| 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 | 35.1 | Very low | 34.6 | Very low | 246 Ų | 246 | 165.5 Ų | 165.5 | 100% | 1.212 | 88% | 0.881 | S | S | * | * | 0 | 126 | 0 | -77.3 | -173.5 | 153.6 | 0 | 0 | 107.9 | |||||
| 2 | S | 39.9 | Very low | 35.1 | Very low | 124 Ų | 124 | 162.4 Ų | 162.4 | 87% | 0.867 | 85% | 0.848 | S | S | * | * | trans | -76.7 | 128.9 | 178.9 | -74.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | E | 33.9 | Very low | 34.6 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 90% | 0.897 | 84% | 0.837 | S | S | * | * | trans | -118.3 | 94.9 | 161.1 | -72.1 | -163.9 | 115.1 | 0 | 0 | 109.4 | ||||
| 4 | K | 41.8 | Very low | 34.9 | Very low | 215 Ų | 215 | 160.7 Ų | 160.7 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | trans | -61.5 | 124.8 | 157.6 | -94.1 | 172 | 168.2 | 170.7 | 0 | 107.6 | ||||
| 5 | K | 33.4 | Very low | 34.6 | Very low | 204 Ų | 204 | 159.1 Ų | 159.1 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -123.3 | 134.9 | 164.1 | -146.1 | 149.4 | -176.9 | 171.7 | 0 | 110.9 | ||||
| 6 | S | 33.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 158.1 Ų | 158.1 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -74.3 | 138.4 | -152.1 | 43.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 7 | R | 35.6 | Very low | 35.3 | Very low | 236 Ų | 236 | 155 Ų | 155 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 134.9 | 162.5 | -67 | 178.4 | 175.7 | -178.7 | -2.4 | 109.1 | S9 | R7-S9 PolarHBondContact O-N 3.16Š| ||
| 8 | P | 29.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -72 | 114.4 | 165.9 | 28.5 | -28.7 | 0 | 0 | 0 | 108.3 | D10 | P8-D10 PolarHBondContact O-N 3.12Š| ||
| 9 | S | 40.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 99.8 | 167.4 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | R7 | R7-S9 PolarHBondContact O-N 3.16Š| ||
| 10 | D | 29.7 | Very low | 35.3 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -126.4 | 77.5 | 157.5 | -135.5 | -15 | 0 | 0 | 0 | 108 | P8 R12 | P8-D10 PolarHBondContact O-N 3.12Å; D10-R12 PolarHBondContact O-N 3.01Å | ||
| 11 | A | 27.7 | Very low | 35.1 | Very low | 89 Ų | 89 | 151.3 Ų | 151.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -74 | 106.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 12 | R | 40.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 49% | 0.487 | 75% | 0.753 | S | S | . | * | trans | -43.4 | 133.8 | 161.6 | -176.5 | 177.9 | -177.8 | 164.6 | -3.5 | 109.5 | D10 K14 D271 | D10-R12 PolarHBondContact O-N 3.01Å; R12-K14 PolarHBondContact O-N 3.2Å; R12-K14 VanDerWaalsContact O-N 3.08Å; R12-D271 VanDerWaalsContact NH1-C 3.27Å; R12-D271 PolarHBondContact NH1-O 2.89Å | ||
| 13 | P | 29 | Very low | 34.5 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | trans | -58.8 | 121 | 175.4 | 21.6 | -30 | 0 | 0 | 0 | 109.4 | N15 | P13-N15 PolarHBondContact O-N 2.9Š| ||
| 14 | K | 38.1 | Very low | 34.5 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -67.7 | 78.1 | 171.6 | -65.1 | 175.9 | -179.3 | 175.2 | 0 | 108.9 | R12 | R12-K14 PolarHBondContact O-N 3.2Å; R12-K14 VanDerWaalsContact O-N 3.08Å |
| 15 | N | 31 | Very low | 34.2 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 171.2 | 102.2 | 159.6 | -96.2 | -37 | 0 | 0 | 0 | 109.6 | P13 | P13-N15 PolarHBondContact O-N 2.9Š| ||
| 16 | L | 37.1 | Very low | 34.4 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -179.3 | 23 | 131.3 | -123.6 | 77.4 | 0 | 0 | 0 | 114.4 | S18 | L16-S18 PolarHBondContact O-N 3.13Š|
| 17 | R | 44.2 | Very low | 34.2 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 40% | 0.396 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -84.5 | 58 | 139 | -73 | -162.3 | -156.4 | -134.8 | 13.1 | 107.5 | W19 D267 Y273 | R17-W19 PolarHBondContact O-N 3.45Å; R17-D267 IonicContact NH1-OD2 3.02Å; R17-Y273 PolarHBondContact NH2-O 3.15Å |
| 18 | S | 31.1 | Very low | 34.2 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 54% | 0.538 | 72% | 0.716 | S | S | . | * | trans | -59.7 | 109.7 | 166.3 | 42.4 | 0 | 0 | 0 | 0 | 105.8 | L16 S20 | L16-S18 PolarHBondContact O-N 3.13Å; S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.04Å | ||
| 19 | W | 42.3 | Very low | 34.2 | Very low | 248 Ų | 248 | 137.3 Ų | 137.3 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | trans | -48.7 | 103.4 | 158.5 | -78.9 | -9 | 0 | 0 | 0 | 107.3 | R17 | R17-W19 PolarHBondContact O-N 3.45Š| ||
| 20 | S | 31.5 | Very low | 33.9 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | trans | -145.8 | 113.7 | 170.7 | -133.8 | 0 | 0 | 0 | 0 | 110.3 | S18 | S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.04Å | ||
| 21 | V | 30.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 69.1 | 64.1 | 156 | -159.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 22 | D | 32.5 | Very low | 33.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 56% | 0.556 | 72% | 0.722 | S | S | * | * | trans | -163.6 | 33.7 | 143.6 | -98.9 | -22.7 | 0 | 0 | 0 | 112.2 | Y24 | D22-Y24 VanDerWaalsContact C-N 3.28Å; D22-Y24 PolarHBondContact O-N 3.39Å | ||
| 23 | S | 30.5 | Very low | 33.6 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -76.9 | 79 | 169.2 | 35.4 | 0 | 0 | 0 | 0 | 110.2 | I25 | S23-I25 VanDerWaalsContact C-N 3.26Å; S23-I25 PolarHBondContact O-N 2.82Å | ||
| 24 | Y | 33.8 | Very low | 33.5 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | -68.8 | 93 | 157.1 | -77.8 | -84.3 | 0 | 0 | 0 | 108.3 | D22 R26 | D22-Y24 VanDerWaalsContact C-N 3.28Å; D22-Y24 PolarHBondContact O-N 3.39Å; Y24-R26 PolarHBondContact O-N 3.36Å | ||
| 25 | I | 35.7 | Very low | 33.2 | Very low | 150 Ų | 150 | 146 Ų | 146 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -52.3 | 103.9 | 167.3 | -62.1 | -83 | 0 | 0 | 0 | 107.7 | S23 S27 | S23-I25 VanDerWaalsContact C-N 3.26Å; S23-I25 PolarHBondContact O-N 2.82Å; I25-S27 PolarHBondContact O-N 3.33Å | ||
| 26 | R | 38 | Very low | 33.2 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -74.4 | 97.6 | 164.8 | -158.1 | 177.9 | -158.6 | 159.6 | 5.7 | 106.8 | Y24 V28 N339 | Y24-R26 PolarHBondContact O-N 3.36Å; R26-V28 VanDerWaalsContact C-N 3.29Å; R26-V28 PolarHBondContact O-N 3.02Å; R26-N339 PolarHBondContact NH1-ND2 2.84Å | ||
| 27 | S | 29.8 | Very low | 32.9 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -65.1 | 92.7 | 166.1 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | I25 K29 | I25-S27 PolarHBondContact O-N 3.33Å; S27-K29 PolarHBondContact O-N 3.13Å | ||
| 28 | V | 35.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -72.1 | 107 | 161.6 | 177.1 | 0 | 0 | 0 | 0 | 106.1 | R26 K30 | R26-V28 VanDerWaalsContact C-N 3.29Å; R26-V28 PolarHBondContact O-N 3.02Å; V28-K30 PolarHBondContact O-N 3.14Å | ||
| 29 | K | 29.8 | Very low | 32.4 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | trans | -56.5 | 97.6 | 173.8 | -171.7 | 164.7 | -179.2 | 171.1 | 0 | 109.1 | S27 R31 | S27-K29 PolarHBondContact O-N 3.13Å; K29-R31 PolarHBondContact O-N 2.85Å | ||
| 30 | K | 33 | Very low | 32.1 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -57.6 | 107.1 | 169.8 | -77.7 | -177.5 | 176.5 | 178.8 | 0 | 108.2 | V28 S32 | V28-K30 PolarHBondContact O-N 3.14Å; K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 2.93Å; K30-S32 VanDerWaalsContact O-N 3.12Å | ||
| 31 | R | 30.3 | Very low | 32.2 | Very low | 240 Ų | 240 | 150.4 Ų | 150.4 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -73.2 | 94 | 159 | -78.3 | -176.4 | 175.8 | -175.5 | -1.3 | 106.5 | K29 R33 | K29-R31 PolarHBondContact O-N 2.85Å; R31-R33 PolarHBondContact O-N 3.06Å; R31-R33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | S | 28.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 107.8 | 167.1 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | K30 | K30-S32 VanDerWaalsContact C-N 3.32Å; K30-S32 PolarHBondContact O-N 2.93Å; K30-S32 VanDerWaalsContact O-N 3.12Å | ||
| 33 | R | 33.5 | Very low | 32 | Very low | 245 Ų | 245 | 155.7 Ų | 155.7 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -85.5 | 112.4 | 155.9 | -76.4 | -178.1 | 171.7 | 174 | -2.7 | 106 | R31 | R31-R33 PolarHBondContact O-N 3.06Å; R31-R33 VanDerWaalsContact O-N 3.16Å | ||
| 34 | G | 28.6 | Very low | 32 | Very low | 63 Ų | 63 | 154.5 Ų | 154.5 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 147.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 35 | P | 31.5 | Very low | 31.9 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 133.4 | 173.4 | 30.3 | -29.4 | 0 | 0 | 0 | 109.7 | ||
| 36 | R | 30.3 | Very low | 31.8 | Very low | 246 Ų | 246 | 152.7 Ų | 152.7 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 124.6 | 164 | -69.6 | -175.7 | 175.6 | -167.9 | -2.1 | 107.2 | ||
| 37 | H | 30.9 | Very low | 31.6 | Very low | 182 Ų | 182 | 149.4 Ų | 149.4 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 121.9 | 169.4 | -111.6 | -83.3 | 0 | 0 | 0 | 108.7 | ||
| 38 | D | 30.3 | Very low | 31.6 | Very low | 154 Ų | 154 | 152 Ų | 152 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 138.8 | 164.9 | -74.3 | -45.4 | 0 | 0 | 0 | 110 | ||
| 39 | A | 33.9 | Very low | 31.4 | Very low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 157.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 40 | P | 37.2 | Very low | 32.2 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | -134.8 | 159.9 | 126.9 | 32.3 | -17.7 | 0 | 0 | 0 | 113.9 | |||||
| 41 | A | 32.5 | Very low | 32.1 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -86.3 | 176.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 42 | R | 32.1 | Very low | 32.1 | Very low | 255 Ų | 255 | 141.2 Ų | 141.2 | 96% | 0.962 | 80% | 0.804 | S | S | * | * | trans | 103.1 | 128 | 175.3 | -62.9 | 178.3 | 172.1 | -157.3 | -3.2 | 111.8 | ||||
| 43 | G | 28 | Very low | 32.2 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | cis | 147.7 | 145.8 | 11.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 44 | G | 30.5 | Very low | 32 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 130.4 | 134.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 45 | E | 31.3 | Very low | 32.1 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -87.8 | 168 | -162.3 | -67.8 | 152 | 114.6 | 0 | 0 | 115.9 | ||||
| 46 | D | 32.5 | Very low | 31.9 | Very low | 141 Ų | 141 | 146.4 Ų | 146.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | 91.5 | 115.7 | 142.9 | -71.9 | -19.2 | 0 | 0 | 0 | 124.6 | ||||
| 47 | V | 33.8 | Very low | 31.7 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 70% | 0.703 | 79% | 0.79 | S | S | * | * | trans | 65.4 | 109.1 | 130.4 | -171.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 48 | D | 29.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | 176.9 | 152.6 | 90.6 | -140.1 | -15.7 | 0 | 0 | 0 | 111.7 | |||||
| 49 | A | 31.3 | Very low | 31.3 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -103.7 | -174.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 50 | P | 47 | Very low | 31 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -141.7 | 176.9 | 6.6 | 40.9 | -19.6 | 0 | 0 | 0 | 117.6 | ||||
| 51 | D | 30.1 | Very low | 30.7 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 53.2 | 119.8 | 145.7 | -94.1 | -31.8 | 0 | 0 | 0 | 122.4 | ||||
| 52 | E | 30.9 | Very low | 30.5 | Very low | 188 Ų | 188 | 140.8 Ų | 140.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | -160.1 | 147 | 96.7 | -100.6 | -152.5 | 127.1 | 0 | 0 | 113.1 | |||||
| 53 | Q | 30.1 | Very low | 30.3 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 147.8 | -175.7 | -72.7 | 153.7 | -11.4 | 0 | 0 | 113.1 | ||||
| 54 | N | 28.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | 178.7 | 160.7 | 92.6 | -150.3 | -4.3 | 0 | 0 | 0 | 112.2 | |||||
| 55 | V | 30.7 | Very low | 30.1 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | trans | -101.1 | 158.2 | -154.2 | 165.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 56 | R | 28.5 | Very low | 29.9 | Very low | 224 Ų | 224 | 151.8 Ų | 151.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 73.6 | 119.3 | 156.7 | -90.4 | 173.4 | 176.5 | 165.5 | 1.9 | 118.8 | ||||
| 57 | S | 25.9 | Very low | 29.7 | Very low | 98 Ų | 98 | 156.6 Ų | 156.6 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | 90 | 135.5 | 59.7 | -61.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 58 | T | 25.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 160.2 Ų | 160.2 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 96.7 | 119.8 | 149.6 | 71 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 59 | S | 26.6 | Very low | 29.2 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | 102.1 | 119.2 | 128.8 | 75.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 60 | C | 28.2 | Very low | 29 | Very low | 125 Ų | 125 | 160.7 Ų | 160.7 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -71 | 154.2 | 161 | -52.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 61 | P | 30.2 | Very low | 28 | Very low | 125 Ų | 125 | 161.3 Ų | 161.3 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -116.5 | 125.8 | 153.7 | 31.5 | -17.9 | 0 | 0 | 0 | 112.7 | ||||
| 62 | Q | 27.9 | Very low | 27.8 | Very low | 190 Ų | 190 | 162.2 Ų | 162.2 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -69.8 | 125.7 | 170.8 | -166.9 | 172.7 | -8.6 | 0 | 0 | 109.7 | ||||
| 63 | R | 28.9 | Very low | 27.9 | Very low | 255 Ų | 255 | 157.6 Ų | 157.6 | 96% | 0.962 | 82% | 0.817 | S | S | * | * | trans | -99.9 | 118.4 | 167.7 | -84.2 | -167.9 | -177.6 | -166.1 | 2.3 | 111 | ||||
| 64 | R | 26.3 | Very low | 28.1 | Very low | 204 Ų | 204 | 158.3 Ų | 158.3 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | trans | -112.6 | 127.8 | -177.4 | 179 | -170.8 | -176.2 | -146.3 | 4.3 | 109.2 | ||||
| 65 | R | 28.5 | Very low | 28 | Very low | 210 Ų | 210 | 154 Ų | 154 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | 59.6 | 150.3 | 156.2 | -83.3 | -173.7 | 172.6 | 175.8 | -2.3 | 117.3 | ||||
| 66 | E | 26.3 | Very low | 28.4 | Very low | 160 Ų | 160 | 157.3 Ų | 157.3 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | cis | -151.7 | 151.4 | 48.8 | -76.8 | -177.5 | 163 | 0 | 0 | 114.2 | ||||
| 67 | R | 28.9 | Very low | 28.8 | Very low | 242 Ų | 242 | 149.8 Ų | 149.8 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -92.4 | 139.6 | 164.2 | -67 | 174.3 | 176 | 146.6 | -1.1 | 108 | ||||
| 68 | K | 26.8 | Very low | 29.3 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -123 | 111.7 | 164 | -126.9 | 123.6 | 172.3 | 178 | 0 | 108.6 | ||||
| 69 | C | 25.2 | Very low | 30.2 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -98 | 129.1 | 160.8 | -72.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 70 | S | 26.7 | Very low | 31 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | trans | -100.2 | 124.6 | 167.4 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 71 | C | 26.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 147 Ų | 147 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -109.3 | 139.7 | 167.6 | 44.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 72 | T | 26.9 | Very low | 31.7 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -116.6 | 144.7 | 163.5 | 37.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 73 | A | 32.6 | Very low | 32.3 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -96.3 | 141.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 74 | I | 33.9 | Very low | 33.1 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 89% | 0.892 | 74% | 0.742 | S | S | * | * | trans | 54.5 | 111.7 | 147.1 | -52.5 | 174.1 | 0 | 0 | 0 | 118.8 | ||||
| 75 | G | 27.8 | Very low | 33.9 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -151.5 | 128.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 76 | D | 39.3 | Very low | 34.7 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 96% | 0.963 | 72% | 0.722 | S | S | * | * | trans | -61.2 | 129.7 | -178.9 | -163.5 | 13 | 0 | 0 | 0 | 110.8 | ||||
| 77 | G | 36.2 | Very low | 35.8 | Very low | 65 Ų | 65 | 123.8 Ų | 123.8 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | trans | 142.8 | 113 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 78 | D | 37 | Very low | 36.9 | Very low | 115 Ų | 115 | 117 Ų | 117 | 62% | 0.615 | 69% | 0.691 | S | S | * | * | trans | 80.5 | 74.6 | 155.1 | -145.4 | 3.6 | 0 | 0 | 0 | 118.5 | D80 S81 | D78-D80 PolarHBondContact O-N 3.39Å; D78-S81 PolarHBondContact O-N 2.94Å | ||
| 79 | I | 44.6 | Very low | 38.2 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -61 | -19.5 | 171.5 | -72.2 | 165.1 | 0 | 0 | 0 | 112.4 | ||
| 80 | D | 41.5 | Very low | 40.1 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 49% | 0.487 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -77.6 | -25.8 | -177.1 | -149.3 | 49.5 | 0 | 0 | 0 | 112.8 | D78 R84 | D78-D80 PolarHBondContact O-N 3.39Å; D80-R84 IonicContact OD2-CZ 2.78Å; D80-R84 IonicContact OD2-NE 3.87Å; D80-R84 IonicContact OD2-NH2 3.96Å; D80-R84 PolarHBondContact OD2-NH2 3.08Å |
| 81 | S | 37.9 | Very low | 42.2 | Very low | 51 Ų | 51 | 115.9 Ų | 115.9 | 36% | 0.357 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -75.7 | -29.6 | 176.1 | -171.9 | 0 | 0 | 0 | 0 | 112.8 | D78 | D78-S81 PolarHBondContact O-N 2.94Å |
| 82 | M | 35.6 | Very low | 43.8 | Very low | 153 Ų | 153 | 117.4 Ų | 117.4 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.1 | -33 | -179.7 | -139.5 | -179.5 | 173.4 | 0 | 0 | 112.3 | A86 | M82-A86 PolarHBondContact O-N 3.03Å |
| 83 | C | 42.2 | Very low | 45.3 | Very low | 66 Ų | 66 | 118.5 Ų | 118.5 | 45% | 0.446 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.3 | -41.7 | 176 | -75.5 | 0 | 0 | 0 | 0 | 112.6 | K85 A86 L87 | C83-K85 VanDerWaalsContact C-N 3.33Å; C83-K85 PolarHBondContact O-N 3.11Å; C83-A86 PolarHBondContact O-N 2.87Å; C83-L87 WeakPolarHBondContact O-CD1 3.44Å; C83-L87 VanDerWaalsContact O-CG 3.23Å; C83-L87 WeakPolarHBondContact O-CG 3.45Å; C83-L87 PolarHBondContact O-N 3.08Å; C83-L87 VanDerWaalsContact O-N 3.16Å |
| 84 | R | 45.7 | Very low | 46.9 | Very low | 173 Ų | 173 | 118.2 Ų | 118.2 | 65% | 0.653 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.8 | -37.4 | 178.8 | -63.4 | -176 | -144.4 | -146.8 | 2.9 | 112.4 | D80 S88 | D80-R84 IonicContact OD2-CZ 2.78Å; D80-R84 IonicContact OD2-NE 3.87Å; D80-R84 IonicContact OD2-NH2 3.96Å; D80-R84 PolarHBondContact OD2-NH2 3.08Å; R84-S88 PolarHBondContact O-N 3.26Å |
| 85 | K | 42.3 | Very low | 48.9 | Very low | 149 Ų | 149 | 114 Ų | 114 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.7 | -32.2 | 178.4 | -71.5 | 174.9 | 180 | 168.5 | 0 | 113 | C83 | C83-K85 VanDerWaalsContact C-N 3.33Å; C83-K85 PolarHBondContact O-N 3.11Å |
| 86 | A | 44.5 | Very low | 50.7 | Low | 59 Ų | 59 | 117.6 Ų | 117.6 | 49% | 0.488 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.2 | -29.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M82 C83 | M82-A86 PolarHBondContact O-N 3.03Å; C83-A86 PolarHBondContact O-N 2.87Å |
| 87 | L | 50.5 | Low | 52 | Low | 57 Ų | 57 | 113 Ų | 113 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -86.3 | -20.8 | -179.1 | -64.5 | 170.3 | 0 | 0 | 0 | 114 | C83 R89 K95 | C83-L87 WeakPolarHBondContact O-CD1 3.44Å; C83-L87 VanDerWaalsContact O-CG 3.23Å; C83-L87 WeakPolarHBondContact O-CG 3.45Å; C83-L87 PolarHBondContact O-N 3.08Å; C83-L87 VanDerWaalsContact O-N 3.16Å; L87-R89 VanDerWaalsContact C-N 3.26Å; L87-R89 PolarHBondContact O-N 3.29Å; L87-K95 WeakPolarHBondContact O-CE 3.47Å; L87-K95 PolarHBondContact O-NZ 3.48Å |
| 88 | S | 51.8 | Low | 53.3 | Low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -21 | 173.1 | 179.7 | 0 | 0 | 0 | 0 | 113 | R84 | R84-S88 PolarHBondContact O-N 3.26Š|
| 89 | R | 52.9 | Low | 54.6 | Low | 228 Ų | 228 | 110 Ų | 110 | 86% | 0.86 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -1.3 | -177 | -71.8 | -175.1 | 167.8 | -110.8 | -1.1 | 115.4 | L87 | L87-R89 VanDerWaalsContact C-N 3.26Å; L87-R89 PolarHBondContact O-N 3.29Å |
| 90 | R | 65.3 | Low | 55.4 | Low | 120 Ų | 120 | 104.7 Ų | 104.7 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -90.4 | 131.7 | -179.3 | -60.6 | -172.3 | -170.4 | -173.2 | 7.9 | 110.6 | Q94 K95 D98 | R90-Q94 HydrophobicContact CB-CB 4.46Å; R90-K95 HydrophobicContact CB-CG 4.1Å; R90-D98 IonicContact NH1-OD2 3.13Å; R90-D98 PolarHBondContact NH1-OD2 3.33Å |
| 91 | S | 70.8 | Confident | 56.3 | Low | 70 Ų | 70 | 102.6 Ų | 102.6 | 49% | 0.49 | 52% | 0.519 | S | S | . | . | trans | -64 | 151 | 174.4 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | R93 Q94 K95 | S91-R93 PolarHBondContact O-N 3.47Å; S91-R93 VanDerWaalsContact O-N 3.14Å; S91-Q94 WeakPolarHBondContact O-CB 3.47Å; S91-Q94 PolarHBondContact O-N 3.13Å; S91-Q94 PolarHBondContact OG-N 2.97Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-K95 VanDerWaalsContact O-N 3.1Å | ||
| 92 | L | 60.3 | Low | 57.1 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 81% | 0.806 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -50.6 | -38.9 | 175.4 | -168.9 | 87.4 | 0 | 0 | 0 | 111.5 | Q94 K95 F96 | L92-Q94 PolarHBondContact O-N 3.06Å; L92-K95 PolarHBondContact O-N 2.95Å; L92-F96 WeakPolarHBondContact O-CB 3.43Å; L92-F96 PolarHBondContact O-N 2.95Å |
