| 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 | 35.8 | Very low | 32.9 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 100% | 1.172 | 85% | 0.848 | S | S | * | * | 0 | 102.7 | 0 | -62.2 | 166.9 | -174.5 | 0 | 0 | 106.2 | |||||
| 2 | A | 34.1 | Very low | 33 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 73% | 0.727 | 85% | 0.851 | S | S | * | * | cis | 59.2 | 125.2 | 15.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3 | T | 35.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 73% | 0.73 | 85% | 0.85 | S | S | * | * | cis | -148.3 | -168.8 | -11.3 | 35.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | E | 33.3 | Very low | 33.4 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | cis | -158.4 | -179.9 | 12.3 | -146 | 140.9 | 112 | 0 | 0 | 111 | ||||
| 5 | E | 36 | Very low | 33.9 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -92.9 | 153 | 168.7 | -63.7 | -175.6 | 110 | 0 | 0 | 112.1 | ||||
| 6 | T | 33.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -146.6 | 122.7 | 151.7 | -39.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 7 | A | 33.7 | Very low | 34.8 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -104.8 | 143.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 8 | G | 27.7 | Very low | 35.3 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -129.5 | 64.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A10 | G8-A10 PolarHBondContact O-N 3.21Š| ||
| 9 | G | 28 | Very low | 36 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 98.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | R11 | G9-R11 PolarHBondContact O-N 2.96Š| ||
| 10 | A | 31.9 | Very low | 36.4 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -70.2 | 87.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G8 K12 | G8-A10 PolarHBondContact O-N 3.21Å; A10-K12 PolarHBondContact O-N 3.32Å | ||
| 11 | R | 32.9 | Very low | 36.8 | Very low | 244 Ų | 244 | 137.9 Ų | 137.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 108.8 | 173.1 | -71.7 | -174.5 | 175.5 | 178.3 | -0 | 111.2 | G9 A13 | G9-R11 PolarHBondContact O-N 2.96Å; R11-A13 PolarHBondContact O-N 3.25Å; R11-A13 VanDerWaalsContact O-N 3.16Å | ||
| 12 | K | 33.5 | Very low | 37.4 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 89% | 0.887 | 74% | 0.743 | S | S | * | * | trans | -59.6 | 113.2 | 171.7 | -70.8 | 178.1 | 177.6 | 175.3 | 0 | 110.4 | A10 T14 | A10-K12 PolarHBondContact O-N 3.32Å; K12-T14 PolarHBondContact O-N 2.92Å | ||
| 13 | A | 34.7 | Very low | 37.9 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | trans | -68.5 | 112.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | R11 K15 | R11-A13 PolarHBondContact O-N 3.25Å; R11-A13 VanDerWaalsContact O-N 3.16Å; A13-K15 PolarHBondContact O-N 3.01Å | ||
| 14 | T | 37.8 | Very low | 38.4 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | trans | -68.2 | 110.7 | 173.7 | 27.2 | 0 | 0 | 0 | 0 | 109.9 | K12 S16 | K12-T14 PolarHBondContact O-N 2.92Å; T14-S16 PolarHBondContact O-N 3.39Å | ||
| 15 | K | 40.2 | Very low | 38.7 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | trans | -51.6 | 114.8 | 172.1 | -77.7 | -170 | 170.9 | -169.7 | 0 | 110.1 | A13 K17 E20 | A13-K15 PolarHBondContact O-N 3.01Å; K15-K17 PolarHBondContact O-N 3.38Å; K15-E20 IonicContact NZ-OE1 3.66Å; K15-E20 PolarHBondContact NZ-OE1 3.28Å; K15-E20 VanDerWaalsContact NZ-OE1 3.1Å | ||
| 16 | S | 43.3 | Very low | 38.8 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | trans | -71.2 | 128.3 | 174.6 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | T14 L18 F19 | T14-S16 PolarHBondContact O-N 3.39Å; S16-L18 PolarHBondContact O-N 3.3Å; S16-L18 PolarHBondContact OG-N 2.65Å; S16-F19 WeakPolarHBondContact O-CB 3.26Å; S16-F19 PolarHBondContact O-N 3.38Å | ||
| 17 | K | 39.9 | Very low | 38.9 | Very low | 187 Ų | 187 | 126.3 Ų | 126.3 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -57.6 | -21 | 175.4 | -69.7 | -177.8 | 176 | 179.7 | 0 | 113.1 | K15 F19 F21 | K15-K17 PolarHBondContact O-N 3.38Å; K17-F19 VanDerWaalsContact C-N 3.27Å; K17-F19 PolarHBondContact O-N 2.92Å; K17-F21 PolarHBondContact O-N 2.81Å |
| 18 | L | 43.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 60% | 0.597 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63.9 | -32.6 | 173.8 | -139.1 | 93.8 | 0 | 0 | 0 | 112.4 | S16 L22 | S16-L18 PolarHBondContact O-N 3.3Å; S16-L18 PolarHBondContact OG-N 2.65Å; L18-L22 HydrophobicContact CD2-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CB 3.14Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-L22 VanDerWaalsContact O-N 3.07Å |
| 19 | F | 48 | Very low | 39.4 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 61% | 0.614 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -71.9 | -45.9 | -176.3 | -171.5 | -95.1 | 0 | 0 | 0 | 111.8 | S16 K17 F21 L22 V23 | S16-F19 WeakPolarHBondContact O-CB 3.26Å; S16-F19 PolarHBondContact O-N 3.38Å; K17-F19 VanDerWaalsContact C-N 3.27Å; K17-F19 PolarHBondContact O-N 2.92Å; F19-F21 VanDerWaalsContact C-N 3.32Å; F19-F21 PolarHBondContact O-N 2.97Å; F19-L22 PolarHBondContact O-N 3.02Å; F19-V23 HydrophobicContact CD1-CG2 4.1Å; F19-V23 HydrophobicContact CE1-CG2 3.82Å; F19-V23 HydrophobicContact CE2-CG2 4.27Å; F19-V23 HydrophobicContact CG-CG2 4.44Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CB 3.29Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 3.45Å |
| 20 | E | 45.1 | Very low | 39.5 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 43% | 0.43 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -66.4 | -35.2 | 178.6 | -67.4 | -175.6 | 169.2 | 0 | 0 | 111.7 | K15 H24 | K15-E20 IonicContact NZ-OE1 3.66Å; K15-E20 PolarHBondContact NZ-OE1 3.28Å; K15-E20 VanDerWaalsContact NZ-OE1 3.1Å; E20-H24 PolarHBondContact O-N 3.41Å |
| 21 | F | 45.2 | Very low | 39.5 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 58% | 0.579 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -62.9 | -44.7 | 171.3 | -178.3 | -107 | 0 | 0 | 0 | 112.5 | K17 F19 G25 | K17-F21 PolarHBondContact O-N 2.81Å; F19-F21 VanDerWaalsContact C-N 3.32Å; F19-F21 PolarHBondContact O-N 2.97Å; F21-G25 WeakPolarHBondContact O-CA 3.38Å; F21-G25 PolarHBondContact O-N 3.18Å; F21-G25 VanDerWaalsContact O-N 3.1Å |
| 22 | L | 47.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 58% | 0.576 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.7 | -36 | 179.2 | -85.6 | 164.5 | 0 | 0 | 0 | 114 | L18 F19 | L18-L22 HydrophobicContact CD2-CD1 4.24Å; L18-L22 WeakPolarHBondContact O-CB 3.14Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.23Å; L18-L22 VanDerWaalsContact O-N 3.07Å; F19-L22 PolarHBondContact O-N 3.02Å |
| 23 | V | 44 | Very low | 39.3 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 51% | 0.509 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -85.3 | -39.8 | -175.2 | 173.8 | 0 | 0 | 0 | 0 | 112.5 | F19 | F19-V23 HydrophobicContact CD1-CG2 4.1Å; F19-V23 HydrophobicContact CE1-CG2 3.82Å; F19-V23 HydrophobicContact CE2-CG2 4.27Å; F19-V23 HydrophobicContact CG-CG2 4.44Å; F19-V23 HydrophobicContact CZ-CG2 3.92Å; F19-V23 WeakPolarHBondContact O-CB 3.29Å; F19-V23 WeakPolarHBondContact O-CG2 3.08Å; F19-V23 PolarHBondContact O-N 3.45Å |
| 24 | H | 47.7 | Very low | 39.1 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 61% | 0.611 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -104.7 | -19.8 | -173.3 | -63.3 | -67.9 | 0 | 0 | 0 | 114.5 | E20 V26 | E20-H24 PolarHBondContact O-N 3.41Å; H24-V26 HydrophobicContact CB-CG2 4.41Å; H24-V26 PolarHBondContact O-N 3.18Å |
| 25 | G | 38.7 | Very low | 38.8 | Very low | 59 Ų | 59 | 127 Ų | 127 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | trans | 65.4 | 5.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F21 | F21-G25 WeakPolarHBondContact O-CA 3.38Å; F21-G25 PolarHBondContact O-N 3.18Å; F21-G25 VanDerWaalsContact O-N 3.1Å | ||
| 26 | V | 37.6 | Very low | 38.4 | Very low | 101 Ų | 101 | 127 Ų | 127 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -81 | 121.9 | -179.3 | 179.8 | 0 | 0 | 0 | 0 | 110 | H24 | H24-V26 HydrophobicContact CB-CG2 4.41Å; H24-V26 PolarHBondContact O-N 3.18Å |
| 27 | R | 35.9 | Very low | 37.9 | Very low | 214 Ų | 214 | 129 Ų | 129 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129.7 | 165.9 | -164.2 | -178.3 | -166.5 | -168.8 | 4.3 | 108.4 | G29 | R27-G29 PolarHBondContact O-N 3.02Š|
| 28 | P | 30.9 | Very low | 37.7 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | 129.5 | 178.5 | -24.4 | 34 | 0 | 0 | 0 | 111.8 | ||
| 29 | G | 40.2 | Very low | 37.1 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.8 | 8.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | R27 | R27-G29 PolarHBondContact O-N 3.02Š|