| 93 | R | 59.1 | Low | 57.7 | Low | 173 Ų | 173 | 101.8 Ų | 101.8 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | 177.2 | -171 | 174.3 | -174.3 | -91.4 | 4.4 | 112.8 | S91 F96 Q97 | S91-R93 PolarHBondContact O-N 3.47Å; S91-R93 VanDerWaalsContact O-N 3.14Å; R93-F96 PolarHBondContact O-N 3.48Å; R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 VanDerWaalsContact O-CG 3.28Å; R93-Q97 WeakPolarHBondContact O-CG 3.4Å; R93-Q97 PolarHBondContact O-N 3.31Å |
| 94 | Q | 66.6 | Low | 57.9 | Low | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -43.6 | 177.3 | -163.6 | 72 | 49.9 | 0 | 0 | 110.7 | R90 S91 L92 F96 Q97 D98 | R90-Q94 HydrophobicContact CB-CB 4.46Å; S91-Q94 WeakPolarHBondContact O-CB 3.47Å; S91-Q94 PolarHBondContact O-N 3.13Å; S91-Q94 PolarHBondContact OG-N 2.97Å; L92-Q94 PolarHBondContact O-N 3.06Å; Q94-F96 VanDerWaalsContact C-N 3.32Å; Q94-F96 PolarHBondContact O-N 3.16Å; Q94-Q97 PolarHBondContact O-N 3.35Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 PolarHBondContact O-N 2.81Å |
| 95 | K | 75.1 | Confident | 57.9 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 37% | 0.37 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.6 | -63 | -175 | -179.6 | -167.3 | 0 | 111.7 | L87 R90 S91 L92 A99 | L87-K95 WeakPolarHBondContact O-CE 3.47Å; L87-K95 PolarHBondContact O-NZ 3.48Å; R90-K95 HydrophobicContact CB-CG 4.1Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-K95 VanDerWaalsContact O-N 3.1Å; L92-K95 PolarHBondContact O-N 2.95Å; K95-A99 WeakPolarHBondContact O-CB 3.42Å; K95-A99 PolarHBondContact O-N 3.06Å |
| 96 | F | 64.8 | Low | 57.8 | Low | 145 Ų | 145 | 102.1 Ų | 102.1 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -45.2 | 176.2 | -167.7 | -100.1 | 0 | 0 | 0 | 111.7 | L92 R93 Q94 D98 A99 V100 | L92-F96 WeakPolarHBondContact O-CB 3.43Å; L92-F96 PolarHBondContact O-N 2.95Å; R93-F96 PolarHBondContact O-N 3.48Å; Q94-F96 VanDerWaalsContact C-N 3.32Å; Q94-F96 PolarHBondContact O-N 3.16Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.91Å; F96-A99 PolarHBondContact O-N 3.04Å; F96-V100 HydrophobicContact CD1-CG2 3.74Å; F96-V100 HydrophobicContact CD2-CG2 4.36Å; F96-V100 HydrophobicContact CE1-CG2 3.49Å; F96-V100 VanDerWaalsContact CE1-CG2 3.49Å; F96-V100 HydrophobicContact CE2-CG2 4.13Å; F96-V100 HydrophobicContact CG-CG2 4.19Å; F96-V100 HydrophobicContact CZ-CG2 3.69Å; F96-V100 WeakPolarHBondContact O-CB 3.41Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å |
| 97 | Q | 67.3 | Low | 57.5 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 39% | 0.393 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -40.3 | 176.9 | -75.8 | 178.9 | -27.6 | 0 | 0 | 112.7 | R93 Q94 G101 | R93-Q97 WeakPolarHBondContact O-CB 3.37Å; R93-Q97 VanDerWaalsContact O-CG 3.28Å; R93-Q97 WeakPolarHBondContact O-CG 3.4Å; R93-Q97 PolarHBondContact O-N 3.31Å; Q94-Q97 PolarHBondContact O-N 3.35Å; Q97-G101 PolarHBondContact O-N 2.92Å |
| 98 | D | 63.6 | Low | 56.8 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 34% | 0.337 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -43.8 | 176.5 | -67.7 | -10.3 | 0 | 0 | 0 | 110.4 | R90 Q94 F96 Q102 | R90-D98 IonicContact NH1-OD2 3.13Å; R90-D98 PolarHBondContact NH1-OD2 3.33Å; Q94-D98 WeakPolarHBondContact O-CB 3.44Å; Q94-D98 PolarHBondContact O-N 2.81Å; F96-D98 VanDerWaalsContact C-N 3.33Å; F96-D98 PolarHBondContact O-N 2.91Å; D98-Q102 WeakPolarHBondContact O-CG 3.3Å; D98-Q102 PolarHBondContact O-N 3.17Å |
| 99 | A | 63.7 | Low | 55.9 | Low | 52 Ų | 52 | 113.4 Ų | 113.4 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.6 | -45.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | K95 F96 G101 Q102 C103 | K95-A99 WeakPolarHBondContact O-CB 3.42Å; K95-A99 PolarHBondContact O-N 3.06Å; F96-A99 PolarHBondContact O-N 3.04Å; A99-G101 VanDerWaalsContact C-N 3.34Å; A99-G101 PolarHBondContact O-N 3.36Å; A99-Q102 PolarHBondContact O-N 3.17Å; A99-C103 PolarHBondContact O-N 3.23Å |
| 100 | V | 61.9 | Low | 55.1 | Low | 39 Ų | 39 | 111.3 Ų | 111.3 | 24% | 0.236 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -69.1 | -35.4 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | F96 Q102 C103 L104 | F96-V100 HydrophobicContact CD1-CG2 3.74Å; F96-V100 HydrophobicContact CD2-CG2 4.36Å; F96-V100 HydrophobicContact CE1-CG2 3.49Å; F96-V100 VanDerWaalsContact CE1-CG2 3.49Å; F96-V100 HydrophobicContact CE2-CG2 4.13Å; F96-V100 HydrophobicContact CG-CG2 4.19Å; F96-V100 HydrophobicContact CZ-CG2 3.69Å; F96-V100 WeakPolarHBondContact O-CB 3.41Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.88Å; V100-Q102 PolarHBondContact O-N 2.97Å; V100-C103 PolarHBondContact O-N 3.35Å; V100-L104 HydrophobicContact CG1-CB 4.38Å; V100-L104 PolarHBondContact O-N 2.85Å |
| 101 | G | 60.1 | Low | 53.5 | Low | 47 Ų | 47 | 114.7 Ų | 114.7 | 49% | 0.485 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.6 | -22.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q97 A99 | Q97-G101 PolarHBondContact O-N 2.92Å; A99-G101 VanDerWaalsContact C-N 3.34Å; A99-G101 PolarHBondContact O-N 3.36Å |
| 102 | Q | 55 | Low | 51.7 | Low | 92 Ų | 92 | 119.8 Ų | 119.8 | 43% | 0.43 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80.9 | -30.8 | 173.7 | -66.2 | -166.3 | -0.3 | 0 | 0 | 113.1 | D98 A99 V100 W135 | D98-Q102 WeakPolarHBondContact O-CG 3.3Å; D98-Q102 PolarHBondContact O-N 3.17Å; A99-Q102 PolarHBondContact O-N 3.17Å; V100-Q102 PolarHBondContact O-N 2.97Å; Q102-W135 HydrophobicContact CB-CH2 4.26Å; Q102-W135 HydrophobicContact CB-CZ3 4.34Å; Q102-W135 HydrophobicContact CG-CE3 4.47Å; Q102-W135 HydrophobicContact CG-CH2 3.66Å; Q102-W135 HydrophobicContact CG-CZ3 3.5Å |
| 103 | C | 49.4 | Very low | 50.5 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -99.8 | -26.3 | -174.4 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | A99 V100 | A99-C103 PolarHBondContact O-N 3.23Å; V100-C103 PolarHBondContact O-N 3.35Å |
| 104 | L | 46.1 | Very low | 49.3 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -147.8 | 102.6 | -171.6 | -66.1 | 169.6 | 0 | 0 | 0 | 110.3 | V100 L106 | V100-L104 HydrophobicContact CG1-CB 4.38Å; V100-L104 PolarHBondContact O-N 2.85Å; L104-L106 PolarHBondContact O-N 3.01Å |
| 105 | P | 45.6 | Very low | 47.8 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | trans | -72.2 | 97.5 | -179.3 | 25.8 | -30.5 | 0 | 0 | 0 | 111.5 | R107 | P105-R107 PolarHBondContact O-N 2.94Š| ||
| 106 | L | 39.9 | Very low | 45.8 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 81% | 0.812 | 66% | 0.655 | S | S | * | * | trans | -74.3 | 111.6 | 164.2 | -65.4 | 177.9 | 0 | 0 | 0 | 109.1 | L104 G108 | L104-L106 PolarHBondContact O-N 3.01Å; L106-G108 PolarHBondContact O-N 3.33Å | ||
| 107 | R | 38 | Very low | 44.4 | Very low | 222 Ų | 222 | 127.8 Ų | 127.8 | 84% | 0.838 | 66% | 0.655 | S | S | * | * | trans | -66.2 | 100.9 | -178.5 | -161.6 | -179.3 | -172.5 | -176.5 | 2.5 | 110.4 | P105 H109 | P105-R107 PolarHBondContact O-N 2.94Å; R107-H109 PolarHBondContact O-N 3.35Å | ||
| 108 | G | 35.5 | Very low | 42.8 | Very low | 64 Ų | 64 | 130.8 Ų | 130.8 | 66% | 0.66 | 67% | 0.669 | S | S | * | * | trans | -74 | 107.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L106 H110 | L106-G108 PolarHBondContact O-N 3.33Å; G108-H110 PolarHBondContact O-N 2.88Å | ||
| 109 | H | 32.3 | Very low | 41.3 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 69% | 0.692 | S | S | * | * | trans | -64.6 | 111 | 166.6 | -85.9 | 0.9 | 0 | 0 | 0 | 109.8 | R107 | R107-H109 PolarHBondContact O-N 3.35Š| ||
| 110 | H | 36.6 | Very low | 39.9 | Very low | 183 Ų | 183 | 141 Ų | 141 | 85% | 0.847 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 120.7 | 160.4 | -92.9 | 64.2 | 0 | 0 | 0 | 108.3 | G108 H112 | G108-H110 PolarHBondContact O-N 2.88Å; H110-H112 PolarHBondContact O-N 2.85Å |
| 111 | H | 32.9 | Very low | 38.4 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 88% | 0.884 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 125.6 | 170.5 | -92.5 | -46.3 | 0 | 0 | 0 | 110.4 | ||
| 112 | H | 32.8 | Very low | 37 | Very low | 178 Ų | 178 | 153 Ų | 153 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 118.3 | 161.9 | -103 | -0 | 0 | 0 | 0 | 109.2 | H110 | H110-H112 PolarHBondContact O-N 2.85Š|
| 113 | H | 34.3 | Very low | 35.9 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 119.6 | 156.5 | -107.5 | -64.3 | 0 | 0 | 0 | 108.2 | ||
| 114 | H | 33.1 | Very low | 34.8 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 131 | 170.6 | -105.8 | -70.9 | 0 | 0 | 0 | 110 | ||
| 115 | H | 35.2 | Very low | 34.4 | Very low | 194 Ų | 194 | 157.1 Ų | 157.1 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -162.1 | 122.1 | 143.7 | -110.3 | -68.7 | 0 | 0 | 0 | 111.3 | ||||
| 116 | H | 34.5 | Very low | 33.8 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -71.9 | 158.7 | 160.9 | -93.8 | -85.2 | 0 | 0 | 0 | 109.4 | ||||
| 117 | H | 35.5 | Very low | 33.5 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | -165.8 | 151.5 | 19.9 | -127.2 | -45.3 | 0 | 0 | 0 | 111.8 | ||||
| 118 | H | 33 | Very low | 33.4 | Very low | 147 Ų | 147 | 154.7 Ų | 154.7 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | trans | 45 | 122.8 | 148 | -78.5 | -42.9 | 0 | 0 | 0 | 125.8 | ||||
| 119 | H | 32.7 | Very low | 33.3 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | -175.7 | 175.1 | 101.7 | -104.9 | -53.2 | 0 | 0 | 0 | 114.2 | |||||
| 120 | H | 32.9 | Very low | 33.2 | Very low | 154 Ų | 154 | 159.1 Ų | 159.1 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -77.6 | 157.6 | -147.2 | -82.7 | -77.9 | 0 | 0 | 0 | 122 | ||||
| 121 | H | 30.4 | Very low | 33 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | 49.5 | 118.9 | 145 | -89 | -61.9 | 0 | 0 | 0 | 123.6 | ||||
| 122 | H | 30.7 | Very low | 33.2 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | -179.1 | 147.8 | 106.5 | -102.9 | -75.6 | 0 | 0 | 0 | 112.3 | |||||
| 123 | Q | 32.4 | Very low | 33.6 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -83 | 141.9 | -173.8 | -68.8 | 172.2 | 8 | 0 | 0 | 113.6 | ||||
| 124 | S | 27.2 | Very low | 33.9 | Very low | 124 Ų | 124 | 148 Ų | 148 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -176 | 129.2 | 135.3 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 125 | G | 37.4 | Very low | 34.4 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | 40.2 | 99.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 126 | S | 32 | Very low | 34.8 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -145.6 | 126.1 | 155.9 | -172 | 0 | 0 | 0 | 0 | 111.6 | R128 | S126-R128 PolarHBondContact O-N 2.79Å; S126-R128 VanDerWaalsContact O-N 3.17Å | ||
| 127 | S | 33.2 | Very low | 35.7 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -48.3 | 111.2 | 173.3 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | P129 | S127-P129 WeakPolarHBondContact O-CD 3.5Š| ||
| 128 | R | 35.9 | Very low | 36.9 | Very low | 234 Ų | 234 | 144.1 Ų | 144.1 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -67.6 | 121.9 | 165.6 | -69.9 | -177.3 | 170.3 | -170.4 | -3 | 108.2 | S126 F130 | S126-R128 PolarHBondContact O-N 2.79Å; S126-R128 VanDerWaalsContact O-N 3.17Å; R128-F130 PolarHBondContact O-N 2.68Å | ||
| 129 | P | 35.2 | Very low | 38.2 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | -63.8 | 130.1 | 164.5 | 26.8 | -29.5 | 0 | 0 | 0 | 107.6 | S127 S131 | S127-P129 WeakPolarHBondContact O-CD 3.5Å; P129-S131 PolarHBondContact O-N 3.46Å | ||
| 130 | F | 29 | Very low | 39.9 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 91% | 0.908 | 74% | 0.736 | S | S | * | * | trans | -51.9 | 103 | 173.4 | -112.5 | -98 | 0 | 0 | 0 | 108.7 | R128 V132 | R128-F130 PolarHBondContact O-N 2.68Å; F130-V132 PolarHBondContact O-N 3.2Å; F130-V132 VanDerWaalsContact O-N 3.15Å | ||
| 131 | S | 32.3 | Very low | 41.6 | Very low | 89 Ų | 89 | 140 Ų | 140 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | trans | -74.4 | 102.7 | 177.3 | -169 | 0 | 0 | 0 | 0 | 107.6 | P129 L133 | P129-S131 PolarHBondContact O-N 3.46Å; S131-L133 PolarHBondContact O-N 2.86Å; S131-L133 WeakPolarHBondContact OG-CD1 3.37Å; S131-L133 WeakPolarHBondContact OG-CG 3.45Å | ||
| 132 | V | 36.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | -74.6 | 69.8 | 172.5 | -165.1 | 0 | 0 | 0 | 0 | 108.4 | F130 L134 | F130-V132 PolarHBondContact O-N 3.2Å; F130-V132 VanDerWaalsContact O-N 3.15Å; V132-L134 VanDerWaalsContact C-N 3.32Å | ||
| 133 | L | 41.4 | Very low | 45 | Very low | 118 Ų | 118 | 132 Ų | 132 | 62% | 0.618 | 71% | 0.707 | S | S | * | * | trans | -94.3 | 13.2 | 168.9 | -76.2 | 173.3 | 0 | 0 | 0 | 112.4 | S131 W135 | S131-L133 PolarHBondContact O-N 2.86Å; S131-L133 WeakPolarHBondContact OG-CD1 3.37Å; S131-L133 WeakPolarHBondContact OG-CG 3.45Å; L133-W135 PolarHBondContact O-N 3.08Å | ||
| 134 | L | 41.6 | Very low | 46.6 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 93% | 0.927 | 67% | 0.673 | S | S | * | * | trans | -90.3 | 37.5 | 169.2 | -104.4 | 97.7 | 0 | 0 | 0 | 112.5 | V132 | V132-L134 VanDerWaalsContact C-N 3.32Š| ||
| 135 | W | 42.7 | Very low | 48.5 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 45% | 0.451 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -100 | 124.9 | 165.5 | 110 | -72.9 | 0 | 0 | 0 | 107.4 | Q102 L133 K137 | Q102-W135 HydrophobicContact CB-CH2 4.26Å; Q102-W135 HydrophobicContact CB-CZ3 4.34Å; Q102-W135 HydrophobicContact CG-CE3 4.47Å; Q102-W135 HydrophobicContact CG-CH2 3.66Å; Q102-W135 HydrophobicContact CG-CZ3 3.5Å; L133-W135 PolarHBondContact O-N 3.08Å; W135-K137 PolarHBondContact O-N 3.45Å |
| 136 | S | 43.6 | Very low | 49.8 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | trans | -61 | 107 | 178.7 | -169.5 | 0 | 0 | 0 | 0 | 107.9 | R138 | S136-R138 PolarHBondContact O-N 3.41Š| ||
| 137 | K | 53.2 | Low | 51.5 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | trans | -69.2 | 27.2 | 173.9 | -68.8 | -179.6 | 174.9 | 177.8 | 0 | 112.1 | W135 | W135-K137 PolarHBondContact O-N 3.45Š| ||
| 138 | R | 60.8 | Low | 52.8 | Low | 165 Ų | 165 | 124.8 Ų | 124.8 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -77 | 129.8 | 176.2 | -178.6 | 176.4 | 169.5 | 174.6 | -3.9 | 108.1 | S136 I140 E144 | S136-R138 PolarHBondContact O-N 3.41Å; R138-I140 PolarHBondContact O-N 2.85Å; R138-E144 IonicContact CZ-OE1 3.36Å; R138-E144 IonicContact NE-OE1 2.7Å; R138-E144 IonicContact NH2-OE1 3.13Å; R138-E144 PolarHBondContact NH2-OE1 2.89Å; R138-E144 IonicContact NH2-OE2 3.99Å |
| 139 | K | 61.1 | Low | 54.5 | Low | 194 Ų | 194 | 121.9 Ų | 121.9 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 120.6 | 170.3 | -64.3 | 177.6 | 179.9 | 178.3 | 0 | 107.8 | ||
| 140 | I | 67.8 | Low | 56.4 | Low | 70 Ų | 70 | 118.7 Ų | 118.7 | 36% | 0.359 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -84 | 120.6 | 171.5 | -58.8 | 174.8 | 0 | 0 | 0 | 106.5 | R138 E144 L145 P151 F152 | R138-I140 PolarHBondContact O-N 2.85Å; I140-E144 HydrophobicContact CG2-CB 4.09Å; I140-L145 HydrophobicContact CG2-CD2 4.36Å; I140-L145 HydrophobicContact CG2-CG 4.35Å; I140-P151 HydrophobicContact CG2-CB 4.08Å; I140-P151 HydrophobicContact CG2-CG 4.24Å; I140-F152 HydrophobicContact CD1-CD1 3.74Å; I140-F152 HydrophobicContact CD1-CE1 3.61Å |
| 141 | H | 67.9 | Low | 58.5 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 148.8 | 175.8 | -167.3 | -107.3 | 0 | 0 | 0 | 109.9 | S143 E144 | H141-S143 WeakPolarHBondContact ND1-CB 3.36Å; H141-S143 PolarHBondContact ND1-N 3.21Å; H141-S143 PolarHBondContact ND1-OG 3.41Å; H141-S143 PolarHBondContact O-N 2.93Å; H141-S143 VanDerWaalsContact O-N 3.13Å; H141-E144 HydrophobicContact CB-CG 4.28Å; H141-E144 WeakPolarHBondContact O-CB 3.29Å; H141-E144 PolarHBondContact O-N 2.83Å |
| 142 | V | 66.1 | Low | 60.5 | Low | 108 Ų | 108 | 107.9 Ų | 107.9 | 66% | 0.655 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -58.7 | -30 | -178.9 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | E144 L145 | V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 2.58Å; V142-L145 WeakPolarHBondContact O-CB 3.49Å; V142-L145 PolarHBondContact O-N 3.1Å; V142-L145 VanDerWaalsContact O-N 3.15Å |
| 143 | S | 67 | Low | 62.1 | Low | 62 Ų | 62 | 105.9 Ų | 105.9 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -64.7 | -32.2 | 173.6 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | H141 L145 M146 | H141-S143 WeakPolarHBondContact ND1-CB 3.36Å; H141-S143 PolarHBondContact ND1-N 3.21Å; H141-S143 PolarHBondContact ND1-OG 3.41Å; H141-S143 PolarHBondContact O-N 2.93Å; H141-S143 VanDerWaalsContact O-N 3.13Å; S143-L145 PolarHBondContact O-N 2.69Å; S143-M146 WeakPolarHBondContact O-CB 3.39Å; S143-M146 PolarHBondContact O-N 2.76Å |
| 144 | E | 67.3 | Low | 63.1 | Low | 33 Ų | 33 | 105.8 Ų | 105.8 | 15% | 0.154 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -68.4 | -21.2 | 176.4 | -62.2 | -179.5 | -176.6 | 0 | 0 | 111 | R138 I140 H141 V142 M146 P151 | R138-E144 IonicContact CZ-OE1 3.36Å; R138-E144 IonicContact NE-OE1 2.7Å; R138-E144 IonicContact NH2-OE1 3.13Å; R138-E144 PolarHBondContact NH2-OE1 2.89Å; R138-E144 IonicContact NH2-OE2 3.99Å; I140-E144 HydrophobicContact CG2-CB 4.09Å; H141-E144 HydrophobicContact CB-CG 4.28Å; H141-E144 WeakPolarHBondContact O-CB 3.29Å; H141-E144 PolarHBondContact O-N 2.83Å; V142-E144 VanDerWaalsContact C-N 3.32Å; V142-E144 PolarHBondContact O-N 2.58Å; E144-M146 PolarHBondContact O-N 3Å; E144-P151 HydrophobicContact CB-CB 4.27Å |
| 145 | L | 66.9 | Low | 64.2 | Low | 61 Ų | 61 | 106.6 Ų | 106.6 | 32% | 0.319 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -78.4 | -6.3 | 172.5 | -63.1 | 170.6 | 0 | 0 | 0 | 113.3 | I140 V142 S143 P151 F152 W162 | I140-L145 HydrophobicContact CG2-CD2 4.36Å; I140-L145 HydrophobicContact CG2-CG 4.35Å; V142-L145 WeakPolarHBondContact O-CB 3.49Å; V142-L145 PolarHBondContact O-N 3.1Å; V142-L145 VanDerWaalsContact O-N 3.15Å; S143-L145 PolarHBondContact O-N 2.69Å; L145-P151 HydrophobicContact CD2-CG 3.95Å; L145-F152 HydrophobicContact CD2-CE2 3.88Å; L145-F152 HydrophobicContact CD2-CZ 3.53Å; L145-W162 HydrophobicContact CB-CH2 4.37Å; L145-W162 HydrophobicContact CB-CZ3 4.49Å; L145-W162 HydrophobicContact CD2-CH2 4.28Å; L145-W162 HydrophobicContact CD2-CZ3 3.78Å; L145-W162 WeakPolarHBondContact O-CH2 3.24Å |
| 146 | M | 62.9 | Low | 65.5 | Low | 122 Ų | 122 | 102.5 Ų | 102.5 | 60% | 0.601 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -103.9 | -2.1 | 177.1 | -60.7 | -64.6 | -66.8 | 0 | 0 | 111.9 | S143 E144 | S143-M146 WeakPolarHBondContact O-CB 3.39Å; S143-M146 PolarHBondContact O-N 2.76Å; E144-M146 PolarHBondContact O-N 3Å |
| 147 | E | 67.9 | Low | 66.7 | Low | 102 Ų | 102 | 103.4 Ų | 103.4 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -82.4 | 157.6 | -179.4 | -69.1 | 178.5 | -160 | 0 | 0 | 112.6 | K149 | E147-K149 PolarHBondContact O-N 3.17Š|
| 148 | D | 61.9 | Low | 67.7 | Low | 137 Ų | 137 | 98.2 Ų | 98.2 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -69.8 | -21.9 | 179.1 | -70.6 | -38.5 | 0 | 0 | 0 | 113.7 | K166 | D148-K166 IonicContact OD1-NZ 2.63Å; D148-K166 PolarHBondContact OD1-NZ 3.13Å |
| 149 | K | 72.1 | Confident | 68.5 | Low | 173 Ų | 173 | 91.4 Ų | 91.4 | 75% | 0.752 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -94.9 | 132.1 | -179.3 | -67.1 | -177.4 | -179.4 | 179.7 | 0 | 110.3 | E147 P151 | E147-K149 PolarHBondContact O-N 3.17Å; K149-P151 WeakPolarHBondContact O-CD 3.42Å |
| 150 | C | 74.2 | Confident | 68.9 | Low | 50 Ų | 50 | 88.4 Ų | 88.4 | 34% | 0.338 | 47% | 0.465 | S | S | . | . | trans | -62.4 | 118.8 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F152 W162 | C150-F152 PolarHBondContact O-N 3.36Å; C150-F152 PolarHBondContact SG-N 3.42Å; C150-F152 PolarHBondContact SG-O 3.2Å; C150-W162 HydrophobicContact CB-CD2 4.38Å; C150-W162 HydrophobicContact CB-CG 3.92Å | ||
| 151 | P | 72 | Confident | 69.1 | Low | 40 Ų | 40 | 87.9 Ų | 87.9 | 26% | 0.26 | 47% | 0.467 | S | S | . | . | trans | -76.6 | -8.3 | 179.8 | 30.5 | -34.1 | 0 | 0 | 0 | 112.9 | I140 E144 L145 K149 W162 | I140-P151 HydrophobicContact CG2-CB 4.08Å; I140-P151 HydrophobicContact CG2-CG 4.24Å; E144-P151 HydrophobicContact CB-CB 4.27Å; L145-P151 HydrophobicContact CD2-CG 3.95Å; K149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-W162 HydrophobicContact CG-CH2 4.34Å; P151-W162 HydrophobicContact CG-CZ3 4.45Å | ||
| 152 | F | 75.1 | Confident | 69.5 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 13% | 0.132 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -91.1 | 148.6 | -179.5 | -50.1 | -73.4 | 0 | 0 | 0 | 112.4 | I140 L145 C150 S156 L158 W162 | I140-F152 HydrophobicContact CD1-CD1 3.74Å; I140-F152 HydrophobicContact CD1-CE1 3.61Å; L145-F152 HydrophobicContact CD2-CE2 3.88Å; L145-F152 HydrophobicContact CD2-CZ 3.53Å; C150-F152 PolarHBondContact O-N 3.36Å; C150-F152 PolarHBondContact SG-N 3.42Å; C150-F152 PolarHBondContact SG-O 3.2Å; F152-S156 WeakPolarHBondContact CB-OG 3.32Å; F152-L158 HydrophobicContact CB-CB 4.28Å; F152-L158 HydrophobicContact CD1-CB 3.81Å; F152-L158 HydrophobicContact CD1-CD1 3.86Å; F152-L158 HydrophobicContact CD2-CB 3.85Å; F152-L158 HydrophobicContact CE1-CB 4.04Å; F152-L158 HydrophobicContact CE1-CD1 3.57Å; F152-L158 HydrophobicContact CE1-CG 4.42Å; F152-L158 HydrophobicContact CE2-CB 4.09Å; F152-L158 HydrophobicContact CG-CB 3.7Å; F152-L158 HydrophobicContact CZ-CB 4.17Å; F152-L158 HydrophobicContact CZ-CD1 4.1Å; F152-W162 HydrophobicContact CD2-CE3 4.1Å; F152-W162 AromaticContact CE2-CE3 3.65Å; F152-W162 HydrophobicContact CE2-CE3 3.65Å; F152-W162 AromaticContact CE2-CZ3 3.89Å; F152-W162 HydrophobicContact CE2-CZ3 3.89Å |