| 30 | M | 31.5 | Very low | 36.4 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | trans | -135.2 | 139.6 | 174.7 | -65.8 | -179.4 | 75 | 0 | 0 | 112.5 | ||||
| 31 | P | 30.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 151.3 | 176.8 | 32.6 | -35 | 0 | 0 | 0 | 112.4 | ||
| 32 | S | 32.3 | Very low | 35.4 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 120.4 | -176.5 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 33 | G | 29.5 | Very low | 35 | Very low | 72 Ų | 72 | 133 Ų | 133 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 154.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 34 | A | 30.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 152 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 35 | R | 31.4 | Very low | 34.2 | Very low | 246 Ų | 246 | 132 Ų | 132 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | trans | -113.2 | 108.9 | -174.2 | -169 | -178.8 | -168.5 | 178 | 4.1 | 110.8 | ||||
| 36 | M | 33.3 | Very low | 34.2 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 145.8 | 175.7 | -70.7 | -69.7 | -81.2 | 0 | 0 | 111.8 | ||
| 37 | P | 32.8 | Very low | 34.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 138.8 | 176.7 | 32.1 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 38 | H | 34.9 | Very low | 34.2 | Very low | 191 Ų | 191 | 129.8 Ų | 129.8 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 125.9 | 173.6 | -159.4 | -51 | 0 | 0 | 0 | 109.6 | ||
| 39 | Q | 31.5 | Very low | 34.8 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69 | 145.6 | 172.9 | -67.9 | 176.2 | -10.7 | 0 | 0 | 110.8 | ||
| 40 | G | 32 | Very low | 34.5 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 156.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 41 | A | 33.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 145.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 42 | P | 37.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 145.2 | -179.5 | 31.8 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 43 | M | 37.3 | Very low | 34.1 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 144.7 | 168.3 | -74.6 | -73.8 | -77.7 | 0 | 0 | 110.5 | ||
| 44 | G | 34.3 | Very low | 34.8 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 159.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 45 | P | 42.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 159.7 | -176.7 | 33.1 | -36.3 | 0 | 0 | 0 | 114 | ||
| 46 | P | 37.4 | Very low | 34.7 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 154.3 | -179.9 | 33.9 | -36 | 0 | 0 | 0 | 113.6 | ||
| 47 | G | 35.3 | Very low | 34.6 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 161 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 48 | P | 39.6 | Very low | 34.8 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 165.8 | -173.1 | -7.1 | 27.3 | 0 | 0 | 0 | 114.5 | ||
| 49 | P | 42.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 151.7 | -175 | 37.3 | -34.5 | 0 | 0 | 0 | 114.3 | ||
| 50 | F | 32.7 | Very low | 34.5 | Very low | 223 Ų | 223 | 121.9 Ų | 121.9 | 98% | 0.978 | 81% | 0.814 | S | S | * | * | trans | -140.5 | 150.2 | 155 | -98.4 | -86 | 0 | 0 | 0 | 109.3 | ||||
| 51 | G | 30.1 | Very low | 34.7 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -127.3 | 168.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 52 | G | 27.6 | Very low | 34.5 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 175.8 | 117 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 53 | S | 29 | Very low | 34.5 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -137.8 | 167.7 | 179 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 54 | P | 43.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | cis | -125.4 | -178.8 | -43.8 | 37.6 | -24.1 | 0 | 0 | 0 | 111.1 | ||||
| 55 | A | 30.1 | Very low | 34 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -131.6 | 145.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 56 | V | 31.7 | Very low | 33.3 | Very low | 126 Ų | 126 | 129 Ų | 129 | 76% | 0.764 | 82% | 0.817 | S | S | * | * | trans | -144.7 | 155.1 | -169.7 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 57 | R | 30.1 | Very low | 33.2 | Very low | 230 Ų | 230 | 128.9 Ų | 128.9 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | 91.2 | 159.2 | 172 | -57.2 | -173.8 | 157.9 | -154.5 | -4.4 | 115.9 | ||||
| 58 | P | 36.3 | Very low | 33 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | -138.1 | 155.4 | -54.6 | 38.7 | -23.8 | 0 | 0 | 0 | 113.4 | |||||
| 59 | G | 29.8 | Very low | 32.5 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -115.9 | 126.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 60 | L | 32 | Very low | 32 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -90.2 | 145.3 | 170.4 | -88.6 | 86.2 | 0 | 0 | 0 | 111.2 | ||||
| 61 | P | 36.3 | Very low | 31.7 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | -86.7 | 157.3 | 168.1 | 35.8 | -33.8 | 0 | 0 | 0 | 112.3 | ||||
| 62 | A | 28.6 | Very low | 31.8 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -134.8 | 157.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | P | 38.3 | Very low | 31.9 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | trans | -110.2 | 175.3 | -151 | 40.9 | -35.7 | 0 | 0 | 0 | 115 | ||||
| 64 | V | 29.4 | Very low | 32.2 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | -163 | 133.6 | 129.1 | 137.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 65 | M | 30.4 | Very low | 31.5 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 8.1 | 134.8 | 163.9 | -56.4 | -177.1 | 178.7 | 0 | 0 | 123.5 | ||||
| 66 | E | 28 | Very low | 31.5 | Very low | 176 Ų | 176 | 147.5 Ų | 147.5 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -128.7 | 134 | 148.9 | 179.5 | -174.6 | -142.5 | 0 | 0 | 108.7 | ||||
| 67 | P | 36.2 | Very low | 31.4 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -101.8 | 131 | 177.8 | 35.3 | -29.8 | 0 | 0 | 0 | 113.4 | ||||
| 68 | S | 29.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | trans | -103.8 | 144.3 | -178.2 | -25.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 69 | R | 30.6 | Very low | 31 | Very low | 249 Ų | 249 | 149.2 Ų | 149.2 | 94% | 0.94 | 83% | 0.828 | S | S | * | * | 172.9 | 154.5 | 120.1 | -93 | 165.4 | -173.7 | -156.5 | 1.9 | 116.5 | |||||
| 70 | K | 30.6 | Very low | 31 | Very low | 196 Ų | 196 | 154 Ų | 154 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -63.9 | 144.3 | -173.3 | -57.9 | 165.5 | 173.7 | 178.1 | 0 | 117 | ||||
| 71 | R | 26.3 | Very low | 30.9 | Very low | 241 Ų | 241 | 155 Ų | 155 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | 54 | 163.6 | 134.2 | -88.3 | -170.8 | -173.5 | -170.7 | 3.9 | 119.8 | ||||
| 72 | P | 32.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | cis | -123.2 | -165.6 | 23.1 | 42.4 | -26.4 | 0 | 0 | 0 | 115.8 | ||||
| 73 | A | 30.9 | Very low | 30.4 | Very low | 93 Ų | 93 | 160 Ų | 160 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | -122.9 | 158.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 74 | P | 34.7 | Very low | 30 | Very low | 117 Ų | 117 | 159.9 Ų | 159.9 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -121.2 | 143.2 | 166.7 | 38.2 | -27 | 0 | 0 | 0 | 114.9 | ||||
| 75 | S | 29.5 | Very low | 30.1 | Very low | 118 Ų | 118 | 162.1 Ų | 162.1 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | 37.6 | 140.4 | 145.8 | 56.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 76 | Q | 29.7 | Very low | 30 | Very low | 186 Ų | 186 | 161.5 Ų | 161.5 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -63 | 157 | 164.5 | -57.5 | 158.1 | -30.4 | 0 | 0 | 113.2 | ||||
| 77 | Q | 29.1 | Very low | 30.1 | Very low | 200 Ų | 200 | 163.9 Ų | 163.9 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | trans | -150.9 | 164.2 | 144.8 | -120.5 | 175.4 | 5.9 | 0 | 0 | 111.5 | ||||
| 78 | V | 27.4 | Very low | 29.7 | Very low | 130 Ų | 130 | 162.6 Ų | 162.6 | 79% | 0.788 | 83% | 0.831 | S | S | * | * | trans | -130.1 | 125.7 | -164.9 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 79 | Q | 30.7 | Very low | 29.7 | Very low | 176 Ų | 176 | 168 Ų | 168 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | trans | -154.2 | 111.4 | 159.4 | -113.3 | 161.5 | -12.7 | 0 | 0 | 107.7 | ||||
| 80 | Q | 30.1 | Very low | 29.7 | Very low | 176 Ų | 176 | 165.8 Ų | 165.8 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | 89.5 | 119 | 59 | -172.7 | 175.4 | 56.7 | 0 | 0 | 111.5 | |||||
| 81 | Q | 28.7 | Very low | 29.6 | Very low | 186 Ų | 186 | 165.9 Ų | 165.9 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -80.5 | 148.4 | 179.8 | -62.6 | 168.7 | -38.1 | 0 | 0 | 111.5 | ||||
| 82 | Q | 30 | Very low | 30 | Very low | 182 Ų | 182 | 160.4 Ų | 160.4 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -161.7 | 151.2 | 134.2 | -112.2 | 170.6 | 28.7 | 0 | 0 | 113.2 | ||||
| 83 | N | 26.1 | Very low | 29.9 | Very low | 143 Ų | 143 | 160.8 Ų | 160.8 | 77% | 0.765 | 83% | 0.828 | S | S | * | * | trans | -4.5 | 153.2 | 157.7 | -60.7 | -25.6 | 0 | 0 | 0 | 118.9 | ||||
| 84 | V | 29.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 159.7 Ų | 159.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | -164.5 | 131.5 | 71.7 | 154.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 85 | Q | 30.7 | Very low | 29.4 | Very low | 180 Ų | 180 | 163.5 Ų | 163.5 | 84% | 0.841 | 83% | 0.832 | S | S | * | * | trans | 49.8 | 122.9 | 148 | -65.6 | 171.5 | -13.8 | 0 | 0 | 123.9 | ||||
| 86 | N | 29.2 | Very low | 30 | Very low | 168 Ų | 168 | 163.8 Ų | 163.8 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | -37.6 | 142.1 | 143 | -83.1 | -37.8 | 0 | 0 | 0 | 114.5 | ||||
| 87 | R | 28.5 | Very low | 29.8 | Very low | 226 Ų | 226 | 158.4 Ų | 158.4 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -148.3 | 116.3 | 151.9 | -159.3 | 175.9 | -168 | -178.2 | 6.1 | 112.9 | ||||
| 88 | A | 28.8 | Very low | 29.8 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -94.3 | 140.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 89 | R | 30.1 | Very low | 29.8 | Very low | 214 Ų | 214 | 154.7 Ų | 154.7 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -153.7 | 112.8 | 159 | -101.1 | 176.2 | 177.3 | -167.7 | -4 | 107.6 | ||||
| 90 | K | 30.4 | Very low | 29.7 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | 68.8 | 118.7 | 95.5 | -80 | -159.9 | 172.5 | -169.3 | 0 | 114.8 | |||||
| 91 | K | 28.8 | Very low | 29.7 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -67.2 | 160.9 | 166.4 | -60.7 | -179.5 | 176.7 | -176.6 | 0 | 112 | ||||
| 92 | P | 33.3 | Very low | 29.7 | Very low | 127 Ų | 127 | 153 Ų | 153 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -112.5 | -177.3 | 132.2 | 35.6 | -30.6 | 0 | 0 | 0 | 111.8 | ||||
| 93 | V | 32.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -127.4 | 145.2 | -169.1 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 94 | G | 27 | Very low | 30 | Very low | 71 Ų | 71 | 153.9 Ų | 153.9 | 73% | 0.732 | 83% | 0.831 | S | S | * | * | trans | -166.9 | 139.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 95 | F | 27.3 | Very low | 30 | Very low | 197 Ų | 197 | 157.3 Ų | 157.3 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -132.6 | 168.4 | 175.7 | -97.9 | -115.6 | 0 | 0 | 0 | 107 | ||||
| 96 | P | 42.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 157 Ų | 157 | 80% | 0.799 | 84% | 0.839 | S | S | * | * | cis | -132 | 178.7 | -39.5 | 36.9 | -20.9 | 0 | 0 | 0 | 112.1 | ||||
| 97 | G | 26.4 | Very low | 29.9 | Very low | 73 Ų | 73 | 154.3 Ų | 154.3 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -176.1 | 113.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 98 | A | 27.7 | Very low | 30 | Very low | 95 Ų | 95 | 150.7 Ų | 150.7 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 47.5 | 137.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 99 | N | 27.1 | Very low | 30.1 | Very low | 157 Ų | 157 | 155.6 Ų | 155.6 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | trans | 33.8 | 122.1 | 150.3 | -62.5 | 1.1 | 0 | 0 | 0 | 121.2 | ||||
| 100 | E | 28.8 | Very low | 30 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | -162.6 | 173.3 | 112.7 | -114.3 | 174.5 | -163 | 0 | 0 | 112.9 | |||||
| 101 | M | 30.6 | Very low | 30.1 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -87.6 | 149.3 | -169.7 | -64.6 | -140.7 | -65.5 | 0 | 0 | 114 | A103 | M101-A103 PolarHBondContact O-N 2.83Š| ||
| 102 | P | 29.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 100.3 | 179.6 | 29.6 | -34.8 | 0 | 0 | 0 | 112.1 | ||||
| 103 | A | 30.7 | Very low | 30.1 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -64.1 | 142.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M101 Q105 | M101-A103 PolarHBondContact O-N 2.83Å; A103-Q105 PolarHBondContact O-N 2.92Å; A103-Q105 VanDerWaalsContact O-N 3.14Å | ||
| 104 | R | 31.6 | Very low | 30 | Very low | 249 Ų | 249 | 145 Ų | 145 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 107.6 | 179.6 | -72.4 | 178.8 | 174.7 | 165.1 | -1.7 | 111 | M106 | R104-M106 PolarHBondContact O-N 3.37Š| ||
| 105 | Q | 28 | Very low | 30.4 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 117.9 | 171.1 | -162.9 | 169.2 | 23.1 | 0 | 0 | 110 | A103 | A103-Q105 PolarHBondContact O-N 2.92Å; A103-Q105 VanDerWaalsContact O-N 3.14Å | ||
| 106 | M | 29.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 143 Ų | 143 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 118.4 | 169.9 | -73.6 | -173.8 | 174.2 | 0 | 0 | 109.4 | R104 M108 | R104-M106 PolarHBondContact O-N 3.37Å; M106-M108 VanDerWaalsContact C-N 3.28Å; M106-M108 PolarHBondContact O-N 3.5Å | ||
| 107 | D | 28.7 | Very low | 30.4 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | trans | -80 | 72.3 | -178.8 | -166.4 | -0.8 | 0 | 0 | 0 | 110.9 | R109 | D107-R109 VanDerWaalsContact CG-NE 3.33Å; D107-R109 PolarHBondContact O-N 2.97Å; D107-R109 VanDerWaalsContact O-N 3.07Å; D107-R109 WeakPolarHBondContact OD1-CG 3.33Å; D107-R109 IonicContact OD1-CZ 3.92Å; D107-R109 IonicContact OD1-NE 2.69Å; D107-R109 PolarHBondContact OD1-NE 3.01Å; D107-R109 IonicContact OD1-NH2 3.45Å; D107-R109 IonicContact OD2-CZ 3.73Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.72Å; D107-R109 PolarHBondContact OD2-NE 3.26Å; D107-R109 IonicContact OD2-NH2 2.77Å; D107-R109 PolarHBondContact OD2-NH2 3.42Å | ||
| 108 | M | 32.3 | Very low | 30.6 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -71.7 | 89.8 | 170.8 | -85.7 | -79 | -72.8 | 0 | 0 | 109.8 | M106 D110 | M106-M108 VanDerWaalsContact C-N 3.28Å; M106-M108 PolarHBondContact O-N 3.5Å; M108-D110 PolarHBondContact O-N 2.88Å | ||
| 109 | R | 30.3 | Very low | 31.1 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -90.1 | 92.4 | 169 | -57.6 | -169.7 | -163 | 177.8 | 8.4 | 109.9 | D107 | D107-R109 VanDerWaalsContact CG-NE 3.33Å; D107-R109 PolarHBondContact O-N 2.97Å; D107-R109 VanDerWaalsContact O-N 3.07Å; D107-R109 WeakPolarHBondContact OD1-CG 3.33Å; D107-R109 IonicContact OD1-CZ 3.92Å; D107-R109 IonicContact OD1-NE 2.69Å; D107-R109 PolarHBondContact OD1-NE 3.01Å; D107-R109 IonicContact OD1-NH2 3.45Å; D107-R109 IonicContact OD2-CZ 3.73Å; D107-R109 VanDerWaalsContact OD2-CZ 3.26Å; D107-R109 IonicContact OD2-NE 3.72Å; D107-R109 PolarHBondContact OD2-NE 3.26Å; D107-R109 IonicContact OD2-NH2 2.77Å; D107-R109 PolarHBondContact OD2-NH2 3.42Å | ||
| 110 | D | 28.1 | Very low | 31.5 | Very low | 132 Ų | 132 | 146.6 Ų | 146.6 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -56.1 | 137.2 | 166.6 | -78.6 | -59.1 | 0 | 0 | 0 | 110.7 | M108 Q112 | M108-D110 PolarHBondContact O-N 2.88Å; D110-Q112 VanDerWaalsContact C-N 3.34Å; D110-Q112 PolarHBondContact O-N 3.45Å | ||
| 111 | A | 31.7 | Very low | 32.2 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 87 | 178 | 0 | 0 | 0 | 0 | 0 | 109.8 | S113 | A111-S113 PolarHBondContact O-N 3.3Š| ||
| 112 | Q | 31.7 | Very low | 33.3 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 94 | -176.2 | -158.6 | 167.5 | 27.8 | 0 | 0 | 111.1 | D110 D114 | D110-Q112 VanDerWaalsContact C-N 3.34Å; D110-Q112 PolarHBondContact O-N 3.45Å; Q112-D114 PolarHBondContact O-N 3.48Å | ||
| 113 | S | 31.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -76.1 | 111 | 179.7 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | A111 P115 | A111-S113 PolarHBondContact O-N 3.3Å; S113-P115 WeakPolarHBondContact O-CD 3.38Å | ||
| 114 | D | 29.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | trans | -64 | 119.6 | 172.9 | -172.3 | -25.5 | 0 | 0 | 0 | 110.9 | Q112 T116 | Q112-D114 PolarHBondContact O-N 3.48Å; D114-T116 VanDerWaalsContact C-N 3.34Å; D114-T116 PolarHBondContact O-N 3.06Å; D114-T116 WeakPolarHBondContact OD1-CB 3.26Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.43Å; D114-T116 PolarHBondContact OD1-N 3.22Å; D114-T116 VanDerWaalsContact OD1-N 3.15Å; D114-T116 PolarHBondContact OD1-OG1 3.07Å | ||
| 115 | P | 35.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -92.6 | 33.1 | -174.7 | 38.7 | -35.9 | 0 | 0 | 0 | 113.7 | S113 | S113-P115 WeakPolarHBondContact O-CD 3.38Š| ||
| 116 | T | 35.2 | Very low | 39.4 | Very low | 106 Ų | 106 | 140 Ų | 140 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -116.9 | 23 | -170.8 | 65.4 | 0 | 0 | 0 | 0 | 117.3 | D114 | D114-T116 VanDerWaalsContact C-N 3.34Å; D114-T116 PolarHBondContact O-N 3.06Å; D114-T116 WeakPolarHBondContact OD1-CB 3.26Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.43Å; D114-T116 PolarHBondContact OD1-N 3.22Å; D114-T116 VanDerWaalsContact OD1-N 3.15Å; D114-T116 PolarHBondContact OD1-OG1 3.07Å | ||