| 153 | S | 70.2 | Confident | 69.7 | Low | 80 Ų | 80 | 83.5 Ų | 83.5 | 56% | 0.559 | 44% | 0.438 | S | S | * | . | trans | -58.4 | 139.1 | 176 | 175 | 0 | 0 | 0 | 0 | 111.2 | K155 S156 S159 | S153-K155 PolarHBondContact O-N 2.76Å; S153-S156 WeakPolarHBondContact O-CB 3.07Å; S153-S156 PolarHBondContact O-N 2.93Å; S153-S156 PolarHBondContact O-OG 2.96Å; S153-S159 VanDerWaalsContact O-CB 3.27Å; S153-S159 WeakPolarHBondContact O-CB 3.46Å; S153-S159 PolarHBondContact O-OG 2.92Å | ||
| 154 | P | 63.5 | Low | 70 | Confident | 117 Ų | 117 | 84.8 Ų | 84.8 | 76% | 0.76 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -16.2 | -173.2 | -26.7 | 33.4 | 0 | 0 | 0 | 116.3 | S159 | P154-S159 PolarHBondContact O-OG 2.84Š|
| 155 | K | 63.3 | Low | 70.1 | Confident | 194 Ų | 194 | 86.7 Ų | 86.7 | 84% | 0.843 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 8.7 | -178.7 | -61.2 | -174.3 | 177.8 | 179.5 | 0 | 113.8 | S153 | S153-K155 PolarHBondContact O-N 2.76Š|
| 156 | S | 71.8 | Confident | 70.2 | Confident | 33 Ų | 33 | 87.4 Ų | 87.4 | 23% | 0.231 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -91.3 | 150.1 | -177.3 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | F152 S153 L158 S159 Q160 | F152-S156 WeakPolarHBondContact CB-OG 3.32Å; S153-S156 WeakPolarHBondContact O-CB 3.07Å; S153-S156 PolarHBondContact O-N 2.93Å; S153-S156 PolarHBondContact O-OG 2.96Å; S156-L158 PolarHBondContact O-N 2.77Å; S156-S159 PolarHBondContact N-OG 3.37Å; S156-S159 PolarHBondContact O-N 2.8Å; S156-S159 PolarHBondContact O-OG 2.58Å; S156-S159 WeakPolarHBondContact OG-CB 3.36Å; S156-S159 PolarHBondContact OG-N 2.89Å; S156-S159 PolarHBondContact OG-OG 2.92Å; S156-Q160 PolarHBondContact O-N 2.86Å |
| 157 | E | 68.3 | Low | 70.4 | Confident | 111 Ų | 111 | 88 Ų | 88 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 173.1 | -69.8 | -176.9 | 170.5 | 0 | 0 | 111.3 | Q160 C161 | E157-Q160 PolarHBondContact O-N 2.91Å; E157-C161 PolarHBondContact O-N 3.44Å |
| 158 | L | 74.6 | Confident | 70 | Confident | 56 Ų | 56 | 90.2 Ų | 90.2 | 29% | 0.293 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.9 | -36.2 | 177.9 | -65.3 | 176.8 | 0 | 0 | 0 | 113.1 | F152 S156 Q160 C161 W162 | F152-L158 HydrophobicContact CB-CB 4.28Å; F152-L158 HydrophobicContact CD1-CB 3.81Å; F152-L158 HydrophobicContact CD1-CD1 3.86Å; F152-L158 HydrophobicContact CD2-CB 3.85Å; F152-L158 HydrophobicContact CE1-CB 4.04Å; F152-L158 HydrophobicContact CE1-CD1 3.57Å; F152-L158 HydrophobicContact CE1-CG 4.42Å; F152-L158 HydrophobicContact CE2-CB 4.09Å; F152-L158 HydrophobicContact CG-CB 3.7Å; F152-L158 HydrophobicContact CZ-CB 4.17Å; F152-L158 HydrophobicContact CZ-CD1 4.1Å; S156-L158 PolarHBondContact O-N 2.77Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.5Å; L158-C161 CarbonylContact O-C 3.54Å; L158-C161 PolarHBondContact O-N 2.81Å; L158-W162 WeakPolarHBondContact O-CA 3.34Å; L158-W162 PolarHBondContact O-N 3.19Å |
| 159 | S | 75.9 | Confident | 69.8 | Low | 22 Ų | 22 | 85.1 Ų | 85.1 | 15% | 0.154 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 172.6 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | S153 P154 S156 W162 | S153-S159 VanDerWaalsContact O-CB 3.27Å; S153-S159 WeakPolarHBondContact O-CB 3.46Å; S153-S159 PolarHBondContact O-OG 2.92Å; P154-S159 PolarHBondContact O-OG 2.84Å; S156-S159 PolarHBondContact N-OG 3.37Å; S156-S159 PolarHBondContact O-N 2.8Å; S156-S159 PolarHBondContact O-OG 2.58Å; S156-S159 WeakPolarHBondContact OG-CB 3.36Å; S156-S159 PolarHBondContact OG-N 2.89Å; S156-S159 PolarHBondContact OG-OG 2.92Å; S159-W162 WeakPolarHBondContact O-CB 3.32Å; S159-W162 PolarHBondContact O-N 2.85Å |
| 160 | Q | 70.9 | Confident | 68.8 | Low | 130 Ų | 130 | 79.8 Ų | 79.8 | 61% | 0.607 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | 175.9 | -69.5 | 175.8 | -3 | 0 | 0 | 111.5 | S156 E157 L158 H163 | S156-Q160 PolarHBondContact O-N 2.86Å; E157-Q160 PolarHBondContact O-N 2.91Å; L158-Q160 VanDerWaalsContact C-N 3.3Å; L158-Q160 PolarHBondContact O-N 3.5Å; Q160-H163 PolarHBondContact O-CE1 3.37Å; Q160-H163 PolarHBondContact O-ND1 3.33Å |
| 161 | C | 71.1 | Confident | 67.4 | Low | 59 Ų | 59 | 84.4 Ų | 84.4 | 40% | 0.399 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -90.2 | 2.3 | 178.6 | -65.4 | 0 | 0 | 0 | 0 | 114.3 | E157 L158 H163 L164 | E157-C161 PolarHBondContact O-N 3.44Å; L158-C161 CarbonylContact O-C 3.54Å; L158-C161 PolarHBondContact O-N 2.81Å; C161-H163 PolarHBondContact O-N 3.22Å; C161-L164 HydrophobicContact CB-CD1 4.33Å; C161-L164 WeakPolarHBondContact O-CB 3.25Å; C161-L164 PolarHBondContact O-N 2.83Å |
| 162 | W | 76.2 | Confident | 66.1 | Low | 20 Ų | 20 | 90.4 Ų | 90.4 | 8% | 0.076 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -55.4 | -38.2 | -175.2 | 174.8 | -119.9 | 0 | 0 | 0 | 113.4 | L145 C150 P151 F152 L158 S159 L164 I165 K166 | L145-W162 HydrophobicContact CB-CH2 4.37Å; L145-W162 HydrophobicContact CB-CZ3 4.49Å; L145-W162 HydrophobicContact CD2-CH2 4.28Å; L145-W162 HydrophobicContact CD2-CZ3 3.78Å; L145-W162 WeakPolarHBondContact O-CH2 3.24Å; C150-W162 HydrophobicContact CB-CD2 4.38Å; C150-W162 HydrophobicContact CB-CG 3.92Å; P151-W162 HydrophobicContact CG-CH2 4.34Å; P151-W162 HydrophobicContact CG-CZ3 4.45Å; F152-W162 HydrophobicContact CD2-CE3 4.1Å; F152-W162 AromaticContact CE2-CE3 3.65Å; F152-W162 HydrophobicContact CE2-CE3 3.65Å; F152-W162 AromaticContact CE2-CZ3 3.89Å; F152-W162 HydrophobicContact CE2-CZ3 3.89Å; L158-W162 WeakPolarHBondContact O-CA 3.34Å; L158-W162 PolarHBondContact O-N 3.19Å; S159-W162 WeakPolarHBondContact O-CB 3.32Å; S159-W162 PolarHBondContact O-N 2.85Å; W162-L164 VanDerWaalsContact C-N 3.25Å; W162-L164 PolarHBondContact O-N 2.79Å; W162-I165 HydrophobicContact CE3-CB 4.1Å; W162-I165 HydrophobicContact CE3-CD1 4.18Å; W162-I165 HydrophobicContact CE3-CG2 4.21Å; W162-I165 HydrophobicContact CZ3-CB 4.3Å; W162-I165 HydrophobicContact CZ3-CG2 3.89Å; W162-I165 WeakPolarHBondContact O-CB 3.43Å; W162-I165 PolarHBondContact O-N 2.93Å; W162-I165 VanDerWaalsContact O-N 3.13Å; W162-K166 HydrophobicContact CZ2-CG 4.36Å; W162-K166 PolarHBondContact O-N 2.84Å |
| 163 | H | 71.4 | Confident | 64.6 | Low | 122 Ų | 122 | 94.4 Ų | 94.4 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -32 | 177.2 | 65.7 | -77.4 | 0 | 0 | 0 | 113.4 | Q160 C161 K167 | Q160-H163 PolarHBondContact O-CE1 3.37Å; Q160-H163 PolarHBondContact O-ND1 3.33Å; C161-H163 PolarHBondContact O-N 3.22Å; H163-K167 WeakPolarHBondContact O-CB 3.34Å; H163-K167 PolarHBondContact O-N 2.69Å; H163-K167 VanDerWaalsContact O-N 3.09Å |
| 164 | L | 73.5 | Confident | 62.9 | Low | 89 Ų | 89 | 94.9 Ų | 94.9 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.4 | -40.4 | 175.9 | -63.8 | 167.7 | 0 | 0 | 0 | 111.3 | C161 W162 K167 H168 | C161-L164 HydrophobicContact CB-CD1 4.33Å; C161-L164 WeakPolarHBondContact O-CB 3.25Å; C161-L164 PolarHBondContact O-N 2.83Å; W162-L164 VanDerWaalsContact C-N 3.25Å; W162-L164 PolarHBondContact O-N 2.79Å; L164-K167 PolarHBondContact O-N 3.38Å; L164-H168 PolarHBondContact O-CD2 3.45Å; L164-H168 PolarHBondContact O-N 2.86Å |
| 165 | I | 69.1 | Low | 61.6 | Low | 72 Ų | 72 | 94.4 Ų | 94.4 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176.8 | -61.6 | 171.7 | 0 | 0 | 0 | 109.5 | W162 K167 H168 G169 | W162-I165 HydrophobicContact CE3-CB 4.1Å; W162-I165 HydrophobicContact CE3-CD1 4.18Å; W162-I165 HydrophobicContact CE3-CG2 4.21Å; W162-I165 HydrophobicContact CZ3-CB 4.3Å; W162-I165 HydrophobicContact CZ3-CG2 3.89Å; W162-I165 WeakPolarHBondContact O-CB 3.43Å; W162-I165 PolarHBondContact O-N 2.93Å; W162-I165 VanDerWaalsContact O-N 3.13Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 3.47Å; I165-H168 PolarHBondContact O-N 2.87Å; I165-G169 PolarHBondContact O-N 3.06Å; I165-G169 VanDerWaalsContact O-N 3.1Å |
| 166 | K | 69.4 | Low | 60.5 | Low | 76 Ų | 76 | 92.7 Ų | 92.7 | 33% | 0.33 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 177.6 | -121.6 | -155.8 | 175.2 | -161.2 | 0 | 113.2 | D148 W162 H168 G169 A170 | D148-K166 IonicContact OD1-NZ 2.63Å; D148-K166 PolarHBondContact OD1-NZ 3.13Å; W162-K166 HydrophobicContact CZ2-CG 4.36Å; W162-K166 PolarHBondContact O-N 2.84Å; K166-H168 VanDerWaalsContact C-N 3.34Å; K166-H168 PolarHBondContact O-N 3.15Å; K166-G169 PolarHBondContact O-N 2.84Å; K166-A170 WeakPolarHBondContact O-CB 3.26Å; K166-A170 PolarHBondContact O-N 2.94Å |
| 167 | K | 66.6 | Low | 58.6 | Low | 134 Ų | 134 | 97.3 Ų | 97.3 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 178.4 | -170.8 | 177.7 | 179.4 | -178.6 | 0 | 111.5 | H163 L164 I165 H171 | H163-K167 WeakPolarHBondContact O-CB 3.34Å; H163-K167 PolarHBondContact O-N 2.69Å; H163-K167 VanDerWaalsContact O-N 3.09Å; L164-K167 PolarHBondContact O-N 3.38Å; I165-K167 VanDerWaalsContact C-N 3.34Å; I165-K167 PolarHBondContact O-N 3.47Å; K167-H171 PolarHBondContact O-CD2 3Å |
| 168 | H | 58.7 | Low | 56.9 | Low | 150 Ų | 150 | 99.7 Ų | 99.7 | 69% | 0.694 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -77.3 | -25.4 | 178.9 | -76.2 | -76.4 | 0 | 0 | 0 | 113.9 | L164 I165 K166 | L164-H168 PolarHBondContact O-CD2 3.45Å; L164-H168 PolarHBondContact O-N 2.86Å; I165-H168 PolarHBondContact O-N 2.87Å; K166-H168 VanDerWaalsContact C-N 3.34Å; K166-H168 PolarHBondContact O-N 3.15Å |
| 169 | G | 57.9 | Low | 54.7 | Low | 29 Ų | 29 | 105.2 Ų | 105.2 | 30% | 0.299 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.8 | -33.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I165 K166 | I165-G169 PolarHBondContact O-N 3.06Å; I165-G169 VanDerWaalsContact O-N 3.1Å; K166-G169 PolarHBondContact O-N 2.84Å |
| 170 | A | 50.6 | Low | 52.4 | Low | 62 Ų | 62 | 110.1 Ų | 110.1 | 51% | 0.512 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76.6 | -23.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K166 Q172 N173 | K166-A170 WeakPolarHBondContact O-CB 3.26Å; K166-A170 PolarHBondContact O-N 2.94Å; A170-Q172 PolarHBondContact O-N 3.27Å; A170-N173 PolarHBondContact O-N 3.1Å |
| 171 | H | 45.9 | Very low | 50.4 | Low | 146 Ų | 146 | 112.5 Ų | 112.5 | 68% | 0.676 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -11.4 | 179.2 | -83.4 | -67.8 | 0 | 0 | 0 | 114.3 | K167 | K167-H171 PolarHBondContact O-CD2 3Š|
| 172 | Q | 45.2 | Very low | 48.4 | Very low | 167 Ų | 167 | 118.9 Ų | 118.9 | 78% | 0.78 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -20.5 | 171.5 | -69.9 | -165.9 | 12 | 0 | 0 | 113.6 | A170 | A170-Q172 PolarHBondContact O-N 3.27Š|
| 173 | N | 43.1 | Very low | 46 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -0.6 | -170.1 | -73.4 | -2.9 | 0 | 0 | 0 | 114.8 | A170 | A170-N173 PolarHBondContact O-N 3.1Š|
| 174 | A | 34.9 | Very low | 43.8 | Very low | 90 Ų | 90 | 121.5 Ų | 121.5 | 74% | 0.744 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -1.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 175 | S | 35.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 4.3 | -176.9 | -160.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 176 | L | 39.9 | Very low | 39.7 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | -130.7 | 70.3 | -177.9 | -64.9 | 176.1 | 0 | 0 | 0 | 111.5 | ||||
| 177 | V | 32.1 | Very low | 38.9 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 79% | 0.788 | 73% | 0.731 | S | S | * | * | trans | -142.4 | 100.5 | 157.9 | -177 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 178 | L | 31.3 | Very low | 37 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -157.8 | 117.6 | 140.8 | -130 | 110.5 | 0 | 0 | 0 | 111.1 | ||||
| 179 | E | 28.9 | Very low | 35.8 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 72.5 | 134.5 | 151.1 | -58.4 | -64.6 | 110 | 0 | 0 | 122.8 | ||||
| 180 | D | 27.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | -95 | 151.6 | -168.7 | 172.4 | 36.8 | 0 | 0 | 0 | 112 | ||||
| 181 | H | 28.8 | Very low | 33.8 | Very low | 180 Ų | 180 | 131.4 Ų | 131.4 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | trans | -171.8 | 112.1 | 138.3 | -87 | -40.7 | 0 | 0 | 0 | 112.6 | ||||
| 182 | K | 29.6 | Very low | 33.2 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 23.7 | 132 | 142.2 | -107.7 | 172.3 | 172.4 | 171.2 | 0 | 118.5 | ||||
| 183 | S | 26.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | cis | -176.2 | 149.7 | 39.2 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 184 | G | 25.5 | Very low | 32 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 88.6 | 109.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 185 | G | 25.8 | Very low | 31.6 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | trans | 113.7 | 121.9 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 186 | L | 28.8 | Very low | 31.5 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -132.8 | 170.3 | 167.3 | -95.5 | 163.9 | 0 | 0 | 0 | 107.3 | ||||
| 187 | P | 53.4 | Low | 31.2 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -137.1 | 169.4 | -5.7 | 31 | -9.7 | 0 | 0 | 0 | 115.3 | ||||
| 188 | S | 27.5 | Very low | 31.1 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | 168 | 130.7 | 123 | 49.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 189 | S | 33.4 | Very low | 31.2 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 79.6 | 148.9 | 150.2 | -60 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 190 | P | 35.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -101.6 | 136.7 | -144.2 | 36.7 | -29.2 | 0 | 0 | 0 | 113.8 | ||||
| 191 | S | 30.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -98.3 | 109.7 | 174.2 | -55 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 192 | T | 32.3 | Very low | 32 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 25.9 | 130.1 | 134.6 | -4.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 193 | F | 28.5 | Very low | 32 | Very low | 209 Ų | 209 | 127.8 Ų | 127.8 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -29.2 | 129.1 | 165.5 | -105.3 | -107.9 | 0 | 0 | 0 | 115.1 | S195 | F193-S195 PolarHBondContact O-N 2.94Š| ||
| 194 | I | 35 | Very low | 32.6 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -64.6 | 122.4 | 171 | -63.1 | 171.6 | 0 | 0 | 0 | 109.2 | ||||
| 195 | S | 26.7 | Very low | 32.8 | Very low | 74 Ų | 74 | 129 Ų | 129 | 52% | 0.517 | 78% | 0.78 | S | S | . | * | trans | -76.6 | 135.9 | 171 | -178.6 | 0 | 0 | 0 | 0 | 110 | F193 E197 | F193-S195 PolarHBondContact O-N 2.94Å; S195-E197 PolarHBondContact O-N 3.14Å | ||
| 196 | W | 33.9 | Very low | 33.1 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 11.3 | -176.3 | -84.5 | 100.8 | 0 | 0 | 0 | 115.1 | V199 | W196-V199 HydrophobicContact CE3-CG1 4.29Š|
| 197 | E | 34.3 | Very low | 33.2 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -6.7 | -179.4 | -69.2 | 176.9 | 152.2 | 0 | 0 | 113.7 | S195 | S195-E197 PolarHBondContact O-N 3.14Š|
| 198 | E | 29.4 | Very low | 32.4 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -100 | 3 | -176.1 | -147.5 | 172.8 | -173.8 | 0 | 0 | 114.6 | S200 | E198-S200 VanDerWaalsContact C-N 3.35Š|
| 199 | V | 32.5 | Very low | 32.5 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -87.1 | -3.6 | 175 | 75.9 | 0 | 0 | 0 | 0 | 113.3 | W196 | W196-V199 HydrophobicContact CE3-CG1 4.29Š|
| 200 | S | 34.2 | Very low | 32.5 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -99.5 | -1 | -175.9 | -60.5 | 0 | 0 | 0 | 0 | 114.7 | E198 | E198-S200 VanDerWaalsContact C-N 3.35Š|
| 201 | S | 37.2 | Very low | 32.2 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -146.3 | 82.7 | -175 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 202 | N | 30.3 | Very low | 32.6 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 176.3 | 129.5 | 139.4 | -91 | -10.7 | 0 | 0 | 0 | 111 | ||
| 203 | G | 29.8 | Very low | 32.7 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | 102.5 | 68.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S205 | G203-S205 PolarHBondContact O-N 3.29Š| ||
| 204 | A | 40.3 | Very low | 32.9 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -62.5 | 117.3 | 146 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 205 | S | 29.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -150.7 | 112.3 | 154.7 | 69 | 0 | 0 | 0 | 0 | 111.4 | G203 | G203-S205 PolarHBondContact O-N 3.29Š| ||
| 206 | S | 31.7 | Very low | 34.1 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 66.8 | 90.1 | 152.2 | -151.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 207 | L | 31.5 | Very low | 34 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -136.3 | 66.3 | 142.5 | -164.1 | 80.1 | 0 | 0 | 0 | 108.2 | D209 | L207-D209 PolarHBondContact O-N 3.06Š| ||
| 208 | T | 37.4 | Very low | 33.9 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -78.4 | 94 | 170.2 | 47.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 209 | D | 28.6 | Very low | 34.6 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -163.4 | 42 | 151.9 | -120.4 | 6.2 | 0 | 0 | 0 | 112.6 | L207 | L207-D209 PolarHBondContact O-N 3.06Š| ||
| 210 | W | 33.7 | Very low | 34.8 | Very low | 218 Ų | 218 | 132.4 Ų | 132.4 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -113 | 89.1 | 159.4 | -176.5 | -81.1 | 0 | 0 | 0 | 108 | T212 | W210-T212 PolarHBondContact O-N 3.49Å; W210-T212 PolarHBondContact O-OG1 3.49Å | ||
| 211 | D | 28.5 | Very low | 35.2 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -63.5 | 119.1 | 177.3 | -144.2 | -21.7 | 0 | 0 | 0 | 109.4 | S213 | D211-S213 PolarHBondContact OD1-OG 2.94Å; D211-S213 VanDerWaalsContact OD1-OG 3.05Å | ||
| 212 | T | 38.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -105.8 | 37.5 | -167.4 | -40.8 | 0 | 0 | 0 | 0 | 111.7 | W210 | W210-T212 PolarHBondContact O-N 3.49Å; W210-T212 PolarHBondContact O-OG1 3.49Å | ||
| 213 | S | 36 | Very low | 35.7 | Very low | 71 Ų | 71 | 131 Ų | 131 | 50% | 0.497 | 79% | 0.791 | S | S | . | * | trans | -125.1 | 51.5 | -163.2 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | D211 | D211-S213 PolarHBondContact OD1-OG 2.94Å; D211-S213 VanDerWaalsContact OD1-OG 3.05Å | ||
| 214 | F | 32 | Very low | 36.6 | Very low | 211 Ų | 211 | 134.4 Ų | 134.4 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -145.4 | 56.6 | 153 | -81.2 | -74.5 | 0 | 0 | 0 | 111.8 | ||||
| 215 | I | 43.8 | Very low | 37.7 | Very low | 144 Ų | 144 | 130 Ų | 130 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | trans | -84.4 | 118.9 | 145.3 | -64.2 | -76.9 | 0 | 0 | 0 | 104.5 | ||||
| 216 | H | 43.8 | Very low | 40.3 | Very low | 194 Ų | 194 | 129.1 Ų | 129.1 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | trans | 173.4 | 85.3 | 146.4 | -92 | 87.5 | 0 | 0 | 0 | 108 | ||||
| 217 | G | 30.6 | Very low | 43.1 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | trans | -137.5 | 123.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 218 | A | 33.1 | Very low | 46 | Very low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -44.9 | 159.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117 | Q220 | A218-Q220 PolarHBondContact O-N 3.4Š| ||
| 219 | P | 44 | Very low | 48.7 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | -69.9 | 105.2 | -178.4 | 29.6 | -32.9 | 0 | 0 | 0 | 109.9 | C221 | P219-C221 PolarHBondContact O-N 3.11Š| ||
| 220 | Q | 36 | Very low | 51.9 | Low | 176 Ų | 176 | 110.1 Ų | 110.1 | 82% | 0.822 | 62% | 0.617 | S | S | * | * | trans | -83.6 | 102.6 | 163.8 | -84 | 176.8 | -0.9 | 0 | 0 | 108.2 | A218 C222 | A218-Q220 PolarHBondContact O-N 3.4Å; Q220-C222 VanDerWaalsContact C-N 3.35Å; Q220-C222 PolarHBondContact O-N 3.06Å | ||
| 221 | C | 42.9 | Very low | 54.6 | Low | 131 Ų | 131 | 103.7 Ų | 103.7 | 89% | 0.885 | 60% | 0.604 | S | S | * | * | trans | -56.4 | 100.6 | 161.2 | -62.2 | 0 | 0 | 0 | 0 | 108.5 | P219 | P219-C221 PolarHBondContact O-N 3.11Š| ||
| 222 | C | 31.1 | Very low | 57.8 | Low | 86 Ų | 86 | 97.4 Ų | 97.4 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | trans | -133.3 | 132.4 | 164.2 | -67.1 | 0 | 0 | 0 | 0 | 104.8 | Q220 H224 | Q220-C222 VanDerWaalsContact C-N 3.35Å; Q220-C222 PolarHBondContact O-N 3.06Å; C222-H224 HydrophobicContact CB-CB 4.42Å; C222-H224 PolarHBondContact O-N 3.24Å | ||
| 223 | A | 46.1 | Very low | 60.5 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 97% | 0.967 | 54% | 0.538 | S | S | * | . | trans | -67.3 | 62.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 224 | H | 50.4 | Low | 63.4 | Low | 144 Ų | 144 | 90.9 Ų | 90.9 | 67% | 0.667 | 53% | 0.525 | S | S | * | . | trans | -90.2 | 116.3 | -176.8 | -134.7 | 73.1 | 0 | 0 | 0 | 107.4 | C222 D226 | C222-H224 HydrophobicContact CB-CB 4.42Å; C222-H224 PolarHBondContact O-N 3.24Å; H224-D226 PolarHBondContact O-N 3.41Å; H224-D226 VanDerWaalsContact O-N 3.07Å | ||
| 225 | A | 61.6 | Low | 66.6 | Low | 18 Ų | 18 | 86.2 Ų | 86.2 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | trans | -56.9 | 109.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109 | Y227 K380 | A225-Y227 PolarHBondContact O-N 3.19Å; A225-K380 HydrophobicContact CB-CD 3.54Å; A225-K380 HydrophobicContact CB-CG 3.79Å | ||
| 226 | D | 85.6 | Confident | 69.1 | Low | 93 Ų | 93 | 79.4 Ų | 79.4 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 114.2 | 175.3 | -80.7 | -20.2 | 0 | 0 | 0 | 108.7 | H224 C381 | H224-D226 PolarHBondContact O-N 3.41Å; H224-D226 VanDerWaalsContact O-N 3.07Å; D226-C381 HydrophobicContact CB-CB 4.42Å; D226-C381 PolarHBondContact N-O 2.63Å; D226-C381 WeakPolarHBondContact O-CB 3.24Å; D226-C381 PolarHBondContact O-N 3.17Å |
| 227 | Y | 90.1 | Very high | 71.6 | Confident | 99 Ų | 99 | 70.6 Ų | 70.6 | 39% | 0.388 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.3 | 172.7 | -64.1 | -68.3 | 0 | 0 | 0 | 110.2 | A225 Y358 H378 F379 K380 | A225-Y227 PolarHBondContact O-N 3.19Å; Y227-Y358 HydrophobicContact CD2-CE1 4.18Å; Y227-Y358 HydrophobicContact CG-CE1 4.23Å; Y227-Y358 WeakPolarHBondContact O-CB 3.27Å; Y227-H378 AromaticContact CD1-CD2 3.3Å; Y227-H378 WeakPolarHBondContact CD1-CD2 3.46Å; Y227-H378 AromaticContact CD1-NE2 3.6Å; Y227-H378 AromaticContact CE1-CD2 3.94Å; Y227-H378 AromaticContact CE1-NE2 3.76Å; Y227-H378 AromaticContact CG-CD2 3.97Å; Y227-F379 WeakPolarHBondContact CA-O 3.16Å; Y227-K380 HydrophobicContact CD1-CB 4.22Å; Y227-K380 HydrophobicContact CE1-CB 4.16Å |
| 228 | I | 92.3 | Very high | 74.8 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135 | -177.6 | -52.7 | -177.4 | 0 | 0 | 0 | 108.4 | K295 H378 F379 C381 | I228-K295 HydrophobicContact CD1-CG 4.44Å; I228-H378 CarbonylContact O-C 3.43Å; I228-H378 WeakPolarHBondContact O-CA 3.33Å; I228-H378 WeakPolarHBondContact O-CB 3.48Å; I228-F379 HydrophobicContact CB-CD2 4.43Å; I228-F379 HydrophobicContact CB-CE1 4.15Å; I228-F379 HydrophobicContact CB-CE2 3.9Å; I228-F379 HydrophobicContact CB-CZ 3.74Å; I228-F379 HydrophobicContact CD1-CE2 4.23Å; I228-F379 HydrophobicContact CD1-CZ 4.48Å; I228-F379 HydrophobicContact CG1-CE2 4.44Å; I228-F379 HydrophobicContact CG2-CE1 4.16Å; I228-F379 HydrophobicContact CG2-CE2 4.4Å; I228-F379 HydrophobicContact CG2-CZ 3.79Å; I228-F379 PolarHBondContact N-O 3.37Å; I228-F379 WeakPolarHBondContact O-CD1 3.5Å; I228-F379 PolarHBondContact O-N 3.1Å; I228-C381 HydrophobicContact CD1-CB 3.51Å; I228-C381 HydrophobicContact CG1-CB 4.06Å |
| 229 | L | 94.6 | Very high | 77.7 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 147.8 | 171.8 | -65.1 | 173.9 | 0 | 0 | 0 | 110 | P231 C353 T356 Y358 I361 H378 | L229-P231 WeakPolarHBondContact O-CD 3.33Å; L229-P231 VanDerWaalsContact O-N 3.1Å; L229-C353 HydrophobicContact CD1-CB 4.28Å; L229-T356 HydrophobicContact CD1-CG2 4.38Å; L229-Y358 HydrophobicContact CD2-CD2 3.89Å; L229-Y358 HydrophobicContact CG-CD2 4.34Å; L229-I361 HydrophobicContact CD1-CD1 3.83Å; L229-I361 HydrophobicContact CD2-CD1 3.96Å; L229-I361 HydrophobicContact CG-CD1 4.41Å; L229-H378 HydrophobicContact CD2-CB 4.38Å |
| 230 | V | 95.1 | Very high | 80.2 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | trans | -58.4 | 116.5 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | D232 L233 I236 L274 F275 Y377 F379 | V230-D232 VanDerWaalsContact C-N 3.31Å; V230-D232 WeakPolarHBondContact CG1-OD1 3.46Å; V230-D232 PolarHBondContact O-N 2.87Å; V230-L233 HydrophobicContact CB-CB 4.26Å; V230-L233 HydrophobicContact CG1-CB 4.33Å; V230-L233 WeakPolarHBondContact O-CB 3.38Å; V230-L233 PolarHBondContact O-N 3Å; V230-I236 HydrophobicContact CG1-CD1 3.88Å; V230-L274 HydrophobicContact CG2-CD1 3.34Å; V230-F275 HydrophobicContact CG1-CE2 4.04Å; V230-F275 HydrophobicContact CG2-CE2 3.97Å; V230-F275 HydrophobicContact CG2-CZ 4.47Å; V230-Y377 PolarHBondContact N-O 3.42Å; V230-F379 HydrophobicContact CG2-CD1 4.31Å | ||
| 231 | P | 91.3 | Very high | 83.1 | Confident | 84 Ų | 84 | 59.9 Ų | 59.9 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -31 | -168.2 | 25.7 | -34.9 | 0 | 0 | 0 | 112.9 | L229 F297 | L229-P231 WeakPolarHBondContact O-CD 3.33Å; L229-P231 VanDerWaalsContact O-N 3.1Å; P231-F297 HydrophobicContact CG-CE2 4.35Å |
| 232 | D | 95.1 | Very high | 85.8 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 21.5 | -176.8 | 65.6 | -37.4 | 0 | 0 | 0 | 113 | V230 L234 Q235 I236 V312 T313 | V230-D232 VanDerWaalsContact C-N 3.31Å; V230-D232 WeakPolarHBondContact CG1-OD1 3.46Å; V230-D232 PolarHBondContact O-N 2.87Å; D232-L234 PolarHBondContact O-N 3.09Å; D232-L234 VanDerWaalsContact O-N 3.15Å; D232-Q235 HydrophobicContact CB-CB 4.32Å; D232-Q235 HydrophobicContact CB-CG 4.44Å; D232-Q235 WeakPolarHBondContact O-CA 3.4Å; D232-Q235 WeakPolarHBondContact O-CB 3.47Å; D232-Q235 PolarHBondContact O-N 3.1Å; D232-I236 WeakPolarHBondContact O-CG1 3.35Å; D232-I236 PolarHBondContact O-N 3.09Å; D232-V312 PolarHBondContact OD1-N 3.18Å; D232-V312 WeakPolarHBondContact OD2-CA 3.41Å; D232-V312 WeakPolarHBondContact OD2-CB 3.48Å; D232-V312 PolarHBondContact OD2-N 2.93Å; D232-T313 PolarHBondContact OD2-N 3.18Å; D232-T313 PolarHBondContact OD2-OG1 2.79Å |
| 233 | L | 96.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.9 | -37.6 | -177 | -174.6 | 64.2 | 0 | 0 | 0 | 113.4 | V230 N237 F275 C353 Y377 | V230-L233 HydrophobicContact CB-CB 4.26Å; V230-L233 HydrophobicContact CG1-CB 4.33Å; V230-L233 WeakPolarHBondContact O-CB 3.38Å; V230-L233 PolarHBondContact O-N 3Å; L233-N237 WeakPolarHBondContact O-CB 3.27Å; L233-N237 PolarHBondContact O-N 3.45Å; L233-N237 PolarHBondContact O-ND2 3.39Å; L233-F275 HydrophobicContact CD1-CZ 4.29Å; L233-C353 HydrophobicContact CD2-CB 4.03Å; L233-Y377 HydrophobicContact CD1-CD1 4.24Å; L233-Y377 HydrophobicContact CD1-CD2 3.79Å; L233-Y377 HydrophobicContact CD1-CE2 4.23Å; L233-Y377 HydrophobicContact CD1-CG 3.79Å; L233-Y377 HydrophobicContact CD2-CD2 3.8Å; L233-Y377 HydrophobicContact CD2-CG 4.15Å; L233-Y377 HydrophobicContact CG-CD2 4.45Å |
| 234 | L | 96.9 | Very high | 91.4 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 175.2 | -179.8 | 61.2 | 0 | 0 | 0 | 111.8 | D232 N237 N238 A350 L351 | D232-L234 PolarHBondContact O-N 3.09Å; D232-L234 VanDerWaalsContact O-N 3.15Å; L234-N237 PolarHBondContact O-N 2.97Å; L234-N238 VanDerWaalsContact O-CG 3.25Å; L234-N238 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.5Å; L234-A350 HydrophobicContact CD1-CB 4.24Å; L234-L351 HydrophobicContact CD1-CD2 3.62Å; L234-L351 HydrophobicContact CD1-CG 4.07Å; L234-L351 HydrophobicContact CD2-CD2 3.93Å; L234-L351 HydrophobicContact CG-CD2 4.45Å |
| 235 | Q | 97.3 | Very high | 93.5 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 178.3 | -57.1 | -178.3 | 26.7 | 0 | 0 | 111.2 | D232 N237 N238 N239 T313 | D232-Q235 HydrophobicContact CB-CB 4.32Å; D232-Q235 HydrophobicContact CB-CG 4.44Å; D232-Q235 WeakPolarHBondContact O-CA 3.4Å; D232-Q235 WeakPolarHBondContact O-CB 3.47Å; D232-Q235 PolarHBondContact O-N 3.1Å; Q235-N237 VanDerWaalsContact C-N 3.28Å; Q235-N237 PolarHBondContact O-N 3.42Å; Q235-N238 PolarHBondContact O-N 3.43Å; Q235-N239 PolarHBondContact O-N 3.14Å; Q235-T313 HydrophobicContact CB-CG2 3.86Å; Q235-T313 PolarHBondContact OE1-OG1 2.84Å |
| 236 | I | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.3 | -46.1 | 173.2 | -66.8 | 170.2 | 0 | 0 | 0 | 110.3 | V230 D232 N238 N239 Y242 L265 F275 V312 T313 | V230-I236 HydrophobicContact CG1-CD1 3.88Å; D232-I236 WeakPolarHBondContact O-CG1 3.35Å; D232-I236 PolarHBondContact O-N 3.09Å; I236-N238 VanDerWaalsContact C-N 3.35Å; I236-N238 PolarHBondContact O-N 3.23Å; I236-N239 WeakPolarHBondContact O-CB 3.32Å; I236-N239 PolarHBondContact O-N 3.14Å; I236-N239 VanDerWaalsContact O-N 3.16Å; I236-Y242 HydrophobicContact CG2-CD1 3.82Å; I236-Y242 HydrophobicContact CG2-CD2 3.76Å; I236-Y242 HydrophobicContact CG2-CE1 4.13Å; I236-Y242 HydrophobicContact CG2-CE2 4.08Å; I236-Y242 HydrophobicContact CG2-CG 3.62Å; I236-Y242 VanDerWaalsContact O-CB 3.24Å; I236-Y242 WeakPolarHBondContact O-CB 3.37Å; I236-L265 HydrophobicContact CG2-CD2 3.68Å; I236-F275 HydrophobicContact CD1-CE2 3.87Å; I236-F275 HydrophobicContact CD1-CZ 3.91Å; I236-V312 HydrophobicContact CD1-CB 3.76Å; I236-V312 HydrophobicContact CD1-CG1 4.13Å; I236-V312 HydrophobicContact CD1-CG2 4.04Å; I236-V312 HydrophobicContact CG1-CB 4.25Å; I236-V312 HydrophobicContact CG1-CG1 4.43Å; I236-T313 HydrophobicContact CG1-CG2 4.03Å |
| 237 | N | 97 | Very high | 95.6 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.5 | -34.2 | -179.5 | -94.1 | -81.2 | 0 | 0 | 0 | 114.4 | L233 L234 Q235 N239 H346 A350 | L233-N237 WeakPolarHBondContact O-CB 3.27Å; L233-N237 PolarHBondContact O-N 3.45Å; L233-N237 PolarHBondContact O-ND2 3.39Å; L234-N237 PolarHBondContact O-N 2.97Å; Q235-N237 VanDerWaalsContact C-N 3.28Å; Q235-N237 PolarHBondContact O-N 3.42Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N237-H346 PolarHBondContact OD1-CD2 3.34Å; N237-H346 PolarHBondContact OD1-NE2 2.9Å; N237-A350 HydrophobicContact CB-CB 4.03Å |
| 238 | N | 96.1 | Very high | 96 | Very high | 116 Ų | 116 | 43.2 Ų | 43.2 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -77.4 | -16.9 | 175.7 | -67.6 | -19.9 | 0 | 0 | 0 | 112.2 | L234 Q235 I236 P240 | L234-N238 VanDerWaalsContact O-CG 3.25Å; L234-N238 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.5Å; Q235-N238 PolarHBondContact O-N 3.43Å; I236-N238 VanDerWaalsContact C-N 3.35Å; I236-N238 PolarHBondContact O-N 3.23Å; N238-P240 WeakPolarHBondContact O-CD 3.42Å |
| 239 | N | 95.8 | Very high | 96.2 | Very high | 50 Ų | 50 | 47.2 Ų | 47.2 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.4 | 121.2 | 178.2 | -168 | -31.2 | 0 | 0 | 0 | 110.5 | Q235 I236 N237 C241 Y242 | Q235-N239 PolarHBondContact O-N 3.14Å; I236-N239 WeakPolarHBondContact O-CB 3.32Å; I236-N239 PolarHBondContact O-N 3.14Å; I236-N239 VanDerWaalsContact O-N 3.16Å; N237-N239 VanDerWaalsContact C-N 3.28Å; N239-C241 PolarHBondContact O-N 2.67Å; N239-C241 VanDerWaalsContact O-N 3.09Å; N239-C241 PolarHBondContact OD1-N 3.21Å; N239-C241 PolarHBondContact OD1-SG 3.31Å; N239-Y242 PolarHBondContact O-N 3.28Å; N239-Y242 VanDerWaalsContact O-N 3.09Å |
| 240 | P | 95.7 | Very high | 96.3 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 49% | 0.494 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.6 | -179.6 | 26.8 | -36 | 0 | 0 | 0 | 113.3 | N238 Y242 P337 R338 | N238-P240 WeakPolarHBondContact O-CD 3.42Å; P240-Y242 VanDerWaalsContact C-N 3.26Å; P240-Y242 PolarHBondContact O-N 3.46Å; P240-P337 HydrophobicContact CB-CB 4.24Å; P240-P337 CarbonylContact O-C 3.52Å; P240-P337 WeakPolarHBondContact O-CA 3.43Å; P240-R338 WeakPolarHBondContact O-CB 3.48Å; P240-R338 PolarHBondContact O-N 3.29Å |
| 241 | C | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.3 | 177.6 | 84.1 | 0 | 0 | 0 | 0 | 114 | N239 W243 F263 L265 P335 | N239-C241 PolarHBondContact O-N 2.67Å; N239-C241 VanDerWaalsContact O-N 3.09Å; N239-C241 PolarHBondContact OD1-N 3.21Å; N239-C241 PolarHBondContact OD1-SG 3.31Å; C241-W243 VanDerWaalsContact O-CD1 3.29Å; C241-F263 HydrophobicContact CB-CE2 4.32Å; C241-L265 PolarHBondContact O-N 2.92Å; C241-P335 HydrophobicContact CB-CB 3.53Å |
| 242 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -86.6 | 118 | 175.9 | 178.3 | -122.5 | 0 | 0 | 0 | 111.1 | I236 N239 P240 G244 L265 D267 F275 R338 F342 Y377 | I236-Y242 HydrophobicContact CG2-CD1 3.82Å; I236-Y242 HydrophobicContact CG2-CD2 3.76Å; I236-Y242 HydrophobicContact CG2-CE1 4.13Å; I236-Y242 HydrophobicContact CG2-CE2 4.08Å; I236-Y242 HydrophobicContact CG2-CG 3.62Å; I236-Y242 VanDerWaalsContact O-CB 3.24Å; I236-Y242 WeakPolarHBondContact O-CB 3.37Å; N239-Y242 PolarHBondContact O-N 3.28Å; N239-Y242 VanDerWaalsContact O-N 3.09Å; P240-Y242 VanDerWaalsContact C-N 3.26Å; P240-Y242 PolarHBondContact O-N 3.46Å; Y242-G244 VanDerWaalsContact CZ-CA 3.48Å; Y242-L265 WeakPolarHBondContact CA-O 3.36Å; Y242-L265 HydrophobicContact CD2-CB 4.24Å; Y242-L265 HydrophobicContact CD2-CD2 3.8Å; Y242-L265 HydrophobicContact CD2-CG 3.9Å; Y242-L265 HydrophobicContact CG-CD2 4.43Å; Y242-D267 WeakPolarHBondContact CE2-OD1 3.49Å; Y242-D267 PolarHBondContact OH-OD1 3.49Å; Y242-F275 HydrophobicContact CE2-CD1 4.15Å; Y242-F275 AromaticContact CE2-CE1 3.97Å; Y242-F275 HydrophobicContact CE2-CE1 3.97Å; Y242-R338 WeakPolarHBondContact O-CD 3.16Å; Y242-F342 AromaticContact CD1-CE2 3.69Å; Y242-F342 HydrophobicContact CD1-CE2 3.69Å; Y242-F342 AromaticContact CD1-CZ 3.54Å; Y242-F342 HydrophobicContact CD1-CZ 3.54Å; Y242-F342 AromaticContact CE1-CE2 4Å; Y242-F342 HydrophobicContact CE1-CE2 4Å; Y242-F342 AromaticContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CG-CZ 4.46Å; Y242-Y377 PolarHBondContact OH-OH 3.37Å |
| 243 | W | 98.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | trans | -97.1 | -4 | -177.3 | -75.6 | 68.3 | 0 | 0 | 0 | 113.8 | C241 L246 L254 L264 L265 L336 P337 R338 F340 | C241-W243 VanDerWaalsContact O-CD1 3.29Å; W243-L246 HydrophobicContact CB-CB 4.28Å; W243-L246 HydrophobicContact CB-CD2 3.98Å; W243-L246 HydrophobicContact CD2-CD2 4.49Å; W243-L246 HydrophobicContact CG-CD2 4.28Å; W243-L254 HydrophobicContact CD2-CD1 4.15Å; W243-L254 HydrophobicContact CE3-CD1 3.76Å; W243-L254 HydrophobicContact CH2-CD1 3.77Å; W243-L254 HydrophobicContact CH2-CD2 4.04Å; W243-L254 HydrophobicContact CZ2-CD1 4.14Å; W243-L254 HydrophobicContact CZ3-CD1 3.57Å; W243-L254 HydrophobicContact CZ3-CD2 4.3Å; W243-L264 HydrophobicContact CG-CB 4.45Å; W243-L265 PolarHBondContact N-O 2.97Å; W243-L336 HydrophobicContact CZ2-CD2 4.03Å; W243-L336 HydrophobicContact CZ2-CG 4.1Å; W243-L336 PolarHBondContact NE1-O 3.17Å; W243-P337 VanDerWaalsContact CZ2-O 3.32Å; W243-P337 WeakPolarHBondContact CZ2-O 3.36Å; W243-R338 HydrophobicContact CD2-CB 4.3Å; W243-R338 HydrophobicContact CD2-CG 4.22Å; W243-R338 HydrophobicContact CE3-CG 4.3Å; W243-F340 AromaticContact CE3-CE1 3.74Å; W243-F340 HydrophobicContact CE3-CE1 3.74Å; W243-F340 AromaticContact CZ3-CE1 3.99Å; W243-F340 HydrophobicContact CZ3-CE1 3.99Å | ||
| 244 | G | 96.8 | Very high | 97 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 67.9 | -138.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y242 L246 R266 D267 | Y242-G244 VanDerWaalsContact CZ-CA 3.48Å; G244-L246 PolarHBondContact O-N 3.36Å; G244-R266 WeakPolarHBondContact O-CA 3.39Å; G244-D267 PolarHBondContact O-N 2.87Å |
| 245 | V | 95.9 | Very high | 97.1 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69 | 101.1 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 246 | L | 96.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | trans | -138.9 | 130.8 | 177.4 | -173 | 78.3 | 0 | 0 | 0 | 107.9 | W243 G244 E250 A251 L254 L264 R266 | W243-L246 HydrophobicContact CB-CB 4.28Å; W243-L246 HydrophobicContact CB-CD2 3.98Å; W243-L246 HydrophobicContact CD2-CD2 4.49Å; W243-L246 HydrophobicContact CG-CD2 4.28Å; G244-L246 PolarHBondContact O-N 3.36Å; L246-E250 HydrophobicContact CD1-CB 3.64Å; L246-E250 HydrophobicContact CG-CB 4.04Å; L246-A251 HydrophobicContact CD2-CB 3.87Å; L246-L254 HydrophobicContact CD1-CD1 4.32Å; L246-L254 HydrophobicContact CD2-CD1 3.97Å; L246-L264 HydrophobicContact CD2-CD1 3.67Å; L246-L264 HydrophobicContact CD2-CD2 4.15Å; L246-R266 HydrophobicContact CB-CB 3.88Å; L246-R266 HydrophobicContact CD2-CB 4.46Å; L246-R266 WeakPolarHBondContact O-CD 3.48Å; L246-R266 PolarHBondContact O-NH1 2.93Å | ||
| 247 | N | 95.5 | Very high | 97 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -81.9 | 169.7 | 179.3 | 75.8 | 53.8 | 0 | 0 | 0 | 111.6 | F249 E250 A251 | N247-F249 PolarHBondContact O-N 3.43Å; N247-F249 PolarHBondContact OD1-N 3.4Å; N247-E250 PolarHBondContact N-OE2 3.38Å; N247-E250 WeakPolarHBondContact ND2-CG 3.4Å; N247-E250 PolarHBondContact ND2-OE1 3.29Å; N247-E250 PolarHBondContact ND2-OE2 3.02Å; N247-E250 VanDerWaalsContact ND2-OE2 3.08Å; N247-E250 WeakPolarHBondContact OD1-CG 2.98Å; N247-E250 PolarHBondContact OD1-N 3.26Å; N247-A251 PolarHBondContact O-N 3.26Å; N247-A251 VanDerWaalsContact O-N 3.11Å | ||
| 248 | R | 96.6 | Very high | 97 | Very high | 129 Ų | 129 | 63.3 Ų | 63.3 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | -178.6 | -177.8 | -172.7 | 163.7 | 175.7 | -4 | 112.4 | A251 E252 H287 | R248-A251 WeakPolarHBondContact O-CB 3.48Å; R248-A251 PolarHBondContact O-N 3.29Å; R248-E252 IonicContact CZ-OE1 3.37Å; R248-E252 IonicContact NE-OE1 2.84Å; R248-E252 PolarHBondContact NE-OE1 3.45Å; R248-E252 IonicContact NH2-OE1 3.85Å; R248-E252 PolarHBondContact NH2-OE1 2.9Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.43Å; R248-H287 WeakPolarHBondContact CG-NE2 3.43Å; R248-H287 PolarHBondContact NE-CD2 2.64Å; R248-H287 PolarHBondContact NE-NE2 2.86Å |
| 249 | F | 97.3 | Very high | 97 | Very high | 136 Ų | 136 | 60.8 Ų | 60.8 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.5 | -33.7 | -174.9 | -57.6 | -72.9 | 0 | 0 | 0 | 112.5 | N247 E252 Q253 | N247-F249 PolarHBondContact O-N 3.43Å; N247-F249 PolarHBondContact OD1-N 3.4Å; F249-E252 PolarHBondContact O-N 3.19Å; F249-Q253 WeakPolarHBondContact O-CG 3.46Å; F249-Q253 PolarHBondContact O-N 3.33Å; F249-Q253 VanDerWaalsContact O-N 3.13Å; F249-Q253 PolarHBondContact O-NE2 2.69Å; F249-Q253 VanDerWaalsContact O-NE2 3.15Å |
| 250 | E | 97.4 | Very high | 97 | Very high | 85 Ų | 85 | 62.8 Ų | 62.8 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 172 | -71.1 | 169.5 | 159 | 0 | 0 | 111 | L246 N247 E252 Q253 L254 | L246-E250 HydrophobicContact CD1-CB 3.64Å; L246-E250 HydrophobicContact CG-CB 4.04Å; N247-E250 PolarHBondContact N-OE2 3.38Å; N247-E250 WeakPolarHBondContact ND2-CG 3.4Å; N247-E250 PolarHBondContact ND2-OE1 3.29Å; N247-E250 PolarHBondContact ND2-OE2 3.02Å; N247-E250 VanDerWaalsContact ND2-OE2 3.08Å; N247-E250 WeakPolarHBondContact OD1-CG 2.98Å; N247-E250 PolarHBondContact OD1-N 3.26Å; E250-E252 VanDerWaalsContact C-N 3.35Å; E250-Q253 PolarHBondContact O-N 3.09Å; E250-L254 WeakPolarHBondContact O-CG 3.33Å; E250-L254 PolarHBondContact O-N 2.97Å; E250-L254 VanDerWaalsContact O-N 3.08Å |
| 251 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L246 N247 R248 Q253 L254 L255 L264 | L246-A251 HydrophobicContact CD2-CB 3.87Å; N247-A251 PolarHBondContact O-N 3.26Å; N247-A251 VanDerWaalsContact O-N 3.11Å; R248-A251 WeakPolarHBondContact O-CB 3.48Å; R248-A251 PolarHBondContact O-N 3.29Å; A251-Q253 VanDerWaalsContact C-N 3.34Å; A251-Q253 PolarHBondContact O-N 2.91Å; A251-L254 PolarHBondContact O-N 3.01Å; A251-L255 WeakPolarHBondContact O-CB 3.46Å; A251-L255 VanDerWaalsContact O-CG 3.3Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 3.02Å; A251-L264 HydrophobicContact CB-CD1 4.08Å; A251-L264 HydrophobicContact CB-CD2 4.34Å |
| 252 | E | 98.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.5 | -73.6 | 172.5 | 175.3 | 0 | 0 | 111.7 | R248 F249 E250 L255 E256 H287 | R248-E252 IonicContact CZ-OE1 3.37Å; R248-E252 IonicContact NE-OE1 2.84Å; R248-E252 PolarHBondContact NE-OE1 3.45Å; R248-E252 IonicContact NH2-OE1 3.85Å; R248-E252 PolarHBondContact NH2-OE1 2.9Å; R248-E252 WeakPolarHBondContact O-CG 3.3Å; R248-E252 PolarHBondContact O-N 3.43Å; F249-E252 PolarHBondContact O-N 3.19Å; E250-E252 VanDerWaalsContact C-N 3.35Å; E252-L255 PolarHBondContact O-N 2.74Å; E252-E256 PolarHBondContact O-N 2.83Å; E252-H287 WeakPolarHBondContact CG-NE2 3.21Å; E252-H287 IonicContact OE1-NE2 2.9Å; E252-H287 PolarHBondContact OE1-NE2 3.05Å; E252-H287 VanDerWaalsContact OE1-NE2 3.13Å |
| 253 | Q | 98 | Very high | 97.1 | Very high | 134 Ų | 134 | 60 Ų | 60 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.9 | -39.8 | 175.9 | -75.1 | 168.6 | 69.3 | 0 | 0 | 112.9 | F249 E250 A251 L255 E256 | F249-Q253 WeakPolarHBondContact O-CG 3.46Å; F249-Q253 PolarHBondContact O-N 3.33Å; F249-Q253 VanDerWaalsContact O-N 3.13Å; F249-Q253 PolarHBondContact O-NE2 2.69Å; F249-Q253 VanDerWaalsContact O-NE2 3.15Å; E250-Q253 PolarHBondContact O-N 3.09Å; A251-Q253 VanDerWaalsContact C-N 3.34Å; A251-Q253 PolarHBondContact O-N 2.91Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.31Å; Q253-E256 PolarHBondContact O-N 3.17Å |
| 254 | L | 97.8 | Very high | 97.1 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.9 | -31.5 | 177.6 | -71.3 | 172.9 | 0 | 0 | 0 | 112.6 | W243 L246 E250 A251 Q258 L264 L336 | W243-L254 HydrophobicContact CD2-CD1 4.15Å; W243-L254 HydrophobicContact CE3-CD1 3.76Å; W243-L254 HydrophobicContact CH2-CD1 3.77Å; W243-L254 HydrophobicContact CH2-CD2 4.04Å; W243-L254 HydrophobicContact CZ2-CD1 4.14Å; W243-L254 HydrophobicContact CZ3-CD1 3.57Å; W243-L254 HydrophobicContact CZ3-CD2 4.3Å; L246-L254 HydrophobicContact CD1-CD1 4.32Å; L246-L254 HydrophobicContact CD2-CD1 3.97Å; E250-L254 WeakPolarHBondContact O-CG 3.33Å; E250-L254 PolarHBondContact O-N 2.97Å; E250-L254 VanDerWaalsContact O-N 3.08Å; A251-L254 PolarHBondContact O-N 3.01Å; L254-Q258 WeakPolarHBondContact O-CG 3.26Å; L254-L264 HydrophobicContact CB-CD2 4.28Å; L254-L264 HydrophobicContact CD1-CD2 4.13Å; L254-L336 HydrophobicContact CB-CD2 3.9Å |
| 255 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.7 | -9.5 | -179.7 | -67 | 171.1 | 0 | 0 | 0 | 113.3 | A251 E252 Q253 G257 Q258 T262 L264 R280 L336 | A251-L255 WeakPolarHBondContact O-CB 3.46Å; A251-L255 VanDerWaalsContact O-CG 3.3Å; A251-L255 WeakPolarHBondContact O-CG 3.37Å; A251-L255 PolarHBondContact O-N 3.02Å; E252-L255 PolarHBondContact O-N 2.74Å; Q253-L255 VanDerWaalsContact C-N 3.29Å; Q253-L255 PolarHBondContact O-N 3.31Å; L255-G257 PolarHBondContact O-N 3.39Å; L255-Q258 WeakPolarHBondContact O-CB 3.39Å; L255-Q258 PolarHBondContact O-N 3.26Å; L255-Q258 VanDerWaalsContact O-N 3.16Å; L255-T262 HydrophobicContact CD2-CG2 3.87Å; L255-L264 HydrophobicContact CG-CD2 4.34Å; L255-R280 WeakPolarHBondContact O-CD 3.35Å; L255-L336 HydrophobicContact CD2-CD2 4.47Å |