| 117 | L | 34.8 | Very low | 41.2 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | trans | -118.1 | 119.9 | 165 | -74.5 | 176 | 0 | 0 | 0 | 111.9 | ||||
| 118 | G | 31.4 | Very low | 43.4 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -90.8 | -173.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 119 | S | 36.9 | Very low | 45.6 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | trans | 80.7 | 128.3 | -179 | -161.7 | 0 | 0 | 0 | 0 | 116.8 | A121 | S119-A121 VanDerWaalsContact C-N 3.28Å; S119-A121 PolarHBondContact O-N 3.04Å | ||
| 120 | N | 36.5 | Very low | 48.2 | Very low | 151 Ų | 151 | 120.3 Ų | 120.3 | 81% | 0.807 | 67% | 0.669 | S | S | * | * | trans | -76.2 | 72 | 178 | -94.4 | -78.4 | 0 | 0 | 0 | 111.6 | K122 | N120-K122 PolarHBondContact O-N 3.24Š| ||
| 121 | A | 43.3 | Very low | 51 | Low | 95 Ų | 95 | 114.8 Ų | 114.8 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | trans | -69.5 | 73.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S119 R123 | S119-A121 VanDerWaalsContact C-N 3.28Å; S119-A121 PolarHBondContact O-N 3.04Å; A121-R123 PolarHBondContact O-N 3.36Å; A121-R123 VanDerWaalsContact O-N 3.15Å | ||
| 122 | K | 52.7 | Low | 53.5 | Low | 177 Ų | 177 | 112.7 Ų | 112.7 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | trans | -48.8 | 123.3 | 170.4 | -77.3 | 177.1 | 178.2 | 169.3 | 0 | 108 | N120 R124 | N120-K122 PolarHBondContact O-N 3.24Å; K122-R124 PolarHBondContact O-N 2.81Å | ||
| 123 | R | 56.1 | Low | 56 | Low | 243 Ų | 243 | 108.8 Ų | 108.8 | 92% | 0.917 | 60% | 0.599 | S | S | * | * | trans | -52.4 | 109.6 | 174.3 | -87.1 | -176.9 | 168.3 | -179.3 | -3.8 | 108.7 | A121 K125 | A121-R123 PolarHBondContact O-N 3.36Å; A121-R123 VanDerWaalsContact O-N 3.15Å; R123-K125 PolarHBondContact O-N 2.88Å | ||
| 124 | R | 63.7 | Low | 58.4 | Low | 144 Ų | 144 | 112.1 Ų | 112.1 | 54% | 0.543 | 60% | 0.596 | S | S | . | * | trans | -56.7 | 132.3 | -177.6 | -63.4 | 177.2 | -175 | 157.1 | -3.7 | 109 | K122 N413 | K122-R124 PolarHBondContact O-N 2.81Å; R124-N413 PolarHBondContact NH1-OD1 2.85Å; R124-N413 PolarHBondContact NH2-OD1 3.04Å | ||
| 125 | K | 66.2 | Low | 61.1 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | trans | -90 | 151.1 | -175.3 | -61.1 | 177.3 | 179.2 | 179 | 0 | 108.9 | R123 A127 D128 | R123-K125 PolarHBondContact O-N 2.88Å; K125-A127 HydrophobicContact CB-CB 4.44Å; K125-A127 PolarHBondContact O-N 3.05Å; K125-A127 VanDerWaalsContact O-N 3.15Å; K125-D128 PolarHBondContact N-OD2 3.24Å; K125-D128 VanDerWaalsContact O-CB 3.25Å; K125-D128 WeakPolarHBondContact O-CB 3.47Å; K125-D128 PolarHBondContact O-N 3.23Å | ||
| 126 | M | 63.5 | Low | 63.4 | Low | 91 Ų | 91 | 104.6 Ų | 104.6 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -59 | -28.6 | 174.7 | -164.7 | -150.9 | 145 | 0 | 0 | 112.1 | D128 K129 I130 R153 | M126-D128 PolarHBondContact O-N 2.94Å; M126-K129 PolarHBondContact O-N 2.97Å; M126-I130 HydrophobicContact CE-CD1 4.03Å; M126-I130 HydrophobicContact CE-CG1 4.39Å; M126-R153 VanDerWaalsContact CE-CZ 3.45Å |
| 127 | A | 67.6 | Low | 65.8 | Low | 65 Ų | 65 | 105.5 Ų | 105.5 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -57.1 | -31.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K125 K129 I130 | K125-A127 HydrophobicContact CB-CB 4.44Å; K125-A127 PolarHBondContact O-N 3.05Å; K125-A127 VanDerWaalsContact O-N 3.15Å; A127-K129 PolarHBondContact O-N 3.2Å; A127-I130 PolarHBondContact O-N 3.36Å |
| 128 | D | 73.1 | Confident | 68 | Low | 56 Ų | 56 | 100.9 Ų | 100.9 | 30% | 0.299 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -75.8 | -7.1 | -175.6 | -45.8 | -19.6 | 0 | 0 | 0 | 112.3 | K125 M126 H416 | K125-D128 PolarHBondContact N-OD2 3.24Å; K125-D128 VanDerWaalsContact O-CB 3.25Å; K125-D128 WeakPolarHBondContact O-CB 3.47Å; K125-D128 PolarHBondContact O-N 3.23Å; M126-D128 PolarHBondContact O-N 2.94Å; D128-H416 PolarHBondContact O-ND1 3.09Å; D128-H416 VanDerWaalsContact O-ND1 3.14Å |
| 129 | K | 79.4 | Confident | 70.6 | Confident | 37 Ų | 37 | 100.5 Ų | 100.5 | 16% | 0.161 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -99.2 | -5.2 | 167.2 | -60 | -160.5 | -169.6 | -165.4 | 0 | 113.6 | M126 A127 Y145 L149 E152 D412 I419 | M126-K129 PolarHBondContact O-N 2.97Å; A127-K129 PolarHBondContact O-N 3.2Å; K129-Y145 WeakPolarHBondContact O-CE1 3.47Å; K129-Y145 PolarHBondContact O-OH 3.14Å; K129-L149 HydrophobicContact CB-CD1 4.49Å; K129-L149 HydrophobicContact CB-CD2 4.23Å; K129-L149 HydrophobicContact CD-CD2 4.1Å; K129-L149 WeakPolarHBondContact O-CD1 3.49Å; K129-E152 IonicContact NZ-OE1 3.34Å; K129-E152 PolarHBondContact NZ-OE1 3.45Å; K129-D412 WeakPolarHBondContact CE-OD1 3.47Å; K129-D412 VanDerWaalsContact CE-OD2 3.23Å; K129-D412 WeakPolarHBondContact CE-OD2 3.03Å; K129-D412 IonicContact NZ-OD1 3.08Å; K129-D412 PolarHBondContact NZ-OD1 3.25Å; K129-D412 IonicContact NZ-OD2 2.58Å; K129-D412 PolarHBondContact NZ-OD2 2.65Å; K129-I419 WeakPolarHBondContact O-CD1 3.37Å |
| 130 | I | 85.3 | Confident | 72.8 | Confident | 63 Ų | 63 | 99.6 Ų | 99.6 | 32% | 0.323 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 127.6 | -171.1 | -64.5 | 174.2 | 0 | 0 | 0 | 111.6 | M126 A127 P132 M146 | M126-I130 HydrophobicContact CE-CD1 4.03Å; M126-I130 HydrophobicContact CE-CG1 4.39Å; A127-I130 PolarHBondContact O-N 3.36Å; I130-P132 WeakPolarHBondContact O-CD 3.48Å; I130-M146 HydrophobicContact CG2-CE 4.09Å; I130-M146 HydrophobicContact CG2-SD 4.25Å |
| 131 | L | 85.5 | Confident | 75.3 | Confident | 16 Ų | 16 | 98.7 Ų | 98.7 | 8% | 0.084 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 124.5 | 171.5 | -68.1 | 176.5 | 0 | 0 | 0 | 111.3 | R136 Y145 I419 I422 | L131-R136 HydrophobicContact CB-CG 3.83Å; L131-R136 PolarHBondContact O-NE 3.21Å; L131-Y145 HydrophobicContact CD1-CD1 3.66Å; L131-Y145 HydrophobicContact CD1-CE1 4.29Å; L131-Y145 HydrophobicContact CD1-CG 4.43Å; L131-Y145 HydrophobicContact CG-CD1 3.92Å; L131-Y145 HydrophobicContact CG-CE1 4.07Å; L131-I419 HydrophobicContact CD2-CG1 4.12Å; L131-I422 HydrophobicContact CD2-CG2 4.36Å |
| 132 | P | 85 | Confident | 77.5 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 146.6 | 177 | -24.7 | 34.9 | 0 | 0 | 0 | 112.2 | I130 R134 I135 R136 N423 | I130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-R134 VanDerWaalsContact C-N 3.31Å; P132-R134 PolarHBondContact O-N 3.34Å; P132-I135 HydrophobicContact CB-CG1 4.29Å; P132-I135 HydrophobicContact CG-CD1 4.4Å; P132-I135 WeakPolarHBondContact O-CA 3.26Å; P132-I135 WeakPolarHBondContact O-CB 3.31Å; P132-I135 PolarHBondContact O-N 2.89Å; P132-R136 PolarHBondContact O-N 3.3Å; P132-N423 WeakPolarHBondContact CG-OD1 3.43Å |
| 133 | Q | 83.7 | Confident | 79.3 | Confident | 114 Ų | 114 | 90.5 Ų | 90.5 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | -171.2 | -173.9 | 171.9 | -39.9 | 0 | 0 | 113.5 | I135 R136 E137 | Q133-I135 PolarHBondContact O-N 3.11Å; Q133-R136 WeakPolarHBondContact O-CA 3.23Å; Q133-R136 PolarHBondContact O-N 3.32Å; Q133-E137 HydrophobicContact CG-CG 4.3Å; Q133-E137 VanDerWaalsContact CG-OE1 3.3Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.14Å; Q133-E137 PolarHBondContact NE2-OE1 3.19Å; Q133-E137 WeakPolarHBondContact O-CG 3.32Å; Q133-E137 PolarHBondContact O-N 3.39Å |
| 134 | R | 82.8 | Confident | 81 | Confident | 175 Ų | 175 | 81.8 Ų | 81.8 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.4 | -9.9 | 175.3 | -61.3 | -172.2 | -172 | 179.9 | 4.6 | 114.6 | P132 L138 | P132-R134 VanDerWaalsContact C-N 3.31Å; P132-R134 PolarHBondContact O-N 3.34Å; R134-L138 VanDerWaalsContact O-CD1 3.22Å; R134-L138 WeakPolarHBondContact O-CD1 3.32Å; R134-L138 WeakPolarHBondContact O-CG 3.36Å |
| 135 | I | 84.9 | Confident | 82.3 | Confident | 12 Ų | 12 | 77.6 Ų | 77.6 | 6% | 0.062 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -95.9 | -38.9 | 170.8 | -46.7 | -159.2 | 0 | 0 | 0 | 109.6 | P132 Q133 E137 L138 V139 I422 N423 K426 | P132-I135 HydrophobicContact CB-CG1 4.29Å; P132-I135 HydrophobicContact CG-CD1 4.4Å; P132-I135 WeakPolarHBondContact O-CA 3.26Å; P132-I135 WeakPolarHBondContact O-CB 3.31Å; P132-I135 PolarHBondContact O-N 2.89Å; Q133-I135 PolarHBondContact O-N 3.11Å; I135-E137 VanDerWaalsContact C-N 3.28Å; I135-E137 PolarHBondContact O-N 3.42Å; I135-L138 WeakPolarHBondContact O-CB 3.4Å; I135-L138 PolarHBondContact O-N 2.98Å; I135-V139 PolarHBondContact O-N 2.58Å; I135-I422 HydrophobicContact CD1-CG2 3.74Å; I135-I422 HydrophobicContact CG2-CG2 3.86Å; I135-N423 VanDerWaalsContact CD1-OD1 3.25Å; I135-N423 WeakPolarHBondContact CD1-OD1 3.5Å; I135-K426 HydrophobicContact CD1-CB 3.85Å; I135-K426 HydrophobicContact CD1-CD 3.97Å; I135-K426 HydrophobicContact CD1-CG 3.87Å; I135-K426 HydrophobicContact CG1-CB 4.39Å; I135-K426 HydrophobicContact CG1-CD 3.91Å; I135-K426 HydrophobicContact CG1-CG 3.87Å |