| 256 | E | 97.2 | Very high | 97.3 | Very high | 146 Ų | 146 | 54.6 Ų | 54.6 | 68% | 0.682 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 129.2 | 178.1 | -170.3 | 172.3 | -160.6 | 0 | 0 | 110.5 | E252 Q253 Q258 | E252-E256 PolarHBondContact O-N 2.83Å; Q253-E256 PolarHBondContact O-N 3.17Å; E256-Q258 PolarHBondContact O-N 3.31Å; E256-Q258 VanDerWaalsContact O-N 3.13Å |
| 257 | G | 95.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 53.9 Ų | 53.9 | 73% | 0.732 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 0 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L255 | L255-G257 PolarHBondContact O-N 3.39Š|
| 258 | Q | 97.6 | Very high | 97.4 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 153.6 | 175.2 | -64.3 | -60.3 | -25.2 | 0 | 0 | 111.5 | L254 L255 E256 T262 | L254-Q258 WeakPolarHBondContact O-CG 3.26Å; L255-Q258 WeakPolarHBondContact O-CB 3.39Å; L255-Q258 PolarHBondContact O-N 3.26Å; L255-Q258 VanDerWaalsContact O-N 3.16Å; E256-Q258 PolarHBondContact O-N 3.31Å; E256-Q258 VanDerWaalsContact O-N 3.13Å; Q258-T262 HydrophobicContact CB-CG2 3.91Å; Q258-T262 HydrophobicContact CG-CG2 4.14Å |
| 259 | P | 97 | Very high | 97.2 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 157.8 | 175.5 | 26.6 | -32.6 | 0 | 0 | 0 | 111.5 | T262 | P259-T262 WeakPolarHBondContact CD-OG1 3.39Å; P259-T262 WeakPolarHBondContact CG-OG1 3.47Å; P259-T262 VanDerWaalsContact O-CB 3.26Å; P259-T262 WeakPolarHBondContact O-CB 3.32Å; P259-T262 PolarHBondContact O-N 3.16Å; P259-T262 PolarHBondContact O-OG1 3.34Å |
| 260 | E | 95.8 | Very high | 96.9 | Very high | 92 Ų | 92 | 46.3 Ų | 46.3 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 143.8 | 174.3 | 178.8 | 155.5 | -149.3 | 0 | 0 | 112 | T262 R281 Y282 L331 | E260-T262 VanDerWaalsContact C-N 3.26Å; E260-T262 PolarHBondContact O-N 3.26Å; E260-R281 HydrophobicContact CG-CG 4.43Å; E260-R281 WeakPolarHBondContact OE1-CG 3.28Å; E260-Y282 PolarHBondContact OE1-N 3.28Å; E260-L331 HydrophobicContact CG-CD2 4.1Å |
| 261 | G | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F263 R280 L331 S333 R334 | G261-F263 PolarHBondContact O-N 2.92Å; G261-R280 PolarHBondContact N-O 3.14Å; G261-L331 WeakPolarHBondContact CA-O 3.31Å; G261-S333 WeakPolarHBondContact CA-OG 3.48Å; G261-S333 PolarHBondContact O-N 3.35Å; G261-R334 PolarHBondContact O-N 2.93Å |
| 262 | T | 98.2 | Very high | 96 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 128.1 | 173.9 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | L255 Q258 P259 E260 F279 R280 R334 L336 | L255-T262 HydrophobicContact CD2-CG2 3.87Å; Q258-T262 HydrophobicContact CB-CG2 3.91Å; Q258-T262 HydrophobicContact CG-CG2 4.14Å; P259-T262 WeakPolarHBondContact CD-OG1 3.39Å; P259-T262 WeakPolarHBondContact CG-OG1 3.47Å; P259-T262 VanDerWaalsContact O-CB 3.26Å; P259-T262 WeakPolarHBondContact O-CB 3.32Å; P259-T262 PolarHBondContact O-N 3.16Å; P259-T262 PolarHBondContact O-OG1 3.34Å; E260-T262 VanDerWaalsContact C-N 3.26Å; E260-T262 PolarHBondContact O-N 3.26Å; T262-F279 CarbonylContact O-C 3.46Å; T262-F279 VanDerWaalsContact O-CA 3.25Å; T262-F279 WeakPolarHBondContact O-CA 3.45Å; T262-R280 PolarHBondContact O-N 3.34Å; T262-R334 CarbonylContact C-O 3.55Å; T262-R334 VanDerWaalsContact CA-O 3.24Å; T262-R334 WeakPolarHBondContact CA-O 3.37Å; T262-L336 HydrophobicContact CG2-CB 4.04Å; T262-L336 HydrophobicContact CG2-CD1 4.31Å |
| 263 | F | 98.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 161.8 | -176.1 | 80.3 | -79.9 | 0 | 0 | 0 | 113.7 | C241 G261 V277 S278 F279 L316 L332 R334 P335 L336 | C241-F263 HydrophobicContact CB-CE2 4.32Å; G261-F263 PolarHBondContact O-N 2.92Å; F263-V277 HydrophobicContact CB-CG1 4.28Å; F263-V277 HydrophobicContact CD2-CG1 4.02Å; F263-S278 CarbonylContact C-O 3.51Å; F263-S278 VanDerWaalsContact CA-O 3.24Å; F263-S278 WeakPolarHBondContact CA-O 3.32Å; F263-F279 HydrophobicContact CB-CB 3.66Å; F263-L316 HydrophobicContact CE2-CD1 4.48Å; F263-L332 HydrophobicContact CB-CD2 3.71Å; F263-L332 VanDerWaalsContact CD1-C 3.43Å; F263-L332 HydrophobicContact CD1-CB 3.8Å; F263-L332 HydrophobicContact CD1-CD2 4.5Å; F263-L332 WeakPolarHBondContact CD1-O 3.39Å; F263-L332 HydrophobicContact CD2-CB 4.17Å; F263-L332 HydrophobicContact CD2-CD2 4.09Å; F263-L332 VanDerWaalsContact CE1-C 3.44Å; F263-L332 HydrophobicContact CE1-CB 3.93Å; F263-L332 WeakPolarHBondContact CE1-O 3.28Å; F263-L332 HydrophobicContact CE2-CB 4.29Å; F263-L332 HydrophobicContact CG-CB 3.92Å; F263-L332 HydrophobicContact CG-CD2 3.86Å; F263-L332 HydrophobicContact CG-CG 4.43Å; F263-L332 HydrophobicContact CZ-CB 4.17Å; F263-R334 VanDerWaalsContact CD1-C 3.5Å; F263-R334 WeakPolarHBondContact CD1-O 3.5Å; F263-R334 PolarHBondContact N-O 3.26Å; F263-P335 VanDerWaalsContact CE1-CA 3.46Å; F263-P335 HydrophobicContact CE1-CB 3.84Å; F263-P335 HydrophobicContact CE1-CG 4.46Å; F263-P335 VanDerWaalsContact CE1-N 3.34Å; F263-P335 HydrophobicContact CZ-CB 3.93Å; F263-L336 WeakPolarHBondContact O-CB 3.49Å; F263-L336 PolarHBondContact O-N 3.01Å |
| 264 | L | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 148.2 | 170 | 61.5 | 88.5 | 0 | 0 | 0 | 110.8 | W243 L246 A251 L254 L255 R266 V277 S278 L336 | W243-L264 HydrophobicContact CG-CB 4.45Å; L246-L264 HydrophobicContact CD2-CD1 3.67Å; L246-L264 HydrophobicContact CD2-CD2 4.15Å; A251-L264 HydrophobicContact CB-CD1 4.08Å; A251-L264 HydrophobicContact CB-CD2 4.34Å; L254-L264 HydrophobicContact CB-CD2 4.28Å; L254-L264 HydrophobicContact CD1-CD2 4.13Å; L255-L264 HydrophobicContact CG-CD2 4.34Å; L264-R266 HydrophobicContact CD1-CB 4.07Å; L264-R266 HydrophobicContact CD1-CG 4.06Å; L264-V277 WeakPolarHBondContact O-CA 3.44Å; L264-S278 PolarHBondContact N-O 3.06Å; L264-S278 PolarHBondContact O-N 3.43Å; L264-L336 HydrophobicContact CB-CB 4.42Å; L264-L336 HydrophobicContact CD2-CD2 3.9Å |
| 265 | L | 98.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137.2 | 170.2 | -176.5 | 71.7 | 0 | 0 | 0 | 109 | I236 C241 Y242 W243 F275 V277 I290 V312 L316 | I236-L265 HydrophobicContact CG2-CD2 3.68Å; C241-L265 PolarHBondContact O-N 2.92Å; Y242-L265 WeakPolarHBondContact CA-O 3.36Å; Y242-L265 HydrophobicContact CD2-CB 4.24Å; Y242-L265 HydrophobicContact CD2-CD2 3.8Å; Y242-L265 HydrophobicContact CD2-CG 3.9Å; Y242-L265 HydrophobicContact CG-CD2 4.43Å; W243-L265 PolarHBondContact N-O 2.97Å; L265-F275 HydrophobicContact CD1-CB 4.01Å; L265-V277 HydrophobicContact CD1-CG2 3.84Å; L265-I290 HydrophobicContact CD1-CD1 3.79Å; L265-V312 HydrophobicContact CD1-CG1 4.31Å; L265-V312 HydrophobicContact CD2-CG1 4.07Å; L265-L316 HydrophobicContact CB-CD1 4.42Å; L265-L316 HydrophobicContact CD1-CD1 4.45Å; L265-L316 HydrophobicContact CD2-CD1 4.14Å |
| 266 | R | 98.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 163.7 | 178 | 58.3 | -179 | -171.9 | 70.9 | 5.6 | 111 | G244 L246 L264 F275 S276 S278 | G244-R266 WeakPolarHBondContact O-CA 3.39Å; L246-R266 HydrophobicContact CB-CB 3.88Å; L246-R266 HydrophobicContact CD2-CB 4.46Å; L246-R266 WeakPolarHBondContact O-CD 3.48Å; L246-R266 PolarHBondContact O-NH1 2.93Å; L264-R266 HydrophobicContact CD1-CB 4.07Å; L264-R266 HydrophobicContact CD1-CG 4.06Å; R266-F275 CarbonylContact O-C 3.5Å; R266-F275 WeakPolarHBondContact O-CA 3.16Å; R266-S276 VanDerWaalsContact CG-O 3.32Å; R266-S276 WeakPolarHBondContact CG-O 3.47Å; R266-S276 PolarHBondContact N-O 3.31Å; R266-S276 PolarHBondContact O-N 3.27Å; R266-S276 VanDerWaalsContact O-O 3.14Å; R266-S278 PolarHBondContact NE-OG 3.45Å |
| 267 | D | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 140.4 | 169.3 | -69.6 | 10.2 | 0 | 0 | 0 | 109.4 | R17 Y242 G244 L274 Y377 | R17-D267 IonicContact NH1-OD2 3.02Å; Y242-D267 WeakPolarHBondContact CE2-OD1 3.49Å; Y242-D267 PolarHBondContact OH-OD1 3.49Å; G244-D267 PolarHBondContact O-N 2.87Å; D267-L274 WeakPolarHBondContact CA-O 3.43Å; D267-Y377 PolarHBondContact OD2-OH 2.96Å |
| 268 | S | 96.5 | Very high | 95.8 | Very high | 7 Ų | 7 | 34 Ų | 34 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | trans | -71.9 | 141.9 | 172.3 | -151.3 | 0 | 0 | 0 | 0 | 110 | Y273 L274 S276 | S268-Y273 WeakPolarHBondContact CB-O 3.4Å; S268-L274 PolarHBondContact N-O 3.34Å; S268-S276 WeakPolarHBondContact CB-OG 3.24Å; S268-S276 PolarHBondContact OG-OG 3.49Å | ||
| 269 | A | 91.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 31 Ų | 31 | 68% | 0.678 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -80.8 | -7.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 270 | Q | 90.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 30 Ų | 30 | 36% | 0.355 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -92.1 | 142.7 | 174.2 | -65.7 | -155.9 | -14.4 | 0 | 0 | 110.4 | D272 Y273 | Q270-D272 VanDerWaalsContact C-N 3.3Å; Q270-D272 PolarHBondContact O-N 2.88Å; Q270-Y273 HydrophobicContact CB-CD2 4.05Å; Q270-Y273 PolarHBondContact O-N 3.4Å |
| 271 | D | 87.1 | Confident | 95.8 | Very high | 74 Ų | 74 | 26.4 Ų | 26.4 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -32.1 | -175.3 | -68.5 | -36.3 | 0 | 0 | 0 | 112.3 | R12 Y273 | R12-D271 VanDerWaalsContact NH1-C 3.27Å; R12-D271 PolarHBondContact NH1-O 2.89Å; D271-Y273 PolarHBondContact O-N 3.48Å |
| 272 | D | 89.3 | Confident | 95.8 | Very high | 128 Ų | 128 | 32.2 Ų | 32.2 | 68% | 0.684 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -6.8 | -175 | -56.2 | -27.1 | 0 | 0 | 0 | 113.7 | Q270 | Q270-D272 VanDerWaalsContact C-N 3.3Å; Q270-D272 PolarHBondContact O-N 2.88Å |
| 273 | Y | 93.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | trans | -128.5 | 134.6 | -177.9 | -59.1 | -83.3 | 0 | 0 | 0 | 110.4 | R17 S268 Q270 D271 R289 E291 | R17-Y273 PolarHBondContact NH2-O 3.15Å; S268-Y273 WeakPolarHBondContact CB-O 3.4Å; Q270-Y273 HydrophobicContact CB-CD2 4.05Å; Q270-Y273 PolarHBondContact O-N 3.4Å; D271-Y273 PolarHBondContact O-N 3.48Å; Y273-R289 HydrophobicContact CD1-CB 3.83Å; Y273-R289 HydrophobicContact CD2-CB 4.42Å; Y273-R289 HydrophobicContact CD2-CG 4.44Å; Y273-R289 HydrophobicContact CE1-CB 4.1Å; Y273-R289 VanDerWaalsContact CE2-CD 3.5Å; Y273-R289 HydrophobicContact CG-CB 3.98Å; Y273-R289 HydrophobicContact CG-CG 4.4Å; Y273-E291 HydrophobicContact CD1-CG 4.44Å; Y273-E291 HydrophobicContact CE1-CB 4.22Å; Y273-E291 HydrophobicContact CE1-CG 3.7Å; Y273-E291 WeakPolarHBondContact CE1-OE1 3.29Å; Y273-E291 PolarHBondContact OH-OE1 2.91Å | ||
| 274 | L | 95.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -76.6 | -45.2 | 176.1 | -67.7 | 178.2 | 0 | 0 | 0 | 111.4 | V230 D267 S268 H378 F379 | V230-L274 HydrophobicContact CG2-CD1 3.34Å; D267-L274 WeakPolarHBondContact CA-O 3.43Å; S268-L274 PolarHBondContact N-O 3.34Å; L274-H378 WeakPolarHBondContact CD1-O 3.38Å; L274-F379 HydrophobicContact CD1-CB 4.35Å |
| 275 | F | 97.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 158.5 | -170.9 | -56.7 | -65.3 | 0 | 0 | 0 | 112.7 | V230 L233 I236 Y242 L265 R266 I290 V312 Y377 | V230-F275 HydrophobicContact CG1-CE2 4.04Å; V230-F275 HydrophobicContact CG2-CE2 3.97Å; V230-F275 HydrophobicContact CG2-CZ 4.47Å; L233-F275 HydrophobicContact CD1-CZ 4.29Å; I236-F275 HydrophobicContact CD1-CE2 3.87Å; I236-F275 HydrophobicContact CD1-CZ 3.91Å; Y242-F275 HydrophobicContact CE2-CD1 4.15Å; Y242-F275 AromaticContact CE2-CE1 3.97Å; Y242-F275 HydrophobicContact CE2-CE1 3.97Å; L265-F275 HydrophobicContact CD1-CB 4.01Å; R266-F275 CarbonylContact O-C 3.5Å; R266-F275 WeakPolarHBondContact O-CA 3.16Å; F275-I290 HydrophobicContact CB-CB 4.45Å; F275-I290 HydrophobicContact CB-CD1 4.08Å; F275-I290 HydrophobicContact CB-CG1 4.46Å; F275-I290 PolarHBondContact O-N 3Å; F275-V312 HydrophobicContact CD2-CG2 4.04Å; F275-V312 HydrophobicContact CE2-CG2 4.28Å; F275-Y377 HydrophobicContact CE1-CD1 4.13Å; F275-Y377 AromaticContact CE1-CE1 3.92Å; F275-Y377 HydrophobicContact CE1-CE1 3.92Å; F275-Y377 AromaticContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CE1 4.15Å |
| 276 | S | 97.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 142.9 | 170 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | R266 S268 A288 | R266-S276 VanDerWaalsContact CG-O 3.32Å; R266-S276 WeakPolarHBondContact CG-O 3.47Å; R266-S276 PolarHBondContact N-O 3.31Å; R266-S276 PolarHBondContact O-N 3.27Å; R266-S276 VanDerWaalsContact O-O 3.14Å; S268-S276 WeakPolarHBondContact CB-OG 3.24Å; S268-S276 PolarHBondContact OG-OG 3.49Å; S276-A288 CarbonylContact C-O 3.56Å; S276-A288 VanDerWaalsContact CA-O 3.3Å; S276-A288 WeakPolarHBondContact CA-O 3.46Å |
| 277 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 134.6 | 172.4 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | F263 L264 L265 F279 H287 A288 I290 F299 L316 L332 | F263-V277 HydrophobicContact CB-CG1 4.28Å; F263-V277 HydrophobicContact CD2-CG1 4.02Å; L264-V277 WeakPolarHBondContact O-CA 3.44Å; L265-V277 HydrophobicContact CD1-CG2 3.84Å; V277-F279 HydrophobicContact CG1-CD1 4.36Å; V277-H287 CarbonylContact O-C 3.54Å; V277-H287 VanDerWaalsContact O-CA 3.29Å; V277-H287 WeakPolarHBondContact O-CA 2.72Å; V277-A288 PolarHBondContact N-O 3.25Å; V277-A288 PolarHBondContact O-N 3.26Å; V277-I290 HydrophobicContact CG2-CD1 3.99Å; V277-I290 HydrophobicContact CG2-CG1 4.3Å; V277-F299 HydrophobicContact CB-CE1 4.25Å; V277-F299 HydrophobicContact CB-CZ 4.49Å; V277-F299 HydrophobicContact CG2-CE1 3.83Å; V277-F299 HydrophobicContact CG2-CZ 3.94Å; V277-L316 HydrophobicContact CG2-CD2 3.48Å; V277-L316 VanDerWaalsContact CG2-CD2 3.48Å; V277-L332 HydrophobicContact CG1-CD1 4.14Å; V277-L332 HydrophobicContact CG1-CD2 3.51Å |
| 278 | S | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129 | 170 | -52.6 | 0 | 0 | 0 | 0 | 107.8 | F263 L264 R266 L286 H287 | F263-S278 CarbonylContact C-O 3.51Å; F263-S278 VanDerWaalsContact CA-O 3.24Å; F263-S278 WeakPolarHBondContact CA-O 3.32Å; L264-S278 PolarHBondContact N-O 3.06Å; L264-S278 PolarHBondContact O-N 3.43Å; R266-S278 PolarHBondContact NE-OG 3.45Å; S278-L286 WeakPolarHBondContact CA-O 3.38Å; S278-H287 VanDerWaalsContact CB-ND1 3.34Å; S278-H287 WeakPolarHBondContact CB-ND1 3.49Å; S278-H287 PolarHBondContact OG-ND1 3.17Å |
| 279 | F | 98.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159 | -171.4 | 64 | -82.6 | 0 | 0 | 0 | 111.9 | T262 F263 V277 R281 S285 L286 A288 P330 L332 | T262-F279 CarbonylContact O-C 3.46Å; T262-F279 VanDerWaalsContact O-CA 3.25Å; T262-F279 WeakPolarHBondContact O-CA 3.45Å; F263-F279 HydrophobicContact CB-CB 3.66Å; V277-F279 HydrophobicContact CG1-CD1 4.36Å; F279-R281 HydrophobicContact CD2-CB 4.07Å; F279-R281 HydrophobicContact CE2-CB 3.97Å; F279-S285 WeakPolarHBondContact O-CA 3.33Å; F279-L286 HydrophobicContact CD1-CB 4.37Å; F279-L286 HydrophobicContact CD2-CB 4.3Å; F279-L286 HydrophobicContact CE1-CB 3.86Å; F279-L286 HydrophobicContact CE2-CB 3.8Å; F279-L286 HydrophobicContact CE2-CD1 3.78Å; F279-L286 HydrophobicContact CE2-CG 4.36Å; F279-L286 HydrophobicContact CZ-CB 3.55Å; F279-L286 HydrophobicContact CZ-CD1 4Å; F279-L286 HydrophobicContact CZ-CG 4.43Å; F279-L286 PolarHBondContact N-O 3.27Å; F279-L286 PolarHBondContact O-N 3.45Å; F279-A288 HydrophobicContact CE1-CB 4.17Å; F279-P330 HydrophobicContact CD1-CB 4.28Å; F279-P330 HydrophobicContact CE1-CB 3.91Å; F279-P330 HydrophobicContact CE1-CG 4.34Å; F279-P330 HydrophobicContact CE2-CB 4.38Å; F279-P330 HydrophobicContact CZ-CB 3.97Å; F279-P330 HydrophobicContact CZ-CG 4.37Å; F279-L332 HydrophobicContact CB-CD2 3.86Å; F279-L332 HydrophobicContact CD1-CD2 4.35Å; F279-L332 HydrophobicContact CG-CD2 4.12Å |
| 280 | R | 97.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 16% | 0.158 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.9 | 179.6 | -168.3 | 75 | 175.2 | 164.3 | 2 | 109.7 | L255 G261 T262 S283 R284 S285 | L255-R280 WeakPolarHBondContact O-CD 3.35Å; G261-R280 PolarHBondContact N-O 3.14Å; T262-R280 PolarHBondContact O-N 3.34Å; R280-S283 PolarHBondContact NH1-O 3.05Å; R280-S283 VanDerWaalsContact NH2-C 3.26Å; R280-S283 PolarHBondContact NH2-O 3.25Å; R280-R284 WeakPolarHBondContact CA-O 3.3Å; R280-R284 WeakPolarHBondContact CD-O 3.44Å; R280-R284 VanDerWaalsContact NH1-C 3.33Å; R280-S285 PolarHBondContact NH1-OG 3.02Å |
| 281 | R | 95.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 50 Ų | 50 | 6% | 0.064 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 143 | 175.7 | -155.8 | 179.4 | -175.3 | 165.2 | 6.4 | 110.7 | E260 F279 S283 R284 L286 L326 F327 E329 | E260-R281 HydrophobicContact CG-CG 4.43Å; E260-R281 WeakPolarHBondContact OE1-CG 3.28Å; F279-R281 HydrophobicContact CD2-CB 4.07Å; F279-R281 HydrophobicContact CE2-CB 3.97Å; R281-S283 PolarHBondContact O-N 3.28Å; R281-S283 VanDerWaalsContact O-N 3.17Å; R281-R284 PolarHBondContact N-O 3.33Å; R281-R284 WeakPolarHBondContact O-CA 3.34Å; R281-R284 PolarHBondContact O-N 2.86Å; R281-L286 HydrophobicContact CB-CD1 4.02Å; R281-L326 VanDerWaalsContact CZ-O 3.31Å; R281-L326 PolarHBondContact NH1-O 2.98Å; R281-L326 PolarHBondContact NH2-O 3.5Å; R281-F327 VanDerWaalsContact CZ-O 3.27Å; R281-F327 VanDerWaalsContact NH1-C 3.33Å; R281-F327 PolarHBondContact NH1-O 3.25Å; R281-F327 VanDerWaalsContact NH1-O 3.1Å; R281-E329 PolarHBondContact NH1-O 3.27Å |
| 282 | Y | 94.3 | Very high | 95.8 | Very high | 122 Ų | 122 | 48.9 Ų | 48.9 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 40 | -179.2 | -51.7 | -57.8 | 0 | 0 | 0 | 114.2 | E260 R284 F327 | E260-Y282 PolarHBondContact OE1-N 3.28Å; Y282-R284 PolarHBondContact O-N 3.26Å; Y282-R284 VanDerWaalsContact O-N 3.14Å; Y282-F327 WeakPolarHBondContact CE2-O 3.49Å; Y282-F327 WeakPolarHBondContact OH-CA 3.36Å; Y282-F327 WeakPolarHBondContact OH-CB 3.39Å; Y282-F327 PolarHBondContact OH-O 3.06Å |
| 283 | S | 93.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 69% | 0.692 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 25.5 | -174.6 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | R280 R281 | R280-S283 PolarHBondContact NH1-O 3.05Å; R280-S283 VanDerWaalsContact NH2-C 3.26Å; R280-S283 PolarHBondContact NH2-O 3.25Å; R281-S283 PolarHBondContact O-N 3.28Å; R281-S283 VanDerWaalsContact O-N 3.17Å |
| 284 | R | 96 | Very high | 95.3 | Very high | 179 Ų | 179 | 44.4 Ų | 44.4 | 68% | 0.675 | 22% | 0.221 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.3 | 176.6 | -65.8 | -178.2 | -178.2 | -115.6 | 0.7 | 110.7 | R280 R281 Y282 L286 | R280-R284 WeakPolarHBondContact CA-O 3.3Å; R280-R284 WeakPolarHBondContact CD-O 3.44Å; R280-R284 VanDerWaalsContact NH1-C 3.33Å; R281-R284 PolarHBondContact N-O 3.33Å; R281-R284 WeakPolarHBondContact O-CA 3.34Å; R281-R284 PolarHBondContact O-N 2.86Å; Y282-R284 PolarHBondContact O-N 3.26Å; Y282-R284 VanDerWaalsContact O-N 3.14Å; R284-L286 HydrophobicContact CB-CD2 4.4Å |
| 285 | S | 97.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.3 | 171 | -55.6 | 0 | 0 | 0 | 0 | 107.6 | F279 R280 | F279-S285 WeakPolarHBondContact O-CA 3.33Å; R280-S285 PolarHBondContact NH1-OG 3.02Å |
| 286 | L | 97.3 | Very high | 94.6 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 161.3 | -177.1 | -60.2 | 176.4 | 0 | 0 | 0 | 109.7 | S278 F279 R281 R284 | S278-L286 WeakPolarHBondContact CA-O 3.38Å; F279-L286 HydrophobicContact CD1-CB 4.37Å; F279-L286 HydrophobicContact CD2-CB 4.3Å; F279-L286 HydrophobicContact CE1-CB 3.86Å; F279-L286 HydrophobicContact CE2-CB 3.8Å; F279-L286 HydrophobicContact CE2-CD1 3.78Å; F279-L286 HydrophobicContact CE2-CG 4.36Å; F279-L286 HydrophobicContact CZ-CB 3.55Å; F279-L286 HydrophobicContact CZ-CD1 4Å; F279-L286 HydrophobicContact CZ-CG 4.43Å; F279-L286 PolarHBondContact N-O 3.27Å; F279-L286 PolarHBondContact O-N 3.45Å; R281-L286 HydrophobicContact CB-CD1 4.02Å; R284-L286 HydrophobicContact CB-CD2 4.4Å |
| 287 | H | 97.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.8 | -178.4 | -50.2 | -80 | 0 | 0 | 0 | 110.4 | R248 E252 V277 S278 | R248-H287 WeakPolarHBondContact CG-NE2 3.43Å; R248-H287 PolarHBondContact NE-CD2 2.64Å; R248-H287 PolarHBondContact NE-NE2 2.86Å; E252-H287 WeakPolarHBondContact CG-NE2 3.21Å; E252-H287 IonicContact OE1-NE2 2.9Å; E252-H287 PolarHBondContact OE1-NE2 3.05Å; E252-H287 VanDerWaalsContact OE1-NE2 3.13Å; V277-H287 CarbonylContact O-C 3.54Å; V277-H287 VanDerWaalsContact O-CA 3.29Å; V277-H287 WeakPolarHBondContact O-CA 2.72Å; S278-H287 VanDerWaalsContact CB-ND1 3.34Å; S278-H287 WeakPolarHBondContact CB-ND1 3.49Å; S278-H287 PolarHBondContact OG-ND1 3.17Å |
| 288 | A | 96.5 | Very high | 94.3 | Very high | 16 Ų | 16 | 56.4 Ų | 56.4 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | S276 V277 F279 F299 P330 | S276-A288 CarbonylContact C-O 3.56Å; S276-A288 VanDerWaalsContact CA-O 3.3Å; S276-A288 WeakPolarHBondContact CA-O 3.46Å; V277-A288 PolarHBondContact N-O 3.25Å; V277-A288 PolarHBondContact O-N 3.26Å; F279-A288 HydrophobicContact CE1-CB 4.17Å; A288-F299 HydrophobicContact CB-CD1 3.46Å; A288-F299 VanDerWaalsContact CB-CD1 3.46Å; A288-F299 HydrophobicContact CB-CE1 3.76Å; A288-F299 HydrophobicContact CB-CG 4.23Å; A288-P330 HydrophobicContact CB-CG 4.16Å |
| 289 | R | 96.6 | Very high | 94.2 | Very high | 103 Ų | 103 | 57.6 Ų | 57.6 | 39% | 0.389 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 142.7 | 173.3 | -58.4 | -169.2 | -167.6 | 118.7 | 13.4 | 108.3 | Y273 | Y273-R289 HydrophobicContact CD1-CB 3.83Å; Y273-R289 HydrophobicContact CD2-CB 4.42Å; Y273-R289 HydrophobicContact CD2-CG 4.44Å; Y273-R289 HydrophobicContact CE1-CB 4.1Å; Y273-R289 VanDerWaalsContact CE2-CD 3.5Å; Y273-R289 HydrophobicContact CG-CB 3.98Å; Y273-R289 HydrophobicContact CG-CG 4.4Å |