| 136 | R | 84.8 | Confident | 83.5 | Confident | 73 Ų | 73 | 72 Ų | 72 | 28% | 0.275 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.3 | -33.9 | 176.9 | -62.2 | -170 | -77.7 | 108.8 | -0.1 | 113.2 | L131 P132 Q133 L138 S142 | L131-R136 HydrophobicContact CB-CG 3.83Å; L131-R136 PolarHBondContact O-NE 3.21Å; P132-R136 PolarHBondContact O-N 3.3Å; Q133-R136 WeakPolarHBondContact O-CA 3.23Å; Q133-R136 PolarHBondContact O-N 3.32Å; R136-L138 PolarHBondContact O-N 3.44Å; R136-S142 WeakPolarHBondContact CA-OG 3.36Å; R136-S142 WeakPolarHBondContact CB-OG 3.3Å; R136-S142 PolarHBondContact O-OG 3.49Å |
| 137 | E | 83.8 | Confident | 84.9 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.8 | 173.1 | -70.2 | 161.2 | 175.9 | 0 | 0 | 113.9 | Q133 I135 | Q133-E137 HydrophobicContact CG-CG 4.3Å; Q133-E137 VanDerWaalsContact CG-OE1 3.3Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.14Å; Q133-E137 PolarHBondContact NE2-OE1 3.19Å; Q133-E137 WeakPolarHBondContact O-CG 3.32Å; Q133-E137 PolarHBondContact O-N 3.39Å; I135-E137 VanDerWaalsContact C-N 3.28Å; I135-E137 PolarHBondContact O-N 3.42Å |
| 138 | L | 81.9 | Confident | 86.1 | Confident | 81 Ų | 81 | 74.1 Ų | 74.1 | 42% | 0.424 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -16.6 | -178.4 | -62.7 | 175.1 | 0 | 0 | 0 | 114.1 | R134 I135 R136 | R134-L138 VanDerWaalsContact O-CD1 3.22Å; R134-L138 WeakPolarHBondContact O-CD1 3.32Å; R134-L138 WeakPolarHBondContact O-CG 3.36Å; I135-L138 WeakPolarHBondContact O-CB 3.4Å; I135-L138 PolarHBondContact O-N 2.98Å; R136-L138 PolarHBondContact O-N 3.44Å |
| 139 | V | 85.1 | Confident | 87 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | trans | -139 | 106.1 | -171.7 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | I135 E141 S142 | I135-V139 PolarHBondContact O-N 2.58Å; V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 HydrophobicContact CG1-CB 4.34Å; V139-E141 VanDerWaalsContact CG1-OE2 3.26Å; V139-E141 WeakPolarHBondContact CG1-OE2 3.42Å; V139-E141 PolarHBondContact O-N 2.93Å; V139-S142 WeakPolarHBondContact O-CB 3.46Å; V139-S142 PolarHBondContact O-N 3.5Å; V139-S142 VanDerWaalsContact O-N 3.11Å; V139-S142 PolarHBondContact O-OG 2.87Å | ||
| 140 | P | 83.8 | Confident | 87.6 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 68% | 0.675 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.1 | -173.8 | 24.5 | -32.2 | 0 | 0 | 0 | 113.2 | S142 Q143 | P140-S142 PolarHBondContact O-N 3.35Å; P140-S142 VanDerWaalsContact O-N 3.14Å; P140-Q143 PolarHBondContact O-N 2.95Å |
| 141 | E | 89.3 | Confident | 88.1 | Confident | 131 Ų | 131 | 74.7 Ų | 74.7 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.4 | 176.8 | -59.9 | 74.2 | -162.8 | 0 | 0 | 112.7 | V139 Q143 A144 Y145 | V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 HydrophobicContact CG1-CB 4.34Å; V139-E141 VanDerWaalsContact CG1-OE2 3.26Å; V139-E141 WeakPolarHBondContact CG1-OE2 3.42Å; V139-E141 PolarHBondContact O-N 2.93Å; E141-Q143 PolarHBondContact O-N 3.4Å; E141-A144 WeakPolarHBondContact O-CB 3.49Å; E141-A144 PolarHBondContact O-N 3.04Å; E141-A144 VanDerWaalsContact O-N 3.09Å; E141-Y145 PolarHBondContact O-N 3.32Å |
| 142 | S | 89.8 | Confident | 88.4 | Confident | 8 Ų | 8 | 76.6 Ų | 76.6 | 6% | 0.056 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -26.4 | 177 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | R136 V139 P140 Y145 M146 | R136-S142 WeakPolarHBondContact CA-OG 3.36Å; R136-S142 WeakPolarHBondContact CB-OG 3.3Å; R136-S142 PolarHBondContact O-OG 3.49Å; V139-S142 WeakPolarHBondContact O-CB 3.46Å; V139-S142 PolarHBondContact O-N 3.5Å; V139-S142 VanDerWaalsContact O-N 3.11Å; V139-S142 PolarHBondContact O-OG 2.87Å; P140-S142 PolarHBondContact O-N 3.35Å; P140-S142 VanDerWaalsContact O-N 3.14Å; S142-Y145 PolarHBondContact O-N 3.02Å; S142-M146 WeakPolarHBondContact O-CG 3.2Å; S142-M146 PolarHBondContact O-N 2.75Å; S142-M146 VanDerWaalsContact O-N 3.08Å |
| 143 | Q | 89.4 | Confident | 88.7 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 175.5 | -179.4 | 52.2 | 44.2 | 0 | 0 | 111.1 | P140 E141 Y145 M146 D147 | P140-Q143 PolarHBondContact O-N 2.95Å; E141-Q143 PolarHBondContact O-N 3.4Å; Q143-Y145 VanDerWaalsContact C-N 3.26Å; Q143-Y145 PolarHBondContact O-N 2.7Å; Q143-M146 WeakPolarHBondContact O-CB 3.41Å; Q143-M146 PolarHBondContact O-N 2.97Å; Q143-D147 PolarHBondContact NE2-OD1 3.41Å; Q143-D147 PolarHBondContact NE2-OD2 3.02Å; Q143-D147 PolarHBondContact O-N 3.08Å |
| 144 | A | 92.2 | Very high | 89.2 | Confident | 60 Ų | 60 | 79.6 Ų | 79.6 | 50% | 0.496 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E141 D147 L148 | E141-A144 WeakPolarHBondContact O-CB 3.49Å; E141-A144 PolarHBondContact O-N 3.04Å; E141-A144 VanDerWaalsContact O-N 3.09Å; A144-D147 PolarHBondContact O-N 2.88Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.1Å |
| 145 | Y | 92.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 171.5 | 178.1 | -106.6 | 0 | 0 | 0 | 112.6 | K129 L131 E141 S142 Q143 D147 L148 L149 I415 I419 | K129-Y145 WeakPolarHBondContact O-CE1 3.47Å; K129-Y145 PolarHBondContact O-OH 3.14Å; L131-Y145 HydrophobicContact CD1-CD1 3.66Å; L131-Y145 HydrophobicContact CD1-CE1 4.29Å; L131-Y145 HydrophobicContact CD1-CG 4.43Å; L131-Y145 HydrophobicContact CG-CD1 3.92Å; L131-Y145 HydrophobicContact CG-CE1 4.07Å; E141-Y145 PolarHBondContact O-N 3.32Å; S142-Y145 PolarHBondContact O-N 3.02Å; Q143-Y145 VanDerWaalsContact C-N 3.26Å; Q143-Y145 PolarHBondContact O-N 2.7Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 3Å; Y145-L148 PolarHBondContact O-N 3.04Å; Y145-L149 HydrophobicContact CD1-CD1 4.12Å; Y145-L149 HydrophobicContact CE1-CD1 3.52Å; Y145-L149 HydrophobicContact CE1-CG 4.09Å; Y145-L149 HydrophobicContact CE2-CG 4.41Å; Y145-L149 PolarHBondContact O-N 3.36Å; Y145-I415 VanDerWaalsContact OH-CG2 3.27Å; Y145-I415 WeakPolarHBondContact OH-CG2 3.35Å; Y145-I419 HydrophobicContact CE1-CD1 4.4Å |
| 146 | M | 90.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 78.6 Ų | 78.6 | 16% | 0.158 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 175.4 | -68.6 | -61 | -58.1 | 0 | 0 | 112.8 | I130 S142 Q143 L149 A150 | I130-M146 HydrophobicContact CG2-CE 4.09Å; I130-M146 HydrophobicContact CG2-SD 4.25Å; S142-M146 WeakPolarHBondContact O-CG 3.2Å; S142-M146 PolarHBondContact O-N 2.75Å; S142-M146 VanDerWaalsContact O-N 3.08Å; Q143-M146 WeakPolarHBondContact O-CB 3.41Å; Q143-M146 PolarHBondContact O-N 2.97Å; M146-L149 PolarHBondContact O-N 2.87Å; M146-L149 HydrophobicContact SD-CD1 4.18Å; M146-A150 PolarHBondContact O-N 2.68Å |
| 147 | D | 92.6 | Very high | 90.4 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 47% | 0.465 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.4 | -35.8 | 175.4 | -68.8 | -39.9 | 0 | 0 | 0 | 112.2 | Q143 A144 Y145 A150 F151 | Q143-D147 PolarHBondContact NE2-OD1 3.41Å; Q143-D147 PolarHBondContact NE2-OD2 3.02Å; Q143-D147 PolarHBondContact O-N 3.08Å; A144-D147 PolarHBondContact O-N 2.88Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 3Å; D147-A150 CarbonylContact O-C 3.5Å; D147-A150 WeakPolarHBondContact O-CA 3.22Å; D147-A150 WeakPolarHBondContact O-CB 3.42Å; D147-A150 PolarHBondContact O-N 3.27Å; D147-A150 VanDerWaalsContact O-N 3.12Å; D147-F151 PolarHBondContact O-N 3.41Å |
| 148 | L | 94 | Very high | 90.9 | Very high | 114 Ų | 114 | 78.1 Ų | 78.1 | 60% | 0.597 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 168.8 | -73 | 170.4 | 0 | 0 | 0 | 111.6 | A144 Y145 A150 F151 E152 | A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.1Å; Y145-L148 PolarHBondContact O-N 3.04Å; L148-A150 PolarHBondContact O-N 2.96Å; L148-F151 PolarHBondContact O-N 3.4Å; L148-F151 VanDerWaalsContact O-N 3.1Å; L148-E152 WeakPolarHBondContact O-CB 3.15Å; L148-E152 PolarHBondContact O-N 3.1Å |
| 149 | L | 91.9 | Very high | 91.4 | Very high | 9 Ų | 9 | 78.1 Ų | 78.1 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.8 | -26.2 | 172.1 | -68.3 | 177.1 | 0 | 0 | 0 | 113 | K129 Y145 M146 E152 R153 | K129-L149 HydrophobicContact CB-CD1 4.49Å; K129-L149 HydrophobicContact CB-CD2 4.23Å; K129-L149 HydrophobicContact CD-CD2 4.1Å; K129-L149 WeakPolarHBondContact O-CD1 3.49Å; Y145-L149 HydrophobicContact CD1-CD1 4.12Å; Y145-L149 HydrophobicContact CE1-CD1 3.52Å; Y145-L149 HydrophobicContact CE1-CG 4.09Å; Y145-L149 HydrophobicContact CE2-CG 4.41Å; Y145-L149 PolarHBondContact O-N 3.36Å; M146-L149 PolarHBondContact O-N 2.87Å; M146-L149 HydrophobicContact SD-CD1 4.18Å; L149-E152 VanDerWaalsContact CD2-OE2 3.27Å; L149-E152 WeakPolarHBondContact CD2-OE2 3.16Å; L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-NE 3.05Å; L149-R153 PolarHBondContact O-NH2 2.99Å |