| 290 | I | 96.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | trans | -90.2 | 112.3 | 174.7 | -57.2 | -176.5 | 0 | 0 | 0 | 106.5 | L265 F275 V277 F297 F299 V312 L315 | L265-I290 HydrophobicContact CD1-CD1 3.79Å; F275-I290 HydrophobicContact CB-CB 4.45Å; F275-I290 HydrophobicContact CB-CD1 4.08Å; F275-I290 HydrophobicContact CB-CG1 4.46Å; F275-I290 PolarHBondContact O-N 3Å; V277-I290 HydrophobicContact CG2-CD1 3.99Å; V277-I290 HydrophobicContact CG2-CG1 4.3Å; I290-F297 HydrophobicContact CG2-CB 3.88Å; I290-F297 HydrophobicContact CG2-CD1 3.98Å; I290-F297 HydrophobicContact CG2-CG 4.33Å; I290-F299 HydrophobicContact CD1-CE1 4.49Å; I290-F299 HydrophobicContact CG1-CD1 4.31Å; I290-F299 HydrophobicContact CG1-CE1 3.8Å; I290-V312 HydrophobicContact CD1-CG1 3.64Å; I290-L315 HydrophobicContact CD1-CD2 4.41Å; I290-L315 HydrophobicContact CG1-CD2 4.42Å; I290-L315 HydrophobicContact CG2-CD2 3.83Å | ||
| 291 | E | 94.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 60 Ų | 60 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 156.3 | 175.8 | -40.2 | -151.2 | 125.4 | 0 | 0 | 109.3 | Y273 F297 S298 C301 | Y273-E291 HydrophobicContact CD1-CG 4.44Å; Y273-E291 HydrophobicContact CE1-CB 4.22Å; Y273-E291 HydrophobicContact CE1-CG 3.7Å; Y273-E291 WeakPolarHBondContact CE1-OE1 3.29Å; Y273-E291 PolarHBondContact OH-OE1 2.91Å; E291-F297 VanDerWaalsContact O-CA 3.32Å; E291-F297 WeakPolarHBondContact O-CA 3.34Å; E291-S298 PolarHBondContact N-O 3.06Å; E291-S298 PolarHBondContact O-N 2.9Å; E291-C301 HydrophobicContact CB-CB 4.28Å; E291-C301 PolarHBondContact OE2-N 3.28Å; E291-C301 PolarHBondContact OE2-SG 3Å |
| 292 | Q | 90.4 | Very high | 92.7 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 24% | 0.238 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.9 | 174.4 | 164.5 | -87.5 | -35.3 | 0 | 0 | 109.6 | G294 R296 F297 F379 K380 | Q292-G294 PolarHBondContact NE2-O 3.47Å; Q292-R296 VanDerWaalsContact CA-O 3.29Å; Q292-R296 WeakPolarHBondContact CA-O 3.31Å; Q292-F297 HydrophobicContact CB-CD1 3.94Å; Q292-F297 HydrophobicContact CB-CE1 3.99Å; Q292-F297 HydrophobicContact CG-CE1 4.27Å; Q292-F379 HydrophobicContact CG-CB 4.37Å; Q292-F379 HydrophobicContact CG-CD2 3.49Å; Q292-F379 VanDerWaalsContact CG-CD2 3.49Å; Q292-F379 HydrophobicContact CG-CE2 3.82Å; Q292-F379 HydrophobicContact CG-CG 3.95Å; Q292-K380 PolarHBondContact NE2-O 2.99Å; Q292-K380 VanDerWaalsContact NE2-O 3.09Å; Q292-K380 PolarHBondContact OE1-O 3.33Å; Q292-K380 VanDerWaalsContact OE1-O 3.05Å |
| 293 | S | 87.3 | Confident | 92.4 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 117.6 | 174.9 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | K295 R296 | S293-K295 PolarHBondContact O-N 3.16Å; S293-R296 PolarHBondContact N-O 3.02Å; S293-R296 PolarHBondContact O-N 3.02Å |
| 294 | G | 85.6 | Confident | 91.9 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -115.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q292 | Q292-G294 PolarHBondContact NE2-O 3.47Š|
| 295 | K | 86.4 | Confident | 91.3 | Very high | 149 Ų | 149 | 64 Ų | 64 | 65% | 0.648 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 21.1 | 176.6 | -63.8 | -179.5 | -178.9 | 176.3 | 0 | 112.9 | I228 S293 | I228-K295 HydrophobicContact CD1-CG 4.44Å; S293-K295 PolarHBondContact O-N 3.16Å |
| 296 | R | 92.2 | Very high | 90.8 | Very high | 129 Ų | 129 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152 | -174.8 | -63.1 | -177.9 | 178.5 | -98.3 | 0.1 | 112.2 | Q292 S293 R308 D309 V310 | Q292-R296 VanDerWaalsContact CA-O 3.29Å; Q292-R296 WeakPolarHBondContact CA-O 3.31Å; S293-R296 PolarHBondContact N-O 3.02Å; S293-R296 PolarHBondContact O-N 3.02Å; R296-R308 HydrophobicContact CB-CB 4.11Å; R296-D309 CarbonylContact C-O 3.6Å; R296-D309 WeakPolarHBondContact CA-O 3.43Å; R296-D309 WeakPolarHBondContact CB-O 3.42Å; R296-V310 HydrophobicContact CG-CG1 4.43Å |
| 297 | F | 94.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.2 | 178.9 | -60 | -79.8 | 0 | 0 | 0 | 110.6 | P231 I290 E291 Q292 R308 D309 V310 V312 L315 F379 | P231-F297 HydrophobicContact CG-CE2 4.35Å; I290-F297 HydrophobicContact CG2-CB 3.88Å; I290-F297 HydrophobicContact CG2-CD1 3.98Å; I290-F297 HydrophobicContact CG2-CG 4.33Å; E291-F297 VanDerWaalsContact O-CA 3.32Å; E291-F297 WeakPolarHBondContact O-CA 3.34Å; Q292-F297 HydrophobicContact CB-CD1 3.94Å; Q292-F297 HydrophobicContact CB-CE1 3.99Å; Q292-F297 HydrophobicContact CG-CE1 4.27Å; F297-R308 WeakPolarHBondContact O-CA 3.32Å; F297-D309 PolarHBondContact N-O 2.95Å; F297-D309 PolarHBondContact O-N 3.24Å; F297-V310 WeakPolarHBondContact CE2-O 3.44Å; F297-V312 HydrophobicContact CD1-CG2 4.05Å; F297-V312 HydrophobicContact CD2-CG2 4.19Å; F297-V312 HydrophobicContact CE1-CG2 4.19Å; F297-V312 HydrophobicContact CE2-CG2 4.33Å; F297-V312 HydrophobicContact CG-CG2 4.05Å; F297-V312 HydrophobicContact CZ-CG2 4.33Å; F297-L315 HydrophobicContact CB-CD2 4.13Å; F297-F379 HydrophobicContact CE1-CD1 4.36Å; F297-F379 HydrophobicContact CE1-CE1 4.46Å; F297-F379 HydrophobicContact CZ-CD1 4.1Å; F297-F379 AromaticContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CZ 4.33Å |
| 298 | S | 95.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 172.2 | 174.8 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | E291 D300 Y307 | E291-S298 PolarHBondContact N-O 3.06Å; E291-S298 PolarHBondContact O-N 2.9Å; S298-D300 VanDerWaalsContact OG-C 3.31Å; S298-D300 PolarHBondContact OG-O 3.26Å; S298-Y307 VanDerWaalsContact CB-O 3.31Å; S298-Y307 WeakPolarHBondContact CB-O 3.48Å |
| 299 | F | 94.6 | Very high | 90.3 | Very high | 25 Ų | 25 | 66.3 Ų | 66.3 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -87.7 | -17.6 | 174.5 | -69.4 | -63.7 | 0 | 0 | 0 | 113.8 | V277 A288 I290 L315 Y319 P330 L332 | V277-F299 HydrophobicContact CB-CE1 4.25Å; V277-F299 HydrophobicContact CB-CZ 4.49Å; V277-F299 HydrophobicContact CG2-CE1 3.83Å; V277-F299 HydrophobicContact CG2-CZ 3.94Å; A288-F299 HydrophobicContact CB-CD1 3.46Å; A288-F299 VanDerWaalsContact CB-CD1 3.46Å; A288-F299 HydrophobicContact CB-CE1 3.76Å; A288-F299 HydrophobicContact CB-CG 4.23Å; I290-F299 HydrophobicContact CD1-CE1 4.49Å; I290-F299 HydrophobicContact CG1-CD1 4.31Å; I290-F299 HydrophobicContact CG1-CE1 3.8Å; F299-L315 HydrophobicContact CD2-CD1 4.44Å; F299-L315 HydrophobicContact CD2-CD2 4.49Å; F299-L315 HydrophobicContact CE2-CD1 4.35Å; F299-L315 HydrophobicContact CE2-CD2 4.22Å; F299-L315 HydrophobicContact CE2-CG 4.11Å; F299-L315 HydrophobicContact CZ-CD2 4.26Å; F299-L315 HydrophobicContact CZ-CG 4.44Å; F299-Y319 AromaticContact CD2-CD2 3.94Å; F299-Y319 HydrophobicContact CD2-CD2 3.94Å; F299-Y319 AromaticContact CD2-CE2 3.51Å; F299-Y319 HydrophobicContact CD2-CE2 3.51Å; F299-Y319 AromaticContact CD2-CZ 3.91Å; F299-Y319 AromaticContact CE2-CD2 3.45Å; F299-Y319 HydrophobicContact CE2-CD2 3.45Å; F299-Y319 VanDerWaalsContact CE2-CD2 3.45Å; F299-Y319 AromaticContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CG 4.1Å; F299-P330 HydrophobicContact CD1-CG 4.37Å; F299-P330 HydrophobicContact CD2-CG 3.66Å; F299-P330 HydrophobicContact CE1-CG 4.42Å; F299-P330 HydrophobicContact CE2-CB 4.18Å; F299-P330 HydrophobicContact CE2-CG 3.71Å; F299-P330 HydrophobicContact CG-CG 4Å; F299-P330 HydrophobicContact CZ-CB 4.37Å; F299-P330 HydrophobicContact CZ-CG 4.11Å; F299-L332 HydrophobicContact CE2-CD1 4.48Å; F299-L332 HydrophobicContact CZ-CD1 4.14Å |
| 300 | D | 90.5 | Very high | 90.2 | Very high | 62 Ų | 62 | 65.3 Ų | 65.3 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | trans | -146.6 | 117.7 | 170.6 | -170.9 | -24.3 | 0 | 0 | 0 | 107.6 | S298 R302 D303 M306 | S298-D300 VanDerWaalsContact OG-C 3.31Å; S298-D300 PolarHBondContact OG-O 3.26Å; D300-R302 WeakPolarHBondContact OD1-CA 3.44Å; D300-R302 VanDerWaalsContact OD1-CB 3.31Å; D300-R302 WeakPolarHBondContact OD1-CB 3.31Å; D300-R302 PolarHBondContact OD1-N 3.04Å; D300-D303 HydrophobicContact CB-CB 4.49Å; D300-D303 PolarHBondContact OD1-N 3.36Å; D300-M306 HydrophobicContact CB-CG 4.15Å | ||
| 301 | C | 85.6 | Confident | 90.1 | Very high | 41 Ų | 41 | 66 Ų | 66 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -83.6 | -16 | 178.3 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | E291 R308 | E291-C301 HydrophobicContact CB-CB 4.28Å; E291-C301 PolarHBondContact OE2-N 3.28Å; E291-C301 PolarHBondContact OE2-SG 3Å; C301-R308 PolarHBondContact O-NH2 3.15Å |
| 302 | R | 85 | Confident | 90.2 | Very high | 217 Ų | 217 | 64.6 Ų | 64.6 | 82% | 0.819 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -82.6 | -27.3 | -176.1 | -56.4 | 179.2 | -179.2 | -172 | -1 | 111.5 | D300 P304 | D300-R302 WeakPolarHBondContact OD1-CA 3.44Å; D300-R302 VanDerWaalsContact OD1-CB 3.31Å; D300-R302 WeakPolarHBondContact OD1-CB 3.31Å; D300-R302 PolarHBondContact OD1-N 3.04Å; R302-P304 WeakPolarHBondContact O-CD 3.23Å |
| 303 | D | 86.3 | Confident | 90.4 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | trans | -83.6 | 117.3 | 173.5 | -169.1 | -12.4 | 0 | 0 | 0 | 110.5 | D300 C305 M306 R308 | D300-D303 HydrophobicContact CB-CB 4.49Å; D300-D303 PolarHBondContact OD1-N 3.36Å; D303-C305 VanDerWaalsContact C-N 3.26Å; D303-C305 PolarHBondContact O-N 3.42Å; D303-C305 VanDerWaalsContact OD1-CB 3.32Å; D303-C305 WeakPolarHBondContact OD1-CB 3.49Å; D303-C305 PolarHBondContact OD1-N 2.9Å; D303-M306 HydrophobicContact CB-CB 4.19Å; D303-M306 HydrophobicContact CB-CG 3.64Å; D303-R308 PolarHBondContact O-NH2 3.27Å | ||
| 304 | P | 82.8 | Confident | 90.8 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 70% | 0.695 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.3 | 174.8 | -16.6 | 31.5 | 0 | 0 | 0 | 113.3 | R302 M306 | R302-P304 WeakPolarHBondContact O-CD 3.23Å; P304-M306 VanDerWaalsContact C-N 3.34Å |
| 305 | C | 83.9 | Confident | 91.3 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 80% | 0.797 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15 | -177.6 | -64 | 0 | 0 | 0 | 0 | 112.6 | D303 | D303-C305 VanDerWaalsContact C-N 3.26Å; D303-C305 PolarHBondContact O-N 3.42Å; D303-C305 VanDerWaalsContact OD1-CB 3.32Å; D303-C305 WeakPolarHBondContact OD1-CB 3.49Å; D303-C305 PolarHBondContact OD1-N 2.9Å |
| 306 | M | 88.1 | Confident | 91.8 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -69.8 | 137.8 | 177.5 | -78.7 | -88.4 | 86.7 | 0 | 0 | 111.4 | D300 D303 P304 R308 F328 E329 | D300-M306 HydrophobicContact CB-CG 4.15Å; D303-M306 HydrophobicContact CB-CB 4.19Å; D303-M306 HydrophobicContact CB-CG 3.64Å; P304-M306 VanDerWaalsContact C-N 3.34Å; M306-R308 VanDerWaalsContact O-CG 3.31Å; M306-R308 WeakPolarHBondContact O-CG 3.46Å; M306-F328 HydrophobicContact CE-CE2 4.02Å; M306-E329 HydrophobicContact CE-CG 4.16Å; M306-E329 VanDerWaalsContact CE-OE1 3.28Å; M306-E329 WeakPolarHBondContact CE-OE1 3.33Å |
| 307 | Y | 91.4 | Very high | 91.9 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | trans | -61.8 | 138.3 | 178.7 | -178.4 | -99 | 0 | 0 | 0 | 111.6 | S298 D309 L315 H318 Y319 | S298-Y307 VanDerWaalsContact CB-O 3.31Å; S298-Y307 WeakPolarHBondContact CB-O 3.48Å; Y307-D309 HydrophobicContact CE1-CB 3.96Å; Y307-D309 PolarHBondContact OH-OD2 2.92Å; Y307-L315 HydrophobicContact CD1-CD1 3.94Å; Y307-L315 HydrophobicContact CE1-CD1 4.47Å; Y307-H318 HydrophobicContact CD1-CB 3.61Å; Y307-H318 AromaticContact CD1-CD2 3.44Å; Y307-H318 VanDerWaalsContact CD1-CD2 3.44Å; Y307-H318 WeakPolarHBondContact CD1-CD2 3.35Å; Y307-H318 AromaticContact CD1-CG 3.38Å; Y307-H318 AromaticContact CD1-ND1 3.94Å; Y307-H318 AromaticContact CD2-CD2 3.98Å; Y307-H318 AromaticContact CD2-CE1 3.48Å; Y307-H318 VanDerWaalsContact CD2-CE1 3.48Å; Y307-H318 WeakPolarHBondContact CD2-CE1 3.47Å; Y307-H318 AromaticContact CD2-CG 3.9Å; Y307-H318 AromaticContact CD2-ND1 3.6Å; Y307-H318 AromaticContact CD2-NE2 3.71Å; Y307-H318 HydrophobicContact CE1-CB 3.29Å; Y307-H318 AromaticContact CE1-CG 3.44Å; Y307-H318 VanDerWaalsContact CE1-CG 3.44Å; Y307-H318 AromaticContact CE1-ND1 3.86Å; Y307-H318 AromaticContact CE2-CE1 3.83Å; Y307-H318 AromaticContact CE2-CG 3.97Å; Y307-H318 AromaticContact CE2-ND1 3.52Å; Y307-H318 HydrophobicContact CG-CB 4.34Å; Y307-H318 AromaticContact CG-CD2 3.4Å; Y307-H318 VanDerWaalsContact CG-CD2 3.4Å; Y307-H318 AromaticContact CG-CE1 3.72Å; Y307-H318 AromaticContact CG-CG 3.6Å; Y307-H318 AromaticContact CG-ND1 3.8Å; Y307-H318 AromaticContact CG-NE2 3.48Å; Y307-H318 AromaticContact CZ-CG 3.72Å; Y307-H318 AromaticContact CZ-ND1 3.63Å; Y307-Y319 HydrophobicContact CD1-CE2 4.45Å | ||
| 308 | R | 93.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | trans | -132.1 | 132.7 | -179.1 | -43.5 | -171.9 | 177.9 | -177.6 | -7.9 | 110.5 | R296 F297 C301 D303 M306 | R296-R308 HydrophobicContact CB-CB 4.11Å; F297-R308 WeakPolarHBondContact O-CA 3.32Å; C301-R308 PolarHBondContact O-NH2 3.15Å; D303-R308 PolarHBondContact O-NH2 3.27Å; M306-R308 VanDerWaalsContact O-CG 3.31Å; M306-R308 WeakPolarHBondContact O-CG 3.46Å | ||
| 309 | D | 95.1 | Very high | 91.9 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -121.6 | 158.2 | 178 | -161.9 | -83.2 | 0 | 0 | 0 | 111.3 | R296 F297 Y307 S311 L315 | R296-D309 CarbonylContact C-O 3.6Å; R296-D309 WeakPolarHBondContact CA-O 3.43Å; R296-D309 WeakPolarHBondContact CB-O 3.42Å; F297-D309 PolarHBondContact N-O 2.95Å; F297-D309 PolarHBondContact O-N 3.24Å; Y307-D309 HydrophobicContact CE1-CB 3.96Å; Y307-D309 PolarHBondContact OH-OD2 2.92Å; D309-S311 WeakPolarHBondContact CB-O 3.46Å; D309-S311 PolarHBondContact O-N 2.7Å; D309-S311 WeakPolarHBondContact OD1-CA 3.15Å; D309-S311 PolarHBondContact OD1-N 3.32Å; D309-S311 PolarHBondContact OD1-OG 3.04Å; D309-L315 HydrophobicContact CB-CB 4.11Å |
| 310 | V | 93.5 | Very high | 91.9 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -77.4 | -12.5 | 175.1 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | R296 F297 | R296-V310 HydrophobicContact CG-CG1 4.43Å; F297-V310 WeakPolarHBondContact CE2-O 3.44Å |
| 311 | S | 95.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -130.9 | 149.2 | -176.9 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | D309 T313 G314 L315 | D309-S311 WeakPolarHBondContact CB-O 3.46Å; D309-S311 PolarHBondContact O-N 2.7Å; D309-S311 WeakPolarHBondContact OD1-CA 3.15Å; D309-S311 PolarHBondContact OD1-N 3.32Å; D309-S311 PolarHBondContact OD1-OG 3.04Å; S311-T313 VanDerWaalsContact C-N 3.34Å; S311-G314 WeakPolarHBondContact OG-CA 3.27Å; S311-G314 PolarHBondContact OG-N 3.48Å; S311-L315 PolarHBondContact O-N 3.13Å; S311-L315 VanDerWaalsContact O-N 3.14Å |
| 312 | V | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | D232 I236 L265 F275 I290 F297 G314 L315 L316 | D232-V312 PolarHBondContact OD1-N 3.18Å; D232-V312 WeakPolarHBondContact OD2-CA 3.41Å; D232-V312 WeakPolarHBondContact OD2-CB 3.48Å; D232-V312 PolarHBondContact OD2-N 2.93Å; I236-V312 HydrophobicContact CD1-CB 3.76Å; I236-V312 HydrophobicContact CD1-CG1 4.13Å; I236-V312 HydrophobicContact CD1-CG2 4.04Å; I236-V312 HydrophobicContact CG1-CB 4.25Å; I236-V312 HydrophobicContact CG1-CG1 4.43Å; L265-V312 HydrophobicContact CD1-CG1 4.31Å; L265-V312 HydrophobicContact CD2-CG1 4.07Å; F275-V312 HydrophobicContact CD2-CG2 4.04Å; F275-V312 HydrophobicContact CE2-CG2 4.28Å; I290-V312 HydrophobicContact CD1-CG1 3.64Å; F297-V312 HydrophobicContact CD1-CG2 4.05Å; F297-V312 HydrophobicContact CD2-CG2 4.19Å; F297-V312 HydrophobicContact CE1-CG2 4.19Å; F297-V312 HydrophobicContact CE2-CG2 4.33Å; F297-V312 HydrophobicContact CG-CG2 4.05Å; F297-V312 HydrophobicContact CZ-CG2 4.33Å; V312-G314 PolarHBondContact O-N 3.34Å; V312-L315 WeakPolarHBondContact O-CB 3.35Å; V312-L315 PolarHBondContact O-N 3.32Å; V312-L316 HydrophobicContact CG1-CD1 4.4Å; V312-L316 HydrophobicContact CG1-CG 4.45Å; V312-L316 VanDerWaalsContact O-CG 3.32Å; V312-L316 WeakPolarHBondContact O-CG 3.47Å; V312-L316 PolarHBondContact O-N 2.81Å |
| 313 | T | 96.1 | Very high | 92.3 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 178.3 | 55 | 0 | 0 | 0 | 0 | 112.5 | D232 Q235 I236 S311 L316 K317 | D232-T313 PolarHBondContact OD2-N 3.18Å; D232-T313 PolarHBondContact OD2-OG1 2.79Å; Q235-T313 HydrophobicContact CB-CG2 3.86Å; Q235-T313 PolarHBondContact OE1-OG1 2.84Å; I236-T313 HydrophobicContact CG1-CG2 4.03Å; S311-T313 VanDerWaalsContact C-N 3.34Å; T313-L316 PolarHBondContact O-N 3.29Å; T313-K317 WeakPolarHBondContact O-CB 3.25Å; T313-K317 PolarHBondContact O-N 3.5Å |
| 314 | G | 95.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S311 V312 L316 K317 H318 | S311-G314 WeakPolarHBondContact OG-CA 3.27Å; S311-G314 PolarHBondContact OG-N 3.48Å; V312-G314 PolarHBondContact O-N 3.34Å; G314-L316 PolarHBondContact O-N 3.39Å; G314-K317 WeakPolarHBondContact O-CB 3.41Å; G314-K317 PolarHBondContact O-N 2.78Å; G314-K317 VanDerWaalsContact O-N 3.17Å; G314-H318 PolarHBondContact O-N 3.24Å |
| 315 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 173.3 | -178.5 | 65.7 | 0 | 0 | 0 | 111.3 | I290 F297 F299 Y307 D309 S311 V312 K317 H318 Y319 | I290-L315 HydrophobicContact CD1-CD2 4.41Å; I290-L315 HydrophobicContact CG1-CD2 4.42Å; I290-L315 HydrophobicContact CG2-CD2 3.83Å; F297-L315 HydrophobicContact CB-CD2 4.13Å; F299-L315 HydrophobicContact CD2-CD1 4.44Å; F299-L315 HydrophobicContact CD2-CD2 4.49Å; F299-L315 HydrophobicContact CE2-CD1 4.35Å; F299-L315 HydrophobicContact CE2-CD2 4.22Å; F299-L315 HydrophobicContact CE2-CG 4.11Å; F299-L315 HydrophobicContact CZ-CD2 4.26Å; F299-L315 HydrophobicContact CZ-CG 4.44Å; Y307-L315 HydrophobicContact CD1-CD1 3.94Å; Y307-L315 HydrophobicContact CE1-CD1 4.47Å; D309-L315 HydrophobicContact CB-CB 4.11Å; S311-L315 PolarHBondContact O-N 3.13Å; S311-L315 VanDerWaalsContact O-N 3.14Å; V312-L315 WeakPolarHBondContact O-CB 3.35Å; V312-L315 PolarHBondContact O-N 3.32Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 2.93Å; L315-H318 PolarHBondContact O-N 3.2Å; L315-Y319 HydrophobicContact CD1-CD2 4.14Å; L315-Y319 HydrophobicContact CD1-CE2 3.7Å; L315-Y319 HydrophobicContact CG-CE2 4.5Å; L315-Y319 WeakPolarHBondContact O-CD2 3.47Å |
| 316 | L | 96.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -38 | 178.5 | -62.7 | 178.8 | 0 | 0 | 0 | 112.4 | F263 L265 V277 V312 T313 G314 Y319 S320 L332 | F263-L316 HydrophobicContact CE2-CD1 4.48Å; L265-L316 HydrophobicContact CB-CD1 4.42Å; L265-L316 HydrophobicContact CD1-CD1 4.45Å; L265-L316 HydrophobicContact CD2-CD1 4.14Å; V277-L316 HydrophobicContact CG2-CD2 3.48Å; V277-L316 VanDerWaalsContact CG2-CD2 3.48Å; V312-L316 HydrophobicContact CG1-CD1 4.4Å; V312-L316 HydrophobicContact CG1-CG 4.45Å; V312-L316 VanDerWaalsContact O-CG 3.32Å; V312-L316 WeakPolarHBondContact O-CG 3.47Å; V312-L316 PolarHBondContact O-N 2.81Å; T313-L316 PolarHBondContact O-N 3.29Å; G314-L316 PolarHBondContact O-N 3.39Å; L316-Y319 PolarHBondContact O-N 2.9Å; L316-S320 PolarHBondContact O-N 3.14Å; L316-L332 HydrophobicContact CD2-CD1 3.59Å |
| 317 | K | 94.9 | Very high | 92.6 | Very high | 162 Ų | 162 | 56.7 Ų | 56.7 | 70% | 0.704 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -39.4 | 180 | -172.9 | 179.1 | 179.3 | -178 | 0 | 111.9 | T313 G314 L315 Y319 S320 | T313-K317 WeakPolarHBondContact O-CB 3.25Å; T313-K317 PolarHBondContact O-N 3.5Å; G314-K317 WeakPolarHBondContact O-CB 3.41Å; G314-K317 PolarHBondContact O-N 2.78Å; G314-K317 VanDerWaalsContact O-N 3.17Å; L315-K317 VanDerWaalsContact C-N 3.29Å; L315-K317 PolarHBondContact O-N 2.93Å; K317-Y319 VanDerWaalsContact C-N 3.31Å; K317-Y319 PolarHBondContact O-N 3.06Å; K317-S320 WeakPolarHBondContact O-CB 3.47Å; K317-S320 PolarHBondContact O-N 2.68Å; K317-S320 PolarHBondContact O-OG 3.4Å |
| 318 | H | 94.2 | Very high | 92.2 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 177.5 | 179.9 | 79.5 | 0 | 0 | 0 | 112.4 | Y307 G314 L315 S320 | Y307-H318 HydrophobicContact CD1-CB 3.61Å; Y307-H318 AromaticContact CD1-CD2 3.44Å; Y307-H318 VanDerWaalsContact CD1-CD2 3.44Å; Y307-H318 WeakPolarHBondContact CD1-CD2 3.35Å; Y307-H318 AromaticContact CD1-CG 3.38Å; Y307-H318 AromaticContact CD1-ND1 3.94Å; Y307-H318 AromaticContact CD2-CD2 3.98Å; Y307-H318 AromaticContact CD2-CE1 3.48Å; Y307-H318 VanDerWaalsContact CD2-CE1 3.48Å; Y307-H318 WeakPolarHBondContact CD2-CE1 3.47Å; Y307-H318 AromaticContact CD2-CG 3.9Å; Y307-H318 AromaticContact CD2-ND1 3.6Å; Y307-H318 AromaticContact CD2-NE2 3.71Å; Y307-H318 HydrophobicContact CE1-CB 3.29Å; Y307-H318 AromaticContact CE1-CG 3.44Å; Y307-H318 VanDerWaalsContact CE1-CG 3.44Å; Y307-H318 AromaticContact CE1-ND1 3.86Å; Y307-H318 AromaticContact CE2-CE1 3.83Å; Y307-H318 AromaticContact CE2-CG 3.97Å; Y307-H318 AromaticContact CE2-ND1 3.52Å; Y307-H318 HydrophobicContact CG-CB 4.34Å; Y307-H318 AromaticContact CG-CD2 3.4Å; Y307-H318 VanDerWaalsContact CG-CD2 3.4Å; Y307-H318 AromaticContact CG-CE1 3.72Å; Y307-H318 AromaticContact CG-CG 3.6Å; Y307-H318 AromaticContact CG-ND1 3.8Å; Y307-H318 AromaticContact CG-NE2 3.48Å; Y307-H318 AromaticContact CZ-CG 3.72Å; Y307-H318 AromaticContact CZ-ND1 3.63Å; G314-H318 PolarHBondContact O-N 3.24Å; L315-H318 PolarHBondContact O-N 3.2Å; H318-S320 PolarHBondContact O-N 3.18Å |