| 150 | A | 91.5 | Very high | 91.7 | Very high | 26 Ų | 26 | 80.6 Ų | 80.6 | 22% | 0.215 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -78.7 | -28 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M146 D147 L148 K154 | M146-A150 PolarHBondContact O-N 2.68Å; D147-A150 CarbonylContact O-C 3.5Å; D147-A150 WeakPolarHBondContact O-CA 3.22Å; D147-A150 WeakPolarHBondContact O-CB 3.42Å; D147-A150 PolarHBondContact O-N 3.27Å; D147-A150 VanDerWaalsContact O-N 3.12Å; L148-A150 PolarHBondContact O-N 2.96Å; A150-K154 WeakPolarHBondContact O-CD 3.5Å; A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.45Å |
| 151 | F | 95.8 | Very high | 92.2 | Very high | 132 Ų | 132 | 82.5 Ų | 82.5 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -77.2 | -47.9 | 173.2 | -178.6 | -97.7 | 0 | 0 | 0 | 112 | D147 L148 R153 K154 L155 | D147-F151 PolarHBondContact O-N 3.41Å; L148-F151 PolarHBondContact O-N 3.4Å; L148-F151 VanDerWaalsContact O-N 3.1Å; F151-R153 PolarHBondContact O-N 3.05Å; F151-K154 WeakPolarHBondContact O-CB 3.46Å; F151-K154 PolarHBondContact O-N 3.32Å; F151-L155 HydrophobicContact CE1-CD2 4.16Å; F151-L155 PolarHBondContact O-N 2.86Å |
| 152 | E | 92.5 | Very high | 92.4 | Very high | 57 Ų | 57 | 80.6 Ų | 80.6 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -44.6 | -58.3 | 172.4 | 178.4 | -161.7 | -151.4 | 0 | 0 | 110.6 | K129 L148 L149 K154 L155 D156 | K129-E152 IonicContact NZ-OE1 3.34Å; K129-E152 PolarHBondContact NZ-OE1 3.45Å; L148-E152 WeakPolarHBondContact O-CB 3.15Å; L148-E152 PolarHBondContact O-N 3.1Å; L149-E152 VanDerWaalsContact CD2-OE2 3.27Å; L149-E152 WeakPolarHBondContact CD2-OE2 3.16Å; E152-K154 VanDerWaalsContact C-N 3.29Å; E152-K154 PolarHBondContact O-N 3.4Å; E152-L155 WeakPolarHBondContact O-CB 3.35Å; E152-L155 PolarHBondContact O-N 2.79Å; E152-D156 PolarHBondContact O-N 2.89Å |
| 153 | R | 90.9 | Very high | 92.6 | Very high | 95 Ų | 95 | 84.2 Ų | 84.2 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.2 | -37.4 | 178.2 | -76.8 | 178 | -73.8 | 161.3 | -3 | 114.2 | M126 L149 F151 Q157 | M126-R153 VanDerWaalsContact CE-CZ 3.45Å; L149-R153 WeakPolarHBondContact O-CG 3.47Å; L149-R153 PolarHBondContact O-NE 3.05Å; L149-R153 PolarHBondContact O-NH2 2.99Å; F151-R153 PolarHBondContact O-N 3.05Å; R153-Q157 VanDerWaalsContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CB 3.29Å; R153-Q157 WeakPolarHBondContact O-CG 3.5Å; R153-Q157 PolarHBondContact O-N 3.08Å; R153-Q157 VanDerWaalsContact O-N 3.09Å |
| 154 | K | 94.6 | Very high | 92.8 | Very high | 138 Ų | 138 | 83.3 Ų | 83.3 | 60% | 0.6 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.1 | -37.4 | 178 | -71.6 | 169.5 | -175.6 | 172.4 | 0 | 111.3 | A150 F151 E152 T158 | A150-K154 WeakPolarHBondContact O-CD 3.5Å; A150-K154 VanDerWaalsContact O-CG 3.31Å; A150-K154 WeakPolarHBondContact O-CG 3.45Å; F151-K154 WeakPolarHBondContact O-CB 3.46Å; F151-K154 PolarHBondContact O-N 3.32Å; E152-K154 VanDerWaalsContact C-N 3.29Å; E152-K154 PolarHBondContact O-N 3.4Å; K154-T158 WeakPolarHBondContact O-CB 3.36Å; K154-T158 PolarHBondContact O-N 2.77Å; K154-T158 VanDerWaalsContact O-N 3.16Å; K154-T158 PolarHBondContact O-OG1 2.9Å |
| 155 | L | 93.8 | Very high | 92.8 | Very high | 81 Ų | 81 | 83.6 Ų | 83.6 | 42% | 0.424 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -50.7 | 175.9 | -178.5 | 59.7 | 0 | 0 | 0 | 110.3 | F151 E152 Q157 T158 I159 | F151-L155 HydrophobicContact CE1-CD2 4.16Å; F151-L155 PolarHBondContact O-N 2.86Å; E152-L155 WeakPolarHBondContact O-CB 3.35Å; E152-L155 PolarHBondContact O-N 2.79Å; L155-Q157 PolarHBondContact O-N 3.14Å; L155-T158 CarbonylContact O-C 3.56Å; L155-T158 WeakPolarHBondContact O-CA 3.24Å; L155-T158 WeakPolarHBondContact O-CB 3.27Å; L155-T158 PolarHBondContact O-N 3.02Å; L155-I159 HydrophobicContact CD1-CD1 3.99Å; L155-I159 HydrophobicContact CD1-CG1 4.27Å; L155-I159 HydrophobicContact CG-CD1 3.81Å; L155-I159 HydrophobicContact CG-CG1 4.47Å; L155-I159 WeakPolarHBondContact O-CG1 3.31Å; L155-I159 PolarHBondContact O-N 3.25Å |
| 156 | D | 91.3 | Very high | 92.8 | Very high | 85 Ų | 85 | 82.3 Ų | 82.3 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 178 | -72.1 | -17 | 0 | 0 | 0 | 112.6 | E152 T158 I159 M160 | E152-D156 PolarHBondContact O-N 2.89Å; D156-T158 PolarHBondContact O-N 2.96Å; D156-I159 PolarHBondContact O-N 3.07Å; D156-M160 VanDerWaalsContact O-CB 3.29Å; D156-M160 WeakPolarHBondContact O-CB 3Å; D156-M160 PolarHBondContact O-N 3.09Å |
| 157 | Q | 92.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 86 Ų | 86 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.2 | -22 | 173.2 | -75.5 | 172.3 | 21.7 | 0 | 0 | 113.4 | R153 L155 R161 | R153-Q157 VanDerWaalsContact O-CB 3.28Å; R153-Q157 WeakPolarHBondContact O-CB 3.29Å; R153-Q157 WeakPolarHBondContact O-CG 3.5Å; R153-Q157 PolarHBondContact O-N 3.08Å; R153-Q157 VanDerWaalsContact O-N 3.09Å; L155-Q157 PolarHBondContact O-N 3.14Å; Q157-R161 WeakPolarHBondContact O-CB 3.46Å; Q157-R161 PolarHBondContact O-NE 3.13Å |
| 158 | T | 94.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 85.5 Ų | 85.5 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -87.7 | -43.7 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | K154 L155 D156 R161 K162 | K154-T158 WeakPolarHBondContact O-CB 3.36Å; K154-T158 PolarHBondContact O-N 2.77Å; K154-T158 VanDerWaalsContact O-N 3.16Å; K154-T158 PolarHBondContact O-OG1 2.9Å; L155-T158 CarbonylContact O-C 3.56Å; L155-T158 WeakPolarHBondContact O-CA 3.24Å; L155-T158 WeakPolarHBondContact O-CB 3.27Å; L155-T158 PolarHBondContact O-N 3.02Å; D156-T158 PolarHBondContact O-N 2.96Å; T158-R161 PolarHBondContact O-N 3.34Å; T158-K162 WeakPolarHBondContact O-CB 3.27Å; T158-K162 VanDerWaalsContact O-CG 3.31Å; T158-K162 WeakPolarHBondContact O-CG 3.46Å; T158-K162 PolarHBondContact O-N 3.35Å |
| 159 | I | 91.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 81.7 Ų | 81.7 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61 | -51.2 | 175.3 | -68.1 | 170.2 | 0 | 0 | 0 | 110.5 | L155 D156 R161 K162 R163 | L155-I159 HydrophobicContact CD1-CD1 3.99Å; L155-I159 HydrophobicContact CD1-CG1 4.27Å; L155-I159 HydrophobicContact CG-CD1 3.81Å; L155-I159 HydrophobicContact CG-CG1 4.47Å; L155-I159 WeakPolarHBondContact O-CG1 3.31Å; L155-I159 PolarHBondContact O-N 3.25Å; D156-I159 PolarHBondContact O-N 3.07Å; I159-R161 VanDerWaalsContact C-N 3.34Å; I159-R161 PolarHBondContact O-N 3.38Å; I159-K162 PolarHBondContact O-N 2.97Å; I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 PolarHBondContact O-N 3.22Å |
| 160 | M | 91.6 | Very high | 92.6 | Very high | 115 Ų | 115 | 83.3 Ų | 83.3 | 57% | 0.567 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | -179.2 | -176.4 | 57.5 | -175.4 | 0 | 0 | 111.8 | D156 R163 V164 | D156-M160 VanDerWaalsContact O-CB 3.29Å; D156-M160 WeakPolarHBondContact O-CB 3Å; D156-M160 PolarHBondContact O-N 3.09Å; M160-R163 WeakPolarHBondContact O-CB 3.47Å; M160-R163 PolarHBondContact O-N 3.3Å; M160-V164 HydrophobicContact CE-CG2 4.21Å; M160-V164 WeakPolarHBondContact O-CG2 3.32Å; M160-V164 PolarHBondContact O-N 2.95Å |
| 161 | R | 94.6 | Very high | 92.4 | Very high | 144 Ų | 144 | 89 Ų | 89 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 173.1 | -171.7 | -169.4 | -35.6 | -154.2 | 3.7 | 111.3 | Q157 T158 I159 R163 V164 D165 | Q157-R161 WeakPolarHBondContact O-CB 3.46Å; Q157-R161 PolarHBondContact O-NE 3.13Å; T158-R161 PolarHBondContact O-N 3.34Å; I159-R161 VanDerWaalsContact C-N 3.34Å; I159-R161 PolarHBondContact O-N 3.38Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.41Å; R161-V164 PolarHBondContact O-N 3.03Å; R161-V164 VanDerWaalsContact O-N 3.15Å; R161-D165 PolarHBondContact O-N 3.38Å |
| 162 | K | 93.8 | Very high | 91.8 | Very high | 90 Ų | 90 | 90.2 Ų | 90.2 | 39% | 0.391 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 176.9 | -72.6 | -73.6 | 157.9 | -137 | 0 | 112.7 | T158 I159 D165 I166 | T158-K162 WeakPolarHBondContact O-CB 3.27Å; T158-K162 VanDerWaalsContact O-CG 3.31Å; T158-K162 WeakPolarHBondContact O-CG 3.46Å; T158-K162 PolarHBondContact O-N 3.35Å; I159-K162 PolarHBondContact O-N 2.97Å; K162-D165 WeakPolarHBondContact CD-OD2 3.41Å; K162-D165 WeakPolarHBondContact CE-OD2 3.45Å; K162-D165 IonicContact NZ-OD2 3.86Å; K162-D165 PolarHBondContact NZ-OD2 3.11Å; K162-D165 PolarHBondContact O-N 2.9Å; K162-I166 WeakPolarHBondContact O-CB 3.31Å; K162-I166 WeakPolarHBondContact O-CD1 3.17Å; K162-I166 WeakPolarHBondContact O-CG1 3.39Å; K162-I166 PolarHBondContact O-N 2.88Å |
| 163 | R | 92.9 | Very high | 91.2 | Very high | 85 Ų | 85 | 91.7 Ų | 91.7 | 32% | 0.321 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 171.9 | -167.5 | 179.3 | 176.2 | 89.6 | 5.7 | 110.9 | I159 M160 R161 Q167 L399 | I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 PolarHBondContact O-N 3.22Å; M160-R163 WeakPolarHBondContact O-CB 3.47Å; M160-R163 PolarHBondContact O-N 3.3Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.41Å; R163-Q167 WeakPolarHBondContact O-CB 3.35Å; R163-Q167 PolarHBondContact O-N 3.32Å; R163-L399 HydrophobicContact CB-CD2 4.35Å; R163-L399 HydrophobicContact CG-CD2 3.56Å; R163-L399 VanDerWaalsContact CZ-O 3.25Å; R163-L399 PolarHBondContact NH1-O 3.45Å; R163-L399 VanDerWaalsContact NH1-O 3.09Å; R163-L399 PolarHBondContact NH2-O 3.43Å; R163-L399 WeakPolarHBondContact O-CD2 3.41Å |
| 164 | V | 93.6 | Very high | 90.9 | Very high | 72 Ų | 72 | 89 Ų | 89 | 44% | 0.436 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 174.1 | 175.5 | 0 | 0 | 0 | 0 | 112.1 | M160 R161 I166 Q167 E168 | M160-V164 HydrophobicContact CE-CG2 4.21Å; M160-V164 WeakPolarHBondContact O-CG2 3.32Å; M160-V164 PolarHBondContact O-N 2.95Å; R161-V164 PolarHBondContact O-N 3.03Å; R161-V164 VanDerWaalsContact O-N 3.15Å; V164-I166 VanDerWaalsContact C-N 3.29Å; V164-I166 PolarHBondContact O-N 2.73Å; V164-Q167 PolarHBondContact O-N 3.12Å; V164-E168 WeakPolarHBondContact O-CB 3.47Å; V164-E168 PolarHBondContact O-N 2.88Å |
| 165 | D | 93.2 | Very high | 90.5 | Very high | 67 Ų | 67 | 85.3 Ų | 85.3 | 36% | 0.358 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.1 | -45.4 | 175.4 | -64.9 | -20.5 | 0 | 0 | 0 | 111 | R161 K162 E168 A169 | R161-D165 PolarHBondContact O-N 3.38Å; K162-D165 WeakPolarHBondContact CD-OD2 3.41Å; K162-D165 WeakPolarHBondContact CE-OD2 3.45Å; K162-D165 IonicContact NZ-OD2 3.86Å; K162-D165 PolarHBondContact NZ-OD2 3.11Å; K162-D165 PolarHBondContact O-N 2.9Å; D165-E168 PolarHBondContact O-N 2.91Å; D165-A169 WeakPolarHBondContact O-CB 3.3Å; D165-A169 PolarHBondContact O-N 3.25Å |
| 166 | I | 92.2 | Very high | 90.3 | Very high | 29 Ų | 29 | 83.5 Ų | 83.5 | 15% | 0.149 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 178.2 | -69.1 | 164.7 | 0 | 0 | 0 | 110.9 | K162 V164 E168 A169 L170 M395 F398 L399 | K162-I166 WeakPolarHBondContact O-CB 3.31Å; K162-I166 WeakPolarHBondContact O-CD1 3.17Å; K162-I166 WeakPolarHBondContact O-CG1 3.39Å; K162-I166 PolarHBondContact O-N 2.88Å; V164-I166 VanDerWaalsContact C-N 3.29Å; V164-I166 PolarHBondContact O-N 2.73Å; I166-E168 VanDerWaalsContact C-N 3.31Å; I166-E168 PolarHBondContact O-N 2.77Å; I166-A169 PolarHBondContact O-N 3.45Å; I166-L170 HydrophobicContact CG2-CD1 4.16Å; I166-L170 HydrophobicContact CG2-CG 4.42Å; I166-L170 WeakPolarHBondContact O-CB 3.36Å; I166-L170 WeakPolarHBondContact O-CG 3.25Å; I166-L170 PolarHBondContact O-N 3Å; I166-M395 HydrophobicContact CG1-CE 4.47Å; I166-M395 HydrophobicContact CG2-CB 3.67Å; I166-M395 HydrophobicContact CG2-CG 3.79Å; I166-M395 HydrophobicContact CG2-SD 4.1Å; I166-F398 HydrophobicContact CD1-CD1 3.61Å; I166-F398 HydrophobicContact CD1-CE1 3.68Å; I166-L399 HydrophobicContact CB-CD2 4.21Å; I166-L399 HydrophobicContact CG2-CD1 4.14Å; I166-L399 HydrophobicContact CG2-CD2 3.97Å; I166-L399 HydrophobicContact CG2-CG 3.94Å |
| 167 | Q | 92.1 | Very high | 90.2 | Very high | 111 Ų | 111 | 86 Ų | 86 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 177.1 | -170.9 | 179.4 | 5 | 0 | 0 | 112.3 | R163 V164 L399 | R163-Q167 WeakPolarHBondContact O-CB 3.35Å; R163-Q167 PolarHBondContact O-N 3.32Å; V164-Q167 PolarHBondContact O-N 3.12Å; Q167-L399 HydrophobicContact CB-CD1 4Å; Q167-L399 HydrophobicContact CG-CD1 4.39Å |
| 168 | E | 92.2 | Very high | 90.1 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.6 | -39.8 | 172.9 | 175.6 | 56.1 | -150.3 | 0 | 0 | 112 | V164 D165 I166 L170 K171 R172 | V164-E168 WeakPolarHBondContact O-CB 3.47Å; V164-E168 PolarHBondContact O-N 2.88Å; D165-E168 PolarHBondContact O-N 2.91Å; I166-E168 VanDerWaalsContact C-N 3.31Å; I166-E168 PolarHBondContact O-N 2.77Å; E168-L170 PolarHBondContact O-N 2.8Å; E168-K171 WeakPolarHBondContact O-CB 3.44Å; E168-K171 PolarHBondContact O-N 3.5Å; E168-K171 WeakPolarHBondContact OE2-CD 3.41Å; E168-K171 WeakPolarHBondContact OE2-CE 3.13Å; E168-K171 IonicContact OE2-NZ 2.77Å; E168-K171 PolarHBondContact OE2-NZ 3.21Å; E168-R172 IonicContact OE1-CZ 3.1Å; E168-R172 IonicContact OE1-NE 2.66Å; E168-R172 IonicContact OE1-NH2 3.12Å; E168-R172 PolarHBondContact OE1-NH2 2.88Å |
| 169 | A | 89.8 | Confident | 90 | Very high | 34 Ų | 34 | 84.1 Ų | 84.1 | 28% | 0.281 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D165 I166 K171 R172 | D165-A169 WeakPolarHBondContact O-CB 3.3Å; D165-A169 PolarHBondContact O-N 3.25Å; I166-A169 PolarHBondContact O-N 3.45Å; A169-K171 PolarHBondContact O-N 2.94Å; A169-R172 WeakPolarHBondContact O-CB 3.39Å; A169-R172 PolarHBondContact O-N 2.9Å |
| 170 | L | 89.4 | Confident | 90.2 | Very high | 44 Ų | 44 | 80.2 Ų | 80.2 | 23% | 0.23 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.7 | 179.6 | -76.5 | 176.5 | 0 | 0 | 0 | 114.7 | I166 E168 R172 M174 K392 M395 L399 | I166-L170 HydrophobicContact CG2-CD1 4.16Å; I166-L170 HydrophobicContact CG2-CG 4.42Å; I166-L170 WeakPolarHBondContact O-CB 3.36Å; I166-L170 WeakPolarHBondContact O-CG 3.25Å; I166-L170 PolarHBondContact O-N 3Å; E168-L170 PolarHBondContact O-N 2.8Å; L170-R172 PolarHBondContact O-N 3.1Å; L170-M174 HydrophobicContact CD2-SD 4.34Å; L170-K392 HydrophobicContact CD2-CB 4.37Å; L170-K392 HydrophobicContact CD2-CG 3.78Å; L170-M395 HydrophobicContact CD1-CB 4.04Å; L170-M395 HydrophobicContact CD2-CB 3.9Å; L170-M395 HydrophobicContact CD2-SD 4.29Å; L170-M395 HydrophobicContact CG-CB 4.12Å; L170-M395 HydrophobicContact CG-SD 4.44Å; L170-L399 HydrophobicContact CD1-CD1 3.66Å; L170-L399 HydrophobicContact CD1-CG 4.49Å |
| 171 | K | 86.3 | Confident | 90.3 | Very high | 144 Ų | 144 | 78.6 Ų | 78.6 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.7 | 170.6 | -63.3 | 173.9 | -164 | 165.7 | 0 | 112.5 | E168 A169 | E168-K171 WeakPolarHBondContact O-CB 3.44Å; E168-K171 PolarHBondContact O-N 3.5Å; E168-K171 WeakPolarHBondContact OE2-CD 3.41Å; E168-K171 WeakPolarHBondContact OE2-CE 3.13Å; E168-K171 IonicContact OE2-NZ 2.77Å; E168-K171 PolarHBondContact OE2-NZ 3.21Å; A169-K171 PolarHBondContact O-N 2.94Å |
| 172 | R | 84.5 | Confident | 90.4 | Very high | 159 Ų | 159 | 71.8 Ų | 71.8 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -95.2 | 135 | -177.8 | -53.3 | -177.1 | -171.6 | -161.2 | -1 | 108.8 | E168 A169 L170 M174 | E168-R172 IonicContact OE1-CZ 3.1Å; E168-R172 IonicContact OE1-NE 2.66Å; E168-R172 IonicContact OE1-NH2 3.12Å; E168-R172 PolarHBondContact OE1-NH2 2.88Å; A169-R172 WeakPolarHBondContact O-CB 3.39Å; A169-R172 PolarHBondContact O-N 2.9Å; L170-R172 PolarHBondContact O-N 3.1Å; R172-M174 PolarHBondContact O-N 2.82Å |
| 173 | P | 79.8 | Confident | 90.4 | Very high | 87 Ų | 87 | 70.8 Ų | 70.8 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | trans | -60 | 105.7 | 177.2 | -25.1 | 34.7 | 0 | 0 | 0 | 112 | K175 P283 | P173-K175 HydrophobicContact CB-CG 4.41Å; P173-K175 PolarHBondContact O-N 3.01Å; P173-P283 HydrophobicContact CG-CG 4Å | ||
| 174 | M | 84.8 | Confident | 90.5 | Very high | 38 Ų | 38 | 66.7 Ų | 66.7 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | trans | -84.6 | 91.3 | 173.4 | -61.7 | -177.6 | 71.5 | 0 | 0 | 109.1 | L170 R172 D389 L391 M395 | L170-M174 HydrophobicContact CD2-SD 4.34Å; R172-M174 PolarHBondContact O-N 2.82Å; M174-D389 HydrophobicContact CB-CB 3.95Å; M174-D389 PolarHBondContact O-N 2.86Å; M174-L391 HydrophobicContact CE-CB 4.23Å; M174-L391 HydrophobicContact CE-CD2 3.86Å; M174-L391 HydrophobicContact CE-CG 4.05Å; M174-M395 HydrophobicContact CE-SD 4.2Å; M174-M395 HydrophobicContact SD-SD 4Å | ||
| 175 | K | 86.4 | Confident | 90.4 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 27% | 0.27 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.7 | 177.2 | -56.8 | -61.4 | -166.9 | -177.7 | 0 | 110.9 | P173 Q282 E386 V387 E388 | P173-K175 HydrophobicContact CB-CG 4.41Å; P173-K175 PolarHBondContact O-N 3.01Å; K175-Q282 WeakPolarHBondContact CE-O 3.31Å; K175-E386 HydrophobicContact CB-CB 4.24Å; K175-V387 CarbonylContact C-O 3.14Å; K175-V387 VanDerWaalsContact CA-O 3.25Å; K175-V387 WeakPolarHBondContact CA-O 3.49Å; K175-E388 IonicContact NZ-OE1 2.68Å; K175-E388 PolarHBondContact NZ-OE1 2.72Å |
| 176 | Q | 88.4 | Confident | 90.3 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 20% | 0.201 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.4 | 171.7 | 54.2 | 173.9 | -14.5 | 0 | 0 | 109.7 | V387 E388 | Q176-V387 HydrophobicContact CG-CB 4.28Å; Q176-V387 PolarHBondContact N-O 2.94Å; Q176-V387 PolarHBondContact O-N 3.23Å; Q176-E388 PolarHBondContact NE2-O 3.22Å |