| 319 | Y | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 9.9 | -179.3 | -73.6 | -74.9 | 0 | 0 | 0 | 114.4 | F299 Y307 L315 L316 K317 E329 P330 L332 | F299-Y319 AromaticContact CD2-CD2 3.94Å; F299-Y319 HydrophobicContact CD2-CD2 3.94Å; F299-Y319 AromaticContact CD2-CE2 3.51Å; F299-Y319 HydrophobicContact CD2-CE2 3.51Å; F299-Y319 AromaticContact CD2-CZ 3.91Å; F299-Y319 AromaticContact CE2-CD2 3.45Å; F299-Y319 HydrophobicContact CE2-CD2 3.45Å; F299-Y319 VanDerWaalsContact CE2-CD2 3.45Å; F299-Y319 AromaticContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CE2 3.54Å; F299-Y319 HydrophobicContact CE2-CG 4.1Å; Y307-Y319 HydrophobicContact CD1-CE2 4.45Å; L315-Y319 HydrophobicContact CD1-CD2 4.14Å; L315-Y319 HydrophobicContact CD1-CE2 3.7Å; L315-Y319 HydrophobicContact CG-CE2 4.5Å; L315-Y319 WeakPolarHBondContact O-CD2 3.47Å; L316-Y319 PolarHBondContact O-N 2.9Å; K317-Y319 VanDerWaalsContact C-N 3.31Å; K317-Y319 PolarHBondContact O-N 3.06Å; Y319-E329 HydrophobicContact CD1-CB 4.08Å; Y319-E329 HydrophobicContact CE1-CB 3.74Å; Y319-E329 HydrophobicContact CE1-CG 3.86Å; Y319-P330 WeakPolarHBondContact CB-O 3.43Å; Y319-P330 WeakPolarHBondContact CD1-O 3.48Å; Y319-L332 PolarHBondContact O-N 3.36Å |
| 320 | S | 94.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -24.5 | -177.4 | 69.9 | 0 | 0 | 0 | 0 | 114.4 | L316 K317 H318 P322 L332 S333 | L316-S320 PolarHBondContact O-N 3.14Å; K317-S320 WeakPolarHBondContact O-CB 3.47Å; K317-S320 PolarHBondContact O-N 2.68Å; K317-S320 PolarHBondContact O-OG 3.4Å; H318-S320 PolarHBondContact O-N 3.18Å; S320-P322 WeakPolarHBondContact O-CD 3.44Å; S320-L332 WeakPolarHBondContact CA-O 3.48Å; S320-L332 WeakPolarHBondContact CB-O 3.44Å; S320-S333 VanDerWaalsContact O-CA 3.26Å; S320-S333 WeakPolarHBondContact O-CA 3.48Å; S320-S333 WeakPolarHBondContact O-CB 3.36Å |
| 321 | D | 92 | Very high | 92 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | trans | -87.9 | 117.8 | -177.9 | -174.1 | -0.9 | 0 | 0 | 0 | 111.1 | A323 T324 C325 | D321-A323 PolarHBondContact O-N 3.36Å; D321-A323 WeakPolarHBondContact OD1-CB 3.41Å; D321-A323 PolarHBondContact OD1-N 3.18Å; D321-T324 PolarHBondContact O-N 2.78Å; D321-T324 PolarHBondContact O-OG1 3.07Å; D321-C325 WeakPolarHBondContact O-CB 3.41Å; D321-C325 PolarHBondContact O-N 3.03Å | ||
| 322 | P | 89 | Confident | 92.1 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.2 | 175 | -18.8 | 30.8 | 0 | 0 | 0 | 114.1 | S320 L331 | S320-P322 WeakPolarHBondContact O-CD 3.44Å; P322-L331 HydrophobicContact CB-CD1 4.01Å; P322-L331 HydrophobicContact CG-CD1 4.09Å |
| 323 | A | 88.6 | Confident | 92.1 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 74% | 0.736 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -27.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D321 | D321-A323 PolarHBondContact O-N 3.36Å; D321-A323 WeakPolarHBondContact OD1-CB 3.41Å; D321-A323 PolarHBondContact OD1-N 3.18Å |
| 324 | T | 84.6 | Confident | 92.1 | Very high | 80 Ų | 80 | 58.7 Ų | 58.7 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -13.2 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | D321 | D321-T324 PolarHBondContact O-N 2.78Å; D321-T324 PolarHBondContact O-OG1 3.07Å |
| 325 | C | 88.8 | Confident | 92.2 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | trans | -84.5 | 117.5 | -174.3 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | D321 P330 L331 | D321-C325 WeakPolarHBondContact O-CB 3.41Å; D321-C325 PolarHBondContact O-N 3.03Å; C325-P330 PolarHBondContact SG-O 3.19Å; C325-P330 VanDerWaalsContact SG-O 3.37Å; C325-L331 HydrophobicContact CB-CD1 4Å | ||
| 326 | L | 88.3 | Confident | 92.3 | Very high | 89 Ų | 89 | 62.6 Ų | 62.6 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | trans | -68.6 | 160.6 | 176.8 | -59.2 | 174.4 | 0 | 0 | 0 | 111.3 | R281 F328 E329 | R281-L326 VanDerWaalsContact CZ-O 3.31Å; R281-L326 PolarHBondContact NH1-O 2.98Å; R281-L326 PolarHBondContact NH2-O 3.5Å; L326-F328 HydrophobicContact CB-CD1 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.73Å; L326-F328 HydrophobicContact CB-CZ 3.99Å; L326-F328 HydrophobicContact CD1-CE1 3.67Å; L326-F328 HydrophobicContact CD1-CE2 4.32Å; L326-F328 HydrophobicContact CD1-CZ 3.39Å; L326-F328 HydrophobicContact CG-CE1 4.32Å; L326-F328 HydrophobicContact CG-CZ 4.34Å; L326-F328 PolarHBondContact O-N 2.69Å; L326-F328 VanDerWaalsContact O-N 3.17Å; L326-E329 HydrophobicContact CB-CG 3.96Å; L326-E329 PolarHBondContact N-OE2 3.05Å; L326-E329 PolarHBondContact O-N 2.76Å; L326-E329 VanDerWaalsContact O-N 3.13Å | ||
| 327 | F | 85.4 | Confident | 92.4 | Very high | 147 Ų | 147 | 66 Ų | 66 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.8 | -174.5 | 75 | -91.6 | 0 | 0 | 0 | 114.5 | R281 Y282 | R281-F327 VanDerWaalsContact CZ-O 3.27Å; R281-F327 VanDerWaalsContact NH1-C 3.33Å; R281-F327 PolarHBondContact NH1-O 3.25Å; R281-F327 VanDerWaalsContact NH1-O 3.1Å; Y282-F327 WeakPolarHBondContact CE2-O 3.49Å; Y282-F327 WeakPolarHBondContact OH-CA 3.36Å; Y282-F327 WeakPolarHBondContact OH-CB 3.39Å; Y282-F327 PolarHBondContact OH-O 3.06Å |
| 328 | F | 84.6 | Confident | 92.5 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 54% | 0.544 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -9.9 | -179.8 | 58.8 | -95.5 | 0 | 0 | 0 | 113.5 | M306 L326 | M306-F328 HydrophobicContact CE-CE2 4.02Å; L326-F328 HydrophobicContact CB-CD1 4.11Å; L326-F328 HydrophobicContact CB-CE1 3.73Å; L326-F328 HydrophobicContact CB-CZ 3.99Å; L326-F328 HydrophobicContact CD1-CE1 3.67Å; L326-F328 HydrophobicContact CD1-CE2 4.32Å; L326-F328 HydrophobicContact CD1-CZ 3.39Å; L326-F328 HydrophobicContact CG-CE1 4.32Å; L326-F328 HydrophobicContact CG-CZ 4.34Å; L326-F328 PolarHBondContact O-N 2.69Å; L326-F328 VanDerWaalsContact O-N 3.17Å |
| 329 | E | 90.9 | Very high | 92.6 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 9% | 0.089 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -81.4 | 168 | -176.2 | -72 | -179.3 | 148.7 | 0 | 0 | 112.7 | R281 M306 Y319 L326 L331 | R281-E329 PolarHBondContact NH1-O 3.27Å; M306-E329 HydrophobicContact CE-CG 4.16Å; M306-E329 VanDerWaalsContact CE-OE1 3.28Å; M306-E329 WeakPolarHBondContact CE-OE1 3.33Å; Y319-E329 HydrophobicContact CD1-CB 4.08Å; Y319-E329 HydrophobicContact CE1-CB 3.74Å; Y319-E329 HydrophobicContact CE1-CG 3.86Å; L326-E329 HydrophobicContact CB-CG 3.96Å; L326-E329 PolarHBondContact N-OE2 3.05Å; L326-E329 PolarHBondContact O-N 2.76Å; L326-E329 VanDerWaalsContact O-N 3.13Å; E329-L331 PolarHBondContact O-N 3.02Å |
| 330 | P | 91.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 7% | 0.071 | 36% | 0.358 | C | S | . | . | trans | -72.7 | 122.3 | 168.8 | -20.4 | 36.3 | 0 | 0 | 0 | 110.1 | F279 A288 F299 Y319 C325 L332 | F279-P330 HydrophobicContact CD1-CB 4.28Å; F279-P330 HydrophobicContact CE1-CB 3.91Å; F279-P330 HydrophobicContact CE1-CG 4.34Å; F279-P330 HydrophobicContact CE2-CB 4.38Å; F279-P330 HydrophobicContact CZ-CB 3.97Å; F279-P330 HydrophobicContact CZ-CG 4.37Å; A288-P330 HydrophobicContact CB-CG 4.16Å; F299-P330 HydrophobicContact CD1-CG 4.37Å; F299-P330 HydrophobicContact CD2-CG 3.66Å; F299-P330 HydrophobicContact CE1-CG 4.42Å; F299-P330 HydrophobicContact CE2-CB 4.18Å; F299-P330 HydrophobicContact CE2-CG 3.71Å; F299-P330 HydrophobicContact CG-CG 4Å; F299-P330 HydrophobicContact CZ-CB 4.37Å; F299-P330 HydrophobicContact CZ-CG 4.11Å; Y319-P330 WeakPolarHBondContact CB-O 3.43Å; Y319-P330 WeakPolarHBondContact CD1-O 3.48Å; C325-P330 PolarHBondContact SG-O 3.19Å; C325-P330 VanDerWaalsContact SG-O 3.37Å; P330-L332 HydrophobicContact CB-CD1 4.39Å; P330-L332 HydrophobicContact CB-CD2 3.87Å; P330-L332 HydrophobicContact CB-CG 4.05Å | ||
| 331 | L | 95.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 69.2 Ų | 69.2 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | trans | -91.9 | 109.7 | 171 | 178.4 | 62.3 | 0 | 0 | 0 | 109.4 | E260 G261 P322 C325 E329 | E260-L331 HydrophobicContact CG-CD2 4.1Å; G261-L331 WeakPolarHBondContact CA-O 3.31Å; P322-L331 HydrophobicContact CB-CD1 4.01Å; P322-L331 HydrophobicContact CG-CD1 4.09Å; C325-L331 HydrophobicContact CB-CD1 4Å; E329-L331 PolarHBondContact O-N 3.02Å | ||
| 332 | L | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | trans | -116.8 | 48 | -169.9 | -50.6 | -174.9 | 0 | 0 | 0 | 112 | F263 V277 F279 F299 L316 Y319 S320 P330 | F263-L332 HydrophobicContact CB-CD2 3.71Å; F263-L332 VanDerWaalsContact CD1-C 3.43Å; F263-L332 HydrophobicContact CD1-CB 3.8Å; F263-L332 HydrophobicContact CD1-CD2 4.5Å; F263-L332 WeakPolarHBondContact CD1-O 3.39Å; F263-L332 HydrophobicContact CD2-CB 4.17Å; F263-L332 HydrophobicContact CD2-CD2 4.09Å; F263-L332 VanDerWaalsContact CE1-C 3.44Å; F263-L332 HydrophobicContact CE1-CB 3.93Å; F263-L332 WeakPolarHBondContact CE1-O 3.28Å; F263-L332 HydrophobicContact CE2-CB 4.29Å; F263-L332 HydrophobicContact CG-CB 3.92Å; F263-L332 HydrophobicContact CG-CD2 3.86Å; F263-L332 HydrophobicContact CG-CG 4.43Å; F263-L332 HydrophobicContact CZ-CB 4.17Å; V277-L332 HydrophobicContact CG1-CD1 4.14Å; V277-L332 HydrophobicContact CG1-CD2 3.51Å; F279-L332 HydrophobicContact CB-CD2 3.86Å; F279-L332 HydrophobicContact CD1-CD2 4.35Å; F279-L332 HydrophobicContact CG-CD2 4.12Å; F299-L332 HydrophobicContact CE2-CD1 4.48Å; F299-L332 HydrophobicContact CZ-CD1 4.14Å; L316-L332 HydrophobicContact CD2-CD1 3.59Å; Y319-L332 PolarHBondContact O-N 3.36Å; S320-L332 WeakPolarHBondContact CA-O 3.48Å; S320-L332 WeakPolarHBondContact CB-O 3.44Å; P330-L332 HydrophobicContact CB-CD1 4.39Å; P330-L332 HydrophobicContact CB-CD2 3.87Å; P330-L332 HydrophobicContact CB-CG 4.05Å | ||
| 333 | S | 96.3 | Very high | 93.4 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | trans | -84.4 | -23.4 | -171.2 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | G261 S320 | G261-S333 WeakPolarHBondContact CA-OG 3.48Å; G261-S333 PolarHBondContact O-N 3.35Å; S320-S333 VanDerWaalsContact O-CA 3.26Å; S320-S333 WeakPolarHBondContact O-CA 3.48Å; S320-S333 WeakPolarHBondContact O-CB 3.36Å | ||
| 334 | R | 96.9 | Very high | 93.8 | Very high | 141 Ų | 141 | 67.3 Ų | 67.3 | 53% | 0.532 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 96 | -173.4 | -60.8 | 177.6 | 70.4 | 84.9 | 1.1 | 111.2 | G261 T262 F263 L336 | G261-R334 PolarHBondContact O-N 2.93Å; T262-R334 CarbonylContact C-O 3.55Å; T262-R334 VanDerWaalsContact CA-O 3.24Å; T262-R334 WeakPolarHBondContact CA-O 3.37Å; F263-R334 VanDerWaalsContact CD1-C 3.5Å; F263-R334 WeakPolarHBondContact CD1-O 3.5Å; F263-R334 PolarHBondContact N-O 3.26Å; R334-L336 PolarHBondContact O-N 3.42Å |
| 335 | P | 97.6 | Very high | 94.4 | Very high | 71 Ų | 71 | 68.3 Ų | 68.3 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.4 | 178.5 | 25.2 | -31.8 | 0 | 0 | 0 | 110.6 | C241 F263 P337 | C241-P335 HydrophobicContact CB-CB 3.53Å; F263-P335 VanDerWaalsContact CE1-CA 3.46Å; F263-P335 HydrophobicContact CE1-CB 3.84Å; F263-P335 HydrophobicContact CE1-CG 4.46Å; F263-P335 VanDerWaalsContact CE1-N 3.34Å; F263-P335 HydrophobicContact CZ-CB 3.93Å; P335-P337 VanDerWaalsContact O-CD 3.27Å; P335-P337 WeakPolarHBondContact O-CD 3.41Å |
| 336 | L | 98.1 | Very high | 94.8 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | trans | -85.4 | 108.1 | 172.1 | -174.9 | 69.8 | 0 | 0 | 0 | 109 | W243 L254 L255 T262 F263 L264 R334 | W243-L336 HydrophobicContact CZ2-CD2 4.03Å; W243-L336 HydrophobicContact CZ2-CG 4.1Å; W243-L336 PolarHBondContact NE1-O 3.17Å; L254-L336 HydrophobicContact CB-CD2 3.9Å; L255-L336 HydrophobicContact CD2-CD2 4.47Å; T262-L336 HydrophobicContact CG2-CB 4.04Å; T262-L336 HydrophobicContact CG2-CD1 4.31Å; F263-L336 WeakPolarHBondContact O-CB 3.49Å; F263-L336 PolarHBondContact O-N 3.01Å; L264-L336 HydrophobicContact CB-CB 4.42Å; L264-L336 HydrophobicContact CD2-CD2 3.9Å; R334-L336 PolarHBondContact O-N 3.42Å | ||
| 337 | P | 97.6 | Very high | 95.2 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | trans | -70.3 | 135.4 | -174.8 | 29 | -35 | 0 | 0 | 0 | 111.3 | P240 W243 P335 | P240-P337 HydrophobicContact CB-CB 4.24Å; P240-P337 CarbonylContact O-C 3.52Å; P240-P337 WeakPolarHBondContact O-CA 3.43Å; W243-P337 VanDerWaalsContact CZ2-O 3.32Å; W243-P337 WeakPolarHBondContact CZ2-O 3.36Å; P335-P337 VanDerWaalsContact O-CD 3.27Å; P335-P337 WeakPolarHBondContact O-CD 3.41Å | ||
| 338 | R | 96.4 | Very high | 95.8 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | trans | -62 | 142.8 | 171.8 | -172.1 | 179.5 | 68.8 | 136.1 | -9.4 | 110.8 | P240 Y242 W243 F340 P341 F342 | P240-R338 WeakPolarHBondContact O-CB 3.48Å; P240-R338 PolarHBondContact O-N 3.29Å; Y242-R338 WeakPolarHBondContact O-CD 3.16Å; W243-R338 HydrophobicContact CD2-CB 4.3Å; W243-R338 HydrophobicContact CD2-CG 4.22Å; W243-R338 HydrophobicContact CE3-CG 4.3Å; R338-F340 HydrophobicContact CG-CD1 3.5Å; R338-F340 VanDerWaalsContact CG-CD1 3.5Å; R338-F340 HydrophobicContact CG-CD2 4.37Å; R338-F340 HydrophobicContact CG-CE1 3.4Å; R338-F340 HydrophobicContact CG-CE2 4.29Å; R338-F340 HydrophobicContact CG-CG 4.01Å; R338-F340 HydrophobicContact CG-CZ 3.82Å; R338-F340 PolarHBondContact NE-O 3.28Å; R338-F340 PolarHBondContact NH1-O 3.45Å; R338-F340 PolarHBondContact NH2-O 2.83Å; R338-P341 PolarHBondContact NH1-O 3.18Å; R338-F342 VanDerWaalsContact CZ-CD2 3.45Å; R338-F342 VanDerWaalsContact CZ-CE2 3.41Å | ||
| 339 | N | 96.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -108.8 | 21.9 | -176 | 65.7 | 7 | 0 | 0 | 0 | 114.6 | R26 | R26-N339 PolarHBondContact NH1-ND2 2.84Š|
| 340 | F | 95.6 | Very high | 96.7 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 40% | 0.399 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -147.4 | 157.6 | 178.3 | 59.9 | -86.1 | 0 | 0 | 0 | 110.1 | W243 R338 F342 | W243-F340 AromaticContact CE3-CE1 3.74Å; W243-F340 HydrophobicContact CE3-CE1 3.74Å; W243-F340 AromaticContact CZ3-CE1 3.99Å; W243-F340 HydrophobicContact CZ3-CE1 3.99Å; R338-F340 HydrophobicContact CG-CD1 3.5Å; R338-F340 VanDerWaalsContact CG-CD1 3.5Å; R338-F340 HydrophobicContact CG-CD2 4.37Å; R338-F340 HydrophobicContact CG-CE1 3.4Å; R338-F340 HydrophobicContact CG-CE2 4.29Å; R338-F340 HydrophobicContact CG-CG 4.01Å; R338-F340 HydrophobicContact CG-CZ 3.82Å; R338-F340 PolarHBondContact NE-O 3.28Å; R338-F340 PolarHBondContact NH1-O 3.45Å; R338-F340 PolarHBondContact NH2-O 2.83Å; F340-F342 HydrophobicContact CE2-CD1 4.41Å; F340-F342 HydrophobicContact CE2-CE1 4.25Å |
| 341 | P | 96.2 | Very high | 97 | Very high | 112 Ų | 112 | 60.5 Ų | 60.5 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -85 | 156.7 | 169.3 | 33.7 | -34 | 0 | 0 | 0 | 111.8 | R338 | R338-P341 PolarHBondContact NH1-O 3.18Š|
| 342 | F | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 161.7 | 171.8 | -73.2 | -56.9 | 0 | 0 | 0 | 110.3 | Y242 R338 F340 H346 L347 | Y242-F342 AromaticContact CD1-CE2 3.69Å; Y242-F342 HydrophobicContact CD1-CE2 3.69Å; Y242-F342 AromaticContact CD1-CZ 3.54Å; Y242-F342 HydrophobicContact CD1-CZ 3.54Å; Y242-F342 AromaticContact CE1-CE2 4Å; Y242-F342 HydrophobicContact CE1-CE2 4Å; Y242-F342 AromaticContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CE1-CZ 3.68Å; Y242-F342 HydrophobicContact CG-CZ 4.46Å; R338-F342 VanDerWaalsContact CZ-CD2 3.45Å; R338-F342 VanDerWaalsContact CZ-CE2 3.41Å; F340-F342 HydrophobicContact CE2-CD1 4.41Å; F340-F342 HydrophobicContact CE2-CE1 4.25Å; F342-H346 HydrophobicContact CB-CB 4.24Å; F342-H346 AromaticContact CG-CD2 3.98Å; F342-L347 HydrophobicContact CB-CD2 3.98Å; F342-L347 HydrophobicContact CB-CG 4.12Å; F342-L347 HydrophobicContact CD2-CD2 4.31Å |
| 343 | S | 97.4 | Very high | 97.1 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 149.5 | 171.9 | 68 | 0 | 0 | 0 | 0 | 110.6 | Q345 H346 L347 | S343-Q345 PolarHBondContact O-N 3.16Å; S343-H346 WeakPolarHBondContact O-CB 3.49Å; S343-H346 PolarHBondContact O-N 2.76Å; S343-H346 PolarHBondContact OG-N 3.49Å; S343-L347 PolarHBondContact O-N 2.89Å; S343-L347 VanDerWaalsContact O-N 3.11Å |
| 344 | L | 98 | Very high | 97.1 | Very high | 135 Ų | 135 | 64 Ų | 64 | 71% | 0.707 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -56.5 | -39 | 178.3 | -178.8 | 61.5 | 0 | 0 | 0 | 111.3 | H346 L347 C348 | L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 2.63Å; L344-L347 PolarHBondContact O-N 3.47Å; L344-C348 WeakPolarHBondContact O-CB 3.39Å; L344-C348 PolarHBondContact O-N 3.4Å; L344-C348 PolarHBondContact O-SG 3.05Å |
| 345 | Q | 97.1 | Very high | 97 | Very high | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 176.9 | -171.6 | -177 | 5.1 | 0 | 0 | 112.3 | S343 C348 R349 Y373 | S343-Q345 PolarHBondContact O-N 3.16Å; Q345-C348 PolarHBondContact O-N 3.23Å; Q345-R349 PolarHBondContact O-N 3.39Å; Q345-Y373 HydrophobicContact CG-CD1 4.38Å; Q345-Y373 HydrophobicContact CG-CE1 3.66Å |
| 346 | H | 97.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 177.7 | -172.4 | 107.4 | 0 | 0 | 0 | 111.7 | N237 F342 S343 L344 R349 A350 Y373 | N237-H346 PolarHBondContact OD1-CD2 3.34Å; N237-H346 PolarHBondContact OD1-NE2 2.9Å; F342-H346 HydrophobicContact CB-CB 4.24Å; F342-H346 AromaticContact CG-CD2 3.98Å; S343-H346 WeakPolarHBondContact O-CB 3.49Å; S343-H346 PolarHBondContact O-N 2.76Å; S343-H346 PolarHBondContact OG-N 3.49Å; L344-H346 VanDerWaalsContact C-N 3.33Å; L344-H346 PolarHBondContact O-N 2.63Å; H346-R349 PolarHBondContact CE1-NH2 2.93Å; H346-R349 PolarHBondContact ND1-NH2 3.28Å; H346-R349 WeakPolarHBondContact O-CB 3.46Å; H346-R349 PolarHBondContact O-N 3.31Å; H346-A350 PolarHBondContact O-N 3.36Å; H346-Y373 WeakPolarHBondContact CA-OH 3.26Å; H346-Y373 PolarHBondContact N-OH 3.36Å |
| 347 | L | 97.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 35% | 0.346 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.5 | -63.6 | 175.6 | 0 | 0 | 0 | 111.5 | F342 S343 L344 R349 A350 L351 | F342-L347 HydrophobicContact CB-CD2 3.98Å; F342-L347 HydrophobicContact CB-CG 4.12Å; F342-L347 HydrophobicContact CD2-CD2 4.31Å; S343-L347 PolarHBondContact O-N 2.89Å; S343-L347 VanDerWaalsContact O-N 3.11Å; L344-L347 PolarHBondContact O-N 3.47Å; L347-R349 VanDerWaalsContact C-N 3.33Å; L347-R349 PolarHBondContact O-N 2.98Å; L347-A350 PolarHBondContact O-N 2.9Å; L347-L351 PolarHBondContact O-N 3.37Å; L347-L351 VanDerWaalsContact O-N 3.17Å |
| 348 | C | 97.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 62 Ų | 62 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.2 | -69.6 | 0 | 0 | 0 | 0 | 111.8 | L344 Q345 A350 L351 I352 | L344-C348 WeakPolarHBondContact O-CB 3.39Å; L344-C348 PolarHBondContact O-N 3.4Å; L344-C348 PolarHBondContact O-SG 3.05Å; Q345-C348 PolarHBondContact O-N 3.23Å; C348-A350 PolarHBondContact O-N 2.88Å; C348-L351 PolarHBondContact O-N 3.21Å; C348-I352 WeakPolarHBondContact O-CB 3.42Å; C348-I352 VanDerWaalsContact O-CG1 3.26Å; C348-I352 WeakPolarHBondContact O-CG1 3.42Å; C348-I352 PolarHBondContact O-N 3.18Å |
| 349 | R | 97.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 174.8 | 168.1 | 174.3 | 66 | -179.7 | -0.6 | 111.8 | Q345 H346 L347 L351 I352 C353 Y373 L374 | Q345-R349 PolarHBondContact O-N 3.39Å; H346-R349 PolarHBondContact CE1-NH2 2.93Å; H346-R349 PolarHBondContact ND1-NH2 3.28Å; H346-R349 WeakPolarHBondContact O-CB 3.46Å; H346-R349 PolarHBondContact O-N 3.31Å; L347-R349 VanDerWaalsContact C-N 3.33Å; L347-R349 PolarHBondContact O-N 2.98Å; R349-L351 VanDerWaalsContact C-N 3.26Å; R349-L351 PolarHBondContact O-N 3.03Å; R349-I352 PolarHBondContact O-N 3.13Å; R349-C353 VanDerWaalsContact O-CB 3.27Å; R349-C353 WeakPolarHBondContact O-CB 3.19Å; R349-C353 PolarHBondContact O-N 3.1Å; R349-C353 PolarHBondContact O-SG 3.09Å; R349-Y373 HydrophobicContact CB-CD1 4.33Å; R349-Y373 HydrophobicContact CB-CE1 3.69Å; R349-Y373 VanDerWaalsContact CD-O 3.25Å; R349-Y373 WeakPolarHBondContact CD-O 3.39Å; R349-Y373 HydrophobicContact CG-CE1 4.23Å; R349-Y373 VanDerWaalsContact CZ-CZ 3.48Å; R349-Y373 PolarHBondContact NH1-O 3.08Å; R349-L374 HydrophobicContact CB-CD2 3.83Å; R349-L374 HydrophobicContact CG-CD2 3.78Å |
| 350 | A | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L234 N237 H346 L347 C348 S354 | L234-A350 HydrophobicContact CD1-CB 4.24Å; N237-A350 HydrophobicContact CB-CB 4.03Å; H346-A350 PolarHBondContact O-N 3.36Å; L347-A350 PolarHBondContact O-N 2.9Å; C348-A350 PolarHBondContact O-N 2.88Å; A350-S354 PolarHBondContact O-N 2.97Å |
| 351 | L | 97.4 | Very high | 96.4 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.3 | -50.9 | 175.2 | -72.7 | 170.1 | 0 | 0 | 0 | 112.4 | L234 L347 C348 R349 C353 S354 C355 | L234-L351 HydrophobicContact CD1-CD2 3.62Å; L234-L351 HydrophobicContact CD1-CG 4.07Å; L234-L351 HydrophobicContact CD2-CD2 3.93Å; L234-L351 HydrophobicContact CG-CD2 4.45Å; L347-L351 PolarHBondContact O-N 3.37Å; L347-L351 VanDerWaalsContact O-N 3.17Å; C348-L351 PolarHBondContact O-N 3.21Å; R349-L351 VanDerWaalsContact C-N 3.26Å; R349-L351 PolarHBondContact O-N 3.03Å; L351-C353 VanDerWaalsContact C-N 3.33Å; L351-C353 PolarHBondContact O-N 3.15Å; L351-S354 WeakPolarHBondContact O-CB 3.21Å; L351-S354 PolarHBondContact O-N 2.83Å; L351-S354 PolarHBondContact O-OG 3.04Å; L351-C355 PolarHBondContact O-N 2.8Å; L351-C355 PolarHBondContact O-SG 3.18Å |
| 352 | I | 97.1 | Very high | 96.3 | Very high | 65 Ų | 65 | 56 Ų | 56 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | -179.5 | -67.5 | 164.4 | 0 | 0 | 0 | 110.4 | C348 R349 S354 C355 T356 L364 L374 | C348-I352 WeakPolarHBondContact O-CB 3.42Å; C348-I352 VanDerWaalsContact O-CG1 3.26Å; C348-I352 WeakPolarHBondContact O-CG1 3.42Å; C348-I352 PolarHBondContact O-N 3.18Å; R349-I352 PolarHBondContact O-N 3.13Å; I352-S354 PolarHBondContact O-N 2.87Å; I352-C355 PolarHBondContact O-N 3.23Å; I352-T356 HydrophobicContact CG2-CG2 4.36Å; I352-T356 WeakPolarHBondContact O-CG2 3.4Å; I352-T356 PolarHBondContact O-N 3.26Å; I352-L364 HydrophobicContact CG2-CD1 4.04Å; I352-L374 HydrophobicContact CB-CD2 4.24Å; I352-L374 HydrophobicContact CD1-CD2 4.35Å; I352-L374 HydrophobicContact CG2-CD1 3.89Å; I352-L374 HydrophobicContact CG2-CD2 4.18Å |
| 353 | C | 96.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.054 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -23.5 | 178 | -69.3 | 0 | 0 | 0 | 0 | 113.2 | L229 L233 R349 L351 C355 L374 | L229-C353 HydrophobicContact CD1-CB 4.28Å; L233-C353 HydrophobicContact CD2-CB 4.03Å; R349-C353 VanDerWaalsContact O-CB 3.27Å; R349-C353 WeakPolarHBondContact O-CB 3.19Å; R349-C353 PolarHBondContact O-N 3.1Å; R349-C353 PolarHBondContact O-SG 3.09Å; L351-C353 VanDerWaalsContact C-N 3.33Å; L351-C353 PolarHBondContact O-N 3.15Å; C353-C355 VanDerWaalsContact C-N 3.29Å; C353-L374 PolarHBondContact SG-O 3.31Å; C353-L374 VanDerWaalsContact SG-O 3.36Å |
| 354 | S | 96 | Very high | 96.1 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76.5 | -15.8 | 173.8 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | A350 L351 I352 | A350-S354 PolarHBondContact O-N 2.97Å; L351-S354 WeakPolarHBondContact O-CB 3.21Å; L351-S354 PolarHBondContact O-N 2.83Å; L351-S354 PolarHBondContact O-OG 3.04Å; I352-S354 PolarHBondContact O-N 2.87Å |
| 355 | C | 95.6 | Very high | 96 | Very high | 114 Ų | 114 | 60.3 Ų | 60.3 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -111 | 2.8 | -176.9 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | L351 I352 C353 | L351-C355 PolarHBondContact O-N 2.8Å; L351-C355 PolarHBondContact O-SG 3.18Å; I352-C355 PolarHBondContact O-N 3.23Å; C353-C355 VanDerWaalsContact C-N 3.29Å |
| 356 | T | 95.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -141.7 | 171.1 | -177.3 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | L229 I352 I361 | L229-T356 HydrophobicContact CD1-CG2 4.38Å; I352-T356 HydrophobicContact CG2-CG2 4.36Å; I352-T356 WeakPolarHBondContact O-CG2 3.4Å; I352-T356 PolarHBondContact O-N 3.26Å; T356-I361 HydrophobicContact CG2-CG1 3.82Å |
| 357 | T | 95.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 61 Ų | 61 | 56% | 0.558 | 36% | 0.355 | S | S | * | . | trans | -107.9 | 169.5 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | Q359 G360 I361 | T357-Q359 PolarHBondContact O-N 3.38Å; T357-G360 PolarHBondContact O-N 3.05Å; T357-G360 VanDerWaalsContact O-N 3.09Å; T357-G360 PolarHBondContact OG1-N 2.93Å; T357-G360 VanDerWaalsContact OG1-N 3.08Å; T357-I361 PolarHBondContact O-N 3.36Å; T357-I361 VanDerWaalsContact O-N 3.1Å | ||
| 358 | Y | 94.6 | Very high | 95.8 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 14% | 0.137 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -40.7 | 178.6 | -170.8 | -87.1 | 0 | 0 | 0 | 112.7 | Y227 L229 R375 H378 | Y227-Y358 HydrophobicContact CD2-CE1 4.18Å; Y227-Y358 HydrophobicContact CG-CE1 4.23Å; Y227-Y358 WeakPolarHBondContact O-CB 3.27Å; L229-Y358 HydrophobicContact CD2-CD2 3.89Å; L229-Y358 HydrophobicContact CG-CD2 4.34Å; Y358-R375 HydrophobicContact CD2-CG 4.19Å; Y358-R375 HydrophobicContact CE2-CB 3.81Å; Y358-R375 HydrophobicContact CE2-CG 3.71Å; Y358-R375 PolarHBondContact O-NH2 3.4Å; Y358-H378 HydrophobicContact CD2-CB 3.6Å; Y358-H378 HydrophobicContact CE2-CB 3.5Å; Y358-H378 AromaticContact CE2-CG 3.47Å; Y358-H378 VanDerWaalsContact CE2-CG 3.47Å; Y358-H378 AromaticContact CE2-ND1 3.73Å |
| 359 | Q | 93.8 | Very high | 95.8 | Very high | 108 Ų | 108 | 65.8 Ų | 65.8 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -37.3 | 175.8 | -58.1 | -57.6 | -16.4 | 0 | 0 | 111.5 | T357 I361 E362 | T357-Q359 PolarHBondContact O-N 3.38Å; Q359-I361 PolarHBondContact O-N 3.37Å; Q359-I361 VanDerWaalsContact O-N 3.13Å; Q359-E362 PolarHBondContact O-N 2.85Å |
| 360 | G | 94 | Very high | 95.7 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T357 E362 T363 | T357-G360 PolarHBondContact O-N 3.05Å; T357-G360 VanDerWaalsContact O-N 3.09Å; T357-G360 PolarHBondContact OG1-N 2.93Å; T357-G360 VanDerWaalsContact OG1-N 3.08Å; G360-E362 PolarHBondContact O-N 3.46Å; G360-T363 PolarHBondContact O-N 3.49Å; G360-T363 PolarHBondContact O-OG1 3.45Å |
| 361 | I | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29 | 173 | -68.7 | 167.9 | 0 | 0 | 0 | 111.6 | L229 T356 T357 Q359 T363 L364 R371 L374 R375 | L229-I361 HydrophobicContact CD1-CD1 3.83Å; L229-I361 HydrophobicContact CD2-CD1 3.96Å; L229-I361 HydrophobicContact CG-CD1 4.41Å; T356-I361 HydrophobicContact CG2-CG1 3.82Å; T357-I361 PolarHBondContact O-N 3.36Å; T357-I361 VanDerWaalsContact O-N 3.1Å; Q359-I361 PolarHBondContact O-N 3.37Å; Q359-I361 VanDerWaalsContact O-N 3.13Å; I361-T363 VanDerWaalsContact C-N 3.29Å; I361-T363 PolarHBondContact O-N 3.02Å; I361-L364 PolarHBondContact O-N 3.33Å; I361-R371 HydrophobicContact CG2-CB 3.76Å; I361-R371 HydrophobicContact CG2-CG 3.95Å; I361-R371 WeakPolarHBondContact O-CD 3.37Å; I361-L374 HydrophobicContact CD1-CB 3.82Å; I361-L374 HydrophobicContact CG1-CB 4.31Å; I361-L374 HydrophobicContact CG2-CB 4.18Å; I361-L374 HydrophobicContact CG2-CD1 4.28Å; I361-R375 HydrophobicContact CB-CG 4.47Å; I361-R375 HydrophobicContact CD1-CG 3.72Å; I361-R375 HydrophobicContact CG2-CG 4.16Å |
| 362 | E | 93.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -32 | -177.8 | -60.1 | -159.7 | 156.4 | 0 | 0 | 113.2 | Q359 G360 L364 R371 R375 | Q359-E362 PolarHBondContact O-N 2.85Å; G360-E362 PolarHBondContact O-N 3.46Å; E362-L364 VanDerWaalsContact C-N 3.3Å; E362-R371 PolarHBondContact O-NH1 3.44Å; E362-R375 IonicContact OE1-CZ 3.86Å; E362-R375 IonicContact OE1-NH1 3.26Å; E362-R375 PolarHBondContact OE1-NH1 2.79Å; E362-R375 VanDerWaalsContact OE1-NH1 3.13Å; E362-R375 IonicContact OE1-NH2 3.31Å; E362-R375 PolarHBondContact OE1-NH2 3.45Å |
| 363 | T | 94.8 | Very high | 95.6 | Very high | 118 Ų | 118 | 68.9 Ų | 68.9 | 72% | 0.724 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.7 | -176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | G360 I361 | G360-T363 PolarHBondContact O-N 3.49Å; G360-T363 PolarHBondContact O-OG1 3.45Å; I361-T363 VanDerWaalsContact C-N 3.29Å; I361-T363 PolarHBondContact O-N 3.02Å |
| 364 | L | 95.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 68.9 Ų | 68.9 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -66.8 | 138 | 178 | -63.4 | 178.1 | 0 | 0 | 0 | 110.6 | I352 I361 E362 L366 L374 | I352-L364 HydrophobicContact CG2-CD1 4.04Å; I361-L364 PolarHBondContact O-N 3.33Å; E362-L364 VanDerWaalsContact C-N 3.3Å; L364-L366 HydrophobicContact CB-CD1 4.03Å; L364-L366 HydrophobicContact CB-CG 4.1Å; L364-L366 HydrophobicContact CD1-CD1 4.04Å; L364-L366 PolarHBondContact O-N 3.32Å; L364-L374 HydrophobicContact CD1-CD1 3.84Å |
| 365 | P | 96.5 | Very high | 95.6 | Very high | 131 Ų | 131 | 67.7 Ų | 67.7 | 85% | 0.851 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -76.6 | 59.5 | 178.5 | 33.4 | -36.8 | 0 | 0 | 0 | 111.1 | ||
| 366 | L | 95.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.304 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -123.6 | 146.2 | -176 | -64.9 | 176.3 | 0 | 0 | 0 | 111.2 | L364 L370 R371 L374 | L364-L366 HydrophobicContact CB-CD1 4.03Å; L364-L366 HydrophobicContact CB-CG 4.1Å; L364-L366 HydrophobicContact CD1-CD1 4.04Å; L364-L366 PolarHBondContact O-N 3.32Å; L366-L370 HydrophobicContact CB-CB 4.34Å; L366-L370 HydrophobicContact CD2-CD1 4.44Å; L366-R371 HydrophobicContact CB-CG 4.04Å; L366-R371 PolarHBondContact O-NE 3Å; L366-R371 VanDerWaalsContact O-NE 3.16Å; L366-L374 HydrophobicContact CD1-CD1 3.78Å |
| 367 | P | 97.3 | Very high | 95.5 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | trans | -51.6 | 149.7 | 167.9 | -25.5 | 33.1 | 0 | 0 | 0 | 112.5 | S369 L370 R371 | P367-S369 VanDerWaalsContact C-N 3.29Å; P367-S369 PolarHBondContact O-N 3.49Å; P367-L370 PolarHBondContact O-N 2.89Å; P367-R371 PolarHBondContact O-N 3.05Å; P367-R371 VanDerWaalsContact O-N 3.14Å | ||
| 368 | H | 95.1 | Very high | 95.5 | Very high | 136 Ų | 136 | 63.3 Ų | 63.3 | 63% | 0.63 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.6 | -42.1 | -175.9 | -69.5 | 59.7 | 0 | 0 | 0 | 112.2 | L370 R371 D372 | H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 PolarHBondContact O-N 3.13Å; H368-R371 PolarHBondContact CD2-NH2 2.84Å; H368-R371 PolarHBondContact CE1-NH2 3.47Å; H368-R371 VanDerWaalsContact CG-NH2 3.26Å; H368-R371 PolarHBondContact ND1-NH2 3.37Å; H368-R371 PolarHBondContact NE2-NH2 2.9Å; H368-R371 WeakPolarHBondContact O-CB 3.44Å; H368-R371 PolarHBondContact O-N 2.78Å; H368-D372 PolarHBondContact O-N 3.27Å |
| 369 | S | 96.8 | Very high | 95.3 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.5 | -33.9 | 177.3 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | P367 Y373 | P367-S369 VanDerWaalsContact C-N 3.29Å; P367-S369 PolarHBondContact O-N 3.49Å; S369-Y373 WeakPolarHBondContact O-CB 3.38Å; S369-Y373 PolarHBondContact O-N 3.13Å; S369-Y373 VanDerWaalsContact O-N 3.1Å |
| 370 | L | 96.6 | Very high | 95.1 | Very high | 65 Ų | 65 | 61.6 Ų | 61.6 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -76.8 | -35 | 175.3 | -71.2 | -176.2 | 0 | 0 | 0 | 111.6 | L366 P367 H368 D372 Y373 L374 | L366-L370 HydrophobicContact CB-CB 4.34Å; L366-L370 HydrophobicContact CD2-CD1 4.44Å; P367-L370 PolarHBondContact O-N 2.89Å; H368-L370 VanDerWaalsContact C-N 3.27Å; H368-L370 PolarHBondContact O-N 3.13Å; L370-D372 VanDerWaalsContact C-N 3.34Å; L370-Y373 WeakPolarHBondContact O-CB 3.48Å; L370-Y373 PolarHBondContact O-N 2.97Å; L370-L374 WeakPolarHBondContact O-CG 3.39Å; L370-L374 PolarHBondContact O-N 3.38Å |
| 371 | R | 96.6 | Very high | 94.5 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 172.9 | -68.8 | -171.2 | -77.4 | 157 | 9.4 | 111 | I361 E362 L366 P367 H368 Y373 L374 R375 | I361-R371 HydrophobicContact CG2-CB 3.76Å; I361-R371 HydrophobicContact CG2-CG 3.95Å; I361-R371 WeakPolarHBondContact O-CD 3.37Å; E362-R371 PolarHBondContact O-NH1 3.44Å; L366-R371 HydrophobicContact CB-CG 4.04Å; L366-R371 PolarHBondContact O-NE 3Å; L366-R371 VanDerWaalsContact O-NE 3.16Å; P367-R371 PolarHBondContact O-N 3.05Å; P367-R371 VanDerWaalsContact O-N 3.14Å; H368-R371 PolarHBondContact CD2-NH2 2.84Å; H368-R371 PolarHBondContact CE1-NH2 3.47Å; H368-R371 VanDerWaalsContact CG-NH2 3.26Å; H368-R371 PolarHBondContact ND1-NH2 3.37Å; H368-R371 PolarHBondContact NE2-NH2 2.9Å; H368-R371 WeakPolarHBondContact O-CB 3.44Å; H368-R371 PolarHBondContact O-N 2.78Å; R371-Y373 VanDerWaalsContact C-N 3.32Å; R371-Y373 PolarHBondContact O-N 3.02Å; R371-L374 PolarHBondContact O-N 3.18Å; R371-R375 WeakPolarHBondContact O-CG 3.34Å; R371-R375 PolarHBondContact O-N 3.46Å |
| 372 | D | 96.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 48% | 0.476 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 173.9 | -64.4 | -24.6 | 0 | 0 | 0 | 111.8 | H368 L370 L374 R375 Q376 | H368-D372 PolarHBondContact O-N 3.27Å; L370-D372 VanDerWaalsContact C-N 3.34Å; D372-L374 PolarHBondContact O-N 2.97Å; D372-R375 PolarHBondContact O-N 3.09Å; D372-Q376 PolarHBondContact O-N 3.32Å |
| 373 | Y | 96.8 | Very high | 91.6 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.7 | 178.3 | -103 | 0 | 0 | 0 | 113.2 | Q345 H346 R349 S369 L370 R371 R375 Q376 | Q345-Y373 HydrophobicContact CG-CD1 4.38Å; Q345-Y373 HydrophobicContact CG-CE1 3.66Å; H346-Y373 WeakPolarHBondContact CA-OH 3.26Å; H346-Y373 PolarHBondContact N-OH 3.36Å; R349-Y373 HydrophobicContact CB-CD1 4.33Å; R349-Y373 HydrophobicContact CB-CE1 3.69Å; R349-Y373 VanDerWaalsContact CD-O 3.25Å; R349-Y373 WeakPolarHBondContact CD-O 3.39Å; R349-Y373 HydrophobicContact CG-CE1 4.23Å; R349-Y373 VanDerWaalsContact CZ-CZ 3.48Å; R349-Y373 PolarHBondContact NH1-O 3.08Å; S369-Y373 WeakPolarHBondContact O-CB 3.38Å; S369-Y373 PolarHBondContact O-N 3.13Å; S369-Y373 VanDerWaalsContact O-N 3.1Å; L370-Y373 WeakPolarHBondContact O-CB 3.48Å; L370-Y373 PolarHBondContact O-N 2.97Å; R371-Y373 VanDerWaalsContact C-N 3.32Å; R371-Y373 PolarHBondContact O-N 3.02Å; Y373-R375 VanDerWaalsContact C-N 3.3Å; Y373-Q376 WeakPolarHBondContact O-CG 3.19Å; Y373-Q376 PolarHBondContact O-N 3.31Å |
| 374 | L | 97 | Very high | 89.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -33 | 175.5 | -67.3 | 177.3 | 0 | 0 | 0 | 111.8 | R349 I352 C353 I361 L364 L366 L370 R371 D372 Q376 | R349-L374 HydrophobicContact CB-CD2 3.83Å; R349-L374 HydrophobicContact CG-CD2 3.78Å; I352-L374 HydrophobicContact CB-CD2 4.24Å; I352-L374 HydrophobicContact CD1-CD2 4.35Å; I352-L374 HydrophobicContact CG2-CD1 3.89Å; I352-L374 HydrophobicContact CG2-CD2 4.18Å; C353-L374 PolarHBondContact SG-O 3.31Å; C353-L374 VanDerWaalsContact SG-O 3.36Å; I361-L374 HydrophobicContact CD1-CB 3.82Å; I361-L374 HydrophobicContact CG1-CB 4.31Å; I361-L374 HydrophobicContact CG2-CB 4.18Å; I361-L374 HydrophobicContact CG2-CD1 4.28Å; L364-L374 HydrophobicContact CD1-CD1 3.84Å; L366-L374 HydrophobicContact CD1-CD1 3.78Å; L370-L374 WeakPolarHBondContact O-CG 3.39Å; L370-L374 PolarHBondContact O-N 3.38Å; R371-L374 PolarHBondContact O-N 3.18Å; D372-L374 PolarHBondContact O-N 2.97Å; L374-Q376 VanDerWaalsContact C-N 3.27Å; L374-Q376 PolarHBondContact O-N 3.1Å |
| 375 | R | 95.5 | Very high | 86.3 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 13% | 0.128 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9 | 179.2 | -74.8 | 170.8 | 166.6 | -174.8 | -22.6 | 114.4 | Y358 I361 E362 R371 D372 Y373 Y377 H378 | Y358-R375 HydrophobicContact CD2-CG 4.19Å; Y358-R375 HydrophobicContact CE2-CB 3.81Å; Y358-R375 HydrophobicContact CE2-CG 3.71Å; Y358-R375 PolarHBondContact O-NH2 3.4Å; I361-R375 HydrophobicContact CB-CG 4.47Å; I361-R375 HydrophobicContact CD1-CG 3.72Å; I361-R375 HydrophobicContact CG2-CG 4.16Å; E362-R375 IonicContact OE1-CZ 3.86Å; E362-R375 IonicContact OE1-NH1 3.26Å; E362-R375 PolarHBondContact OE1-NH1 2.79Å; E362-R375 VanDerWaalsContact OE1-NH1 3.13Å; E362-R375 IonicContact OE1-NH2 3.31Å; E362-R375 PolarHBondContact OE1-NH2 3.45Å; R371-R375 WeakPolarHBondContact O-CG 3.34Å; R371-R375 PolarHBondContact O-N 3.46Å; D372-R375 PolarHBondContact O-N 3.09Å; Y373-R375 VanDerWaalsContact C-N 3.3Å; R375-Y377 VanDerWaalsContact C-N 3.31Å; R375-Y377 PolarHBondContact O-N 3.15Å; R375-H378 PolarHBondContact O-ND1 3.32Å |
| 376 | Q | 93.9 | Very high | 83.4 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 45% | 0.449 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.8 | -171.6 | -71.9 | -180 | 0.5 | 0 | 0 | 114.7 | D372 Y373 L374 H378 | D372-Q376 PolarHBondContact O-N 3.32Å; Y373-Q376 WeakPolarHBondContact O-CG 3.19Å; Y373-Q376 PolarHBondContact O-N 3.31Å; L374-Q376 VanDerWaalsContact C-N 3.27Å; L374-Q376 PolarHBondContact O-N 3.1Å; Q376-H378 PolarHBondContact O-N 3.01Å |
| 377 | Y | 94.8 | Very high | 80.2 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 3% | 0.031 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -96 | 69.8 | 178.7 | -67.3 | -72.5 | 0 | 0 | 0 | 111.2 | V230 L233 Y242 D267 F275 R375 | V230-Y377 PolarHBondContact N-O 3.42Å; L233-Y377 HydrophobicContact CD1-CD1 4.24Å; L233-Y377 HydrophobicContact CD1-CD2 3.79Å; L233-Y377 HydrophobicContact CD1-CE2 4.23Å; L233-Y377 HydrophobicContact CD1-CG 3.79Å; L233-Y377 HydrophobicContact CD2-CD2 3.8Å; L233-Y377 HydrophobicContact CD2-CG 4.15Å; L233-Y377 HydrophobicContact CG-CD2 4.45Å; Y242-Y377 PolarHBondContact OH-OH 3.37Å; D267-Y377 PolarHBondContact OD2-OH 2.96Å; F275-Y377 HydrophobicContact CE1-CD1 4.13Å; F275-Y377 AromaticContact CE1-CE1 3.92Å; F275-Y377 HydrophobicContact CE1-CE1 3.92Å; F275-Y377 AromaticContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CD1 3.88Å; F275-Y377 HydrophobicContact CZ-CE1 4.15Å; R375-Y377 VanDerWaalsContact C-N 3.31Å; R375-Y377 PolarHBondContact O-N 3.15Å |
| 378 | H | 93.9 | Very high | 79.4 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 21% | 0.213 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 153.7 | 173.7 | 74.3 | -87.6 | 0 | 0 | 0 | 110.8 | Y227 I228 L229 L274 Y358 R375 Q376 | Y227-H378 AromaticContact CD1-CD2 3.3Å; Y227-H378 WeakPolarHBondContact CD1-CD2 3.46Å; Y227-H378 AromaticContact CD1-NE2 3.6Å; Y227-H378 AromaticContact CE1-CD2 3.94Å; Y227-H378 AromaticContact CE1-NE2 3.76Å; Y227-H378 AromaticContact CG-CD2 3.97Å; I228-H378 CarbonylContact O-C 3.43Å; I228-H378 WeakPolarHBondContact O-CA 3.33Å; I228-H378 WeakPolarHBondContact O-CB 3.48Å; L229-H378 HydrophobicContact CD2-CB 4.38Å; L274-H378 WeakPolarHBondContact CD1-O 3.38Å; Y358-H378 HydrophobicContact CD2-CB 3.6Å; Y358-H378 HydrophobicContact CE2-CB 3.5Å; Y358-H378 AromaticContact CE2-CG 3.47Å; Y358-H378 VanDerWaalsContact CE2-CG 3.47Å; Y358-H378 AromaticContact CE2-ND1 3.73Å; R375-H378 PolarHBondContact O-ND1 3.32Å; Q376-H378 PolarHBondContact O-N 3.01Å |
| 379 | F | 91.4 | Very high | 78.6 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 7% | 0.066 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 162.6 | 169.3 | 61.6 | -91.5 | 0 | 0 | 0 | 109.6 | Y227 I228 V230 L274 Q292 F297 | Y227-F379 WeakPolarHBondContact CA-O 3.16Å; I228-F379 HydrophobicContact CB-CD2 4.43Å; I228-F379 HydrophobicContact CB-CE1 4.15Å; I228-F379 HydrophobicContact CB-CE2 3.9Å; I228-F379 HydrophobicContact CB-CZ 3.74Å; I228-F379 HydrophobicContact CD1-CE2 4.23Å; I228-F379 HydrophobicContact CD1-CZ 4.48Å; I228-F379 HydrophobicContact CG1-CE2 4.44Å; I228-F379 HydrophobicContact CG2-CE1 4.16Å; I228-F379 HydrophobicContact CG2-CE2 4.4Å; I228-F379 HydrophobicContact CG2-CZ 3.79Å; I228-F379 PolarHBondContact N-O 3.37Å; I228-F379 WeakPolarHBondContact O-CD1 3.5Å; I228-F379 PolarHBondContact O-N 3.1Å; V230-F379 HydrophobicContact CG2-CD1 4.31Å; L274-F379 HydrophobicContact CD1-CB 4.35Å; Q292-F379 HydrophobicContact CG-CB 4.37Å; Q292-F379 HydrophobicContact CG-CD2 3.49Å; Q292-F379 VanDerWaalsContact CG-CD2 3.49Å; Q292-F379 HydrophobicContact CG-CE2 3.82Å; Q292-F379 HydrophobicContact CG-CG 3.95Å; F297-F379 HydrophobicContact CE1-CD1 4.36Å; F297-F379 HydrophobicContact CE1-CE1 4.46Å; F297-F379 HydrophobicContact CZ-CD1 4.1Å; F297-F379 AromaticContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CE1 3.79Å; F297-F379 HydrophobicContact CZ-CZ 4.33Å |
| 380 | K | 89 | Confident | 77.6 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 120.7 | -179.8 | 172.7 | 169.8 | 160.5 | 174.2 | 0 | 108.9 | A225 Y227 Q292 D382 | A225-K380 HydrophobicContact CB-CD 3.54Å; A225-K380 HydrophobicContact CB-CG 3.79Å; Y227-K380 HydrophobicContact CD1-CB 4.22Å; Y227-K380 HydrophobicContact CE1-CB 4.16Å; Q292-K380 PolarHBondContact NE2-O 2.99Å; Q292-K380 VanDerWaalsContact NE2-O 3.09Å; Q292-K380 PolarHBondContact OE1-O 3.33Å; Q292-K380 VanDerWaalsContact OE1-O 3.05Å; K380-D382 VanDerWaalsContact CE-CG 3.43Å; K380-D382 WeakPolarHBondContact CE-OD1 3.4Å; K380-D382 IonicContact NZ-OD1 3.68Å; K380-D382 PolarHBondContact NZ-OD1 3.35Å |
| 381 | C | 82.6 | Confident | 76.4 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 103.2 | 169.6 | -167.1 | 0 | 0 | 0 | 0 | 107.5 | D226 I228 G383 | D226-C381 HydrophobicContact CB-CB 4.42Å; D226-C381 PolarHBondContact N-O 2.63Å; D226-C381 WeakPolarHBondContact O-CB 3.24Å; D226-C381 PolarHBondContact O-N 3.17Å; I228-C381 HydrophobicContact CD1-CB 3.51Å; I228-C381 HydrophobicContact CG1-CB 4.06Å; C381-G383 PolarHBondContact O-N 3.19Å |
| 382 | D | 72.8 | Confident | 75.2 | Confident | 99 Ų | 99 | 73 Ų | 73 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | trans | -70 | 123.7 | 165.6 | -76 | -45.5 | 0 | 0 | 0 | 107.7 | K380 A384 | K380-D382 VanDerWaalsContact CE-CG 3.43Å; K380-D382 WeakPolarHBondContact CE-OD1 3.4Å; K380-D382 IonicContact NZ-OD1 3.68Å; K380-D382 PolarHBondContact NZ-OD1 3.35Å; D382-A384 PolarHBondContact O-N 3.24Å | ||
| 383 | G | 54.1 | Low | 73.8 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 67% | 0.67 | 42% | 0.422 | S | S | * | . | trans | -68.4 | 43.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C381 C385 | C381-G383 PolarHBondContact O-N 3.19Å; G383-C385 PolarHBondContact O-N 3.05Å | ||
| 384 | A | 44.1 | Very low | 72.1 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 65% | 0.653 | 44% | 0.442 | S | S | * | . | trans | -76 | 84 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | D382 D386 | D382-A384 PolarHBondContact O-N 3.24Å; A384-D386 VanDerWaalsContact C-N 3.29Å; A384-D386 PolarHBondContact O-N 3.24Å | ||
| 385 | C | 36.2 | Very low | 70.2 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 76% | 0.764 | 47% | 0.472 | S | S | * | . | trans | -57.9 | 101.5 | 150.9 | -57.6 | 0 | 0 | 0 | 0 | 106.2 | G383 V387 | G383-C385 PolarHBondContact O-N 3.05Å; C385-V387 PolarHBondContact O-N 3.27Å | ||
| 386 | D | 34.6 | Very low | 68.1 | Low | 160 Ų | 160 | 83.3 Ų | 83.3 | 86% | 0.856 | 50% | 0.501 | S | S | * | . | trans | -64 | 120.6 | 163.6 | -79.7 | -33.7 | 0 | 0 | 0 | 107.3 | A384 | A384-D386 VanDerWaalsContact C-N 3.29Å; A384-D386 PolarHBondContact O-N 3.24Å | ||
| 387 | V | 30.2 | Very low | 65.8 | Low | 210 Ų | 210 | 82.1 Ų | 82.1 | 100% | 1.273 | 51% | 0.506 | S | S | * | . | trans | -72.2 | 0 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | C385 | C385-V387 PolarHBondContact O-N 3.27Š|
Retrieved 387 of 387 residues in 124.5 ms
(Link to these results)