| 177 | K | 89.6 | Confident | 90.2 | Very high | 138 Ų | 138 | 62.5 Ų | 62.5 | 60% | 0.6 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 143.9 | 172.6 | -66.3 | -167.3 | 174.6 | -166.9 | 0 | 111 | V385 E386 | K177-V385 WeakPolarHBondContact CA-O 3.47Å; K177-E386 HydrophobicContact CG-CG 4.26Å |
| 178 | R | 90.9 | Very high | 90 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 157.6 | 172.1 | -78.8 | -62.9 | -176.7 | -68.6 | -5.7 | 109.9 | L213 D215 D384 V385 V387 | R178-L213 HydrophobicContact CB-CD1 3.77Å; R178-L213 HydrophobicContact CB-CG 4.44Å; R178-D215 PolarHBondContact NE-O 2.88Å; R178-D384 WeakPolarHBondContact O-CA 3.33Å; R178-V385 PolarHBondContact N-O 2.96Å; R178-V385 PolarHBondContact O-N 3.05Å; R178-V387 HydrophobicContact CB-CG2 3.99Å; R178-V387 HydrophobicContact CG-CG2 4.07Å |
| 179 | K | 93.4 | Very high | 89.8 | Confident | 82 Ų | 82 | 57.8 Ų | 57.8 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.6 | 171.3 | -65.4 | -56.8 | -168.6 | 178.4 | 0 | 110.1 | L214 D382 I383 D384 | K179-L214 HydrophobicContact CB-CB 4.28Å; K179-L214 HydrophobicContact CB-CD1 3.94Å; K179-L214 HydrophobicContact CB-CG 4.28Å; K179-L214 WeakPolarHBondContact O-CB 3.41Å; K179-L214 PolarHBondContact O-N 3.03Å; K179-D382 HydrophobicContact CD-CB 4.27Å; K179-I383 CarbonylContact C-O 3.54Å; K179-I383 WeakPolarHBondContact CA-O 3.24Å; K179-D384 WeakPolarHBondContact CD-OD1 3.4Å; K179-D384 VanDerWaalsContact CE-OD1 3.28Å; K179-D384 WeakPolarHBondContact CE-OD1 3.25Å; K179-D384 IonicContact NZ-OD1 2.65Å; K179-D384 PolarHBondContact NZ-OD1 3.1Å; K179-D384 IonicContact NZ-OD2 2.65Å; K179-D384 PolarHBondContact NZ-OD2 2.7Å |
| 180 | L | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 114.1 | 163.6 | 178.8 | 67.2 | 0 | 0 | 0 | 107.2 | L182 L213 F224 F227 F228 I383 V385 | L180-L182 HydrophobicContact CD2-CD1 4.2Å; L180-L182 HydrophobicContact CG-CD1 4.05Å; L180-L213 HydrophobicContact CB-CD1 4.5Å; L180-F224 HydrophobicContact CD1-CD2 4.42Å; L180-F224 HydrophobicContact CD2-CD2 4.11Å; L180-F224 HydrophobicContact CD2-CE2 4.18Å; L180-F227 HydrophobicContact CD1-CD2 4.11Å; L180-F227 HydrophobicContact CD1-CE2 4.15Å; L180-F227 HydrophobicContact CD2-CB 4.02Å; L180-F227 HydrophobicContact CD2-CD2 3.92Å; L180-F227 HydrophobicContact CD2-CG 4.04Å; L180-F228 HydrophobicContact CD2-CE2 3.66Å; L180-F228 HydrophobicContact CD2-CZ 3.7Å; L180-I383 PolarHBondContact N-O 2.99Å; L180-I383 PolarHBondContact O-N 3.41Å; L180-V385 HydrophobicContact CB-CB 4.47Å; L180-V385 HydrophobicContact CB-CG1 3.74Å; L180-V385 HydrophobicContact CB-CG2 3.84Å; L180-V385 HydrophobicContact CD2-CG1 3.89Å; L180-V385 HydrophobicContact CG-CG1 4.48Å |
| 181 | R | 94.9 | Very high | 89.1 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.9 | 174.3 | -176.4 | 160.4 | -69 | 174.8 | 1.8 | 109.6 | Y183 G211 K212 L214 Y381 D382 | R181-Y183 HydrophobicContact CB-CE2 4.32Å; R181-Y183 WeakPolarHBondContact CD-OH 3.4Å; R181-Y183 HydrophobicContact CG-CE1 4.17Å; R181-Y183 HydrophobicContact CG-CE2 3.93Å; R181-G211 CarbonylContact O-C 3.54Å; R181-G211 WeakPolarHBondContact O-CA 3.32Å; R181-K212 PolarHBondContact N-O 2.94Å; R181-K212 PolarHBondContact O-N 3.15Å; R181-L214 HydrophobicContact CB-CD1 4.23Å; R181-L214 HydrophobicContact CB-CD2 3.88Å; R181-L214 HydrophobicContact CB-CG 4.05Å; R181-Y381 CarbonylContact C-O 3.57Å; R181-Y381 WeakPolarHBondContact CA-O 3.34Å; R181-D382 WeakPolarHBondContact CA-OD1 3.46Å; R181-D382 VanDerWaalsContact CB-OD1 3.27Å; R181-D382 WeakPolarHBondContact CB-OD1 3.34Å; R181-D382 WeakPolarHBondContact CG-OD1 3.28Å; R181-D382 IonicContact CZ-OD1 2.7Å; R181-D382 IonicContact CZ-OD2 2.94Å; R181-D382 IonicContact NE-OD1 2.77Å; R181-D382 PolarHBondContact NE-OD1 3.37Å; R181-D382 IonicContact NE-OD2 3.05Å; R181-D382 IonicContact NH2-OD1 3.75Å; R181-D382 PolarHBondContact NH2-OD1 3.02Å; R181-D382 IonicContact NH2-OD2 3.26Å; R181-D382 PolarHBondContact NH2-OD2 3.24Å |
| 182 | L | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 146.5 | 170.7 | -74.9 | 79.1 | 0 | 0 | 0 | 109.6 | L180 E210 F224 L277 C380 Y381 I383 | L180-L182 HydrophobicContact CD2-CD1 4.2Å; L180-L182 HydrophobicContact CG-CD1 4.05Å; L182-E210 CarbonylContact C-O 3.59Å; L182-E210 WeakPolarHBondContact CA-O 3.18Å; L182-F224 HydrophobicContact CD1-CE2 4.22Å; L182-F224 HydrophobicContact CD2-CE2 3.81Å; L182-F224 HydrophobicContact CD2-CZ 3.82Å; L182-F224 HydrophobicContact CG-CE2 3.67Å; L182-F224 HydrophobicContact CG-CZ 4.12Å; L182-L277 HydrophobicContact CD2-CD1 3.49Å; L182-L277 VanDerWaalsContact CD2-CD1 3.49Å; L182-L277 HydrophobicContact CD2-CD2 4.43Å; L182-C380 WeakPolarHBondContact O-CA 3.33Å; L182-Y381 PolarHBondContact N-O 3.15Å; L182-Y381 PolarHBondContact O-N 3.06Å; L182-Y381 VanDerWaalsContact O-N 3.07Å; L182-I383 HydrophobicContact CD1-CB 4.25Å; L182-I383 HydrophobicContact CD1-CD1 3.56Å; L182-I383 HydrophobicContact CD1-CG1 3.88Å; L182-I383 HydrophobicContact CD2-CD1 4.14Å |
| 183 | Y | 94.9 | Very high | 87.5 | Confident | 69 Ų | 69 | 59.1 Ų | 59.1 | 27% | 0.271 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.4 | 176 | -61.5 | -83.7 | 0 | 0 | 0 | 107.5 | R181 E210 K212 T378 | R181-Y183 HydrophobicContact CB-CE2 4.32Å; R181-Y183 WeakPolarHBondContact CD-OH 3.4Å; R181-Y183 HydrophobicContact CG-CE1 4.17Å; R181-Y183 HydrophobicContact CG-CE2 3.93Å; Y183-E210 PolarHBondContact N-O 3.41Å; Y183-E210 PolarHBondContact O-N 3.32Å; Y183-K212 HydrophobicContact CE2-CB 4.11Å; Y183-T378 HydrophobicContact CD1-CG2 3.89Å; Y183-T378 HydrophobicContact CG-CG2 4.33Å |
| 184 | I | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.8 | 175.6 | -57.5 | 175.7 | 0 | 0 | 0 | 107.1 | L207 R208 V209 L275 I364 T378 A379 Y381 | I184-L207 HydrophobicContact CG2-CD1 3.77Å; I184-R208 WeakPolarHBondContact CA-O 3.36Å; I184-V209 HydrophobicContact CG1-CG1 4.48Å; I184-L275 HydrophobicContact CD1-CD1 4.15Å; I184-L275 HydrophobicContact CD1-CD2 3.8Å; I184-L275 HydrophobicContact CG1-CD2 4.37Å; I184-I364 HydrophobicContact CD1-CD1 4.37Å; I184-I364 HydrophobicContact CD1-CG2 3.9Å; I184-T378 CarbonylContact O-C 3.47Å; I184-T378 WeakPolarHBondContact O-CA 3.46Å; I184-A379 HydrophobicContact CB-CB 4.44Å; I184-A379 PolarHBondContact N-O 3.47Å; I184-A379 PolarHBondContact O-N 3.35Å; I184-Y381 HydrophobicContact CD1-CD2 4.06Å; I184-Y381 HydrophobicContact CD1-CE2 3.9Å |
| 185 | S | 92.1 | Very high | 85 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.5 | 177.1 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | R208 | S185-R208 PolarHBondContact N-O 2.86Å; S185-R208 PolarHBondContact O-N 2.89Å |
| 186 | N | 91.1 | Very high | 83.5 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.032 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.8 | 176.9 | 58.6 | -59.6 | 0 | 0 | 0 | 110.4 | E206 I368 S369 | N186-E206 CarbonylContact C-O 3.57Å; N186-E206 VanDerWaalsContact CA-O 3.31Å; N186-E206 WeakPolarHBondContact CA-O 3.38Å; N186-I368 HydrophobicContact CB-CG2 4.07Å; N186-S369 PolarHBondContact ND2-N 2.97Å; N186-S369 PolarHBondContact ND2-O 3.22Å |
| 187 | T | 89.4 | Confident | 81.8 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.4 | 172.4 | -53.1 | 0 | 0 | 0 | 0 | 108.4 | W205 E206 | T187-W205 CarbonylContact O-C 3.56Å; T187-W205 WeakPolarHBondContact O-CA 3.47Å; T187-E206 PolarHBondContact N-O 2.84Å; T187-E206 PolarHBondContact O-N 3.43Å |
| 188 | F | 89.2 | Confident | 80.1 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 11% | 0.11 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.5 | 176.3 | 171.5 | -109.2 | 0 | 0 | 0 | 111.2 | P190 A203 W205 G267 V370 Q375 | F188-P190 HydrophobicContact CE1-CB 3.93Å; F188-P190 HydrophobicContact CZ-CB 4.36Å; F188-P190 WeakPolarHBondContact O-CD 3.22Å; F188-A203 HydrophobicContact CE2-CB 4.15Å; F188-A203 HydrophobicContact CZ-CB 4.18Å; F188-W205 HydrophobicContact CD2-CB 4.46Å; F188-G267 WeakPolarHBondContact CE2-O 3.47Å; F188-V370 HydrophobicContact CB-CB 4.45Å; F188-V370 HydrophobicContact CD1-CB 3.9Å; F188-V370 HydrophobicContact CD1-CG1 4.5Å; F188-V370 WeakPolarHBondContact CD1-O 3.48Å; F188-V370 HydrophobicContact CD2-CB 4.02Å; F188-V370 HydrophobicContact CD2-CG1 3.71Å; F188-V370 HydrophobicContact CE1-CB 4.07Å; F188-V370 HydrophobicContact CE2-CB 4.21Å; F188-V370 HydrophobicContact CE2-CG1 3.88Å; F188-V370 HydrophobicContact CG-CB 3.85Å; F188-V370 HydrophobicContact CG-CG1 4.03Å; F188-V370 HydrophobicContact CZ-CB 4.22Å; F188-V370 HydrophobicContact CZ-CG1 4.33Å; F188-Q375 PolarHBondContact O-NE2 3.26Å |
| 189 | N | 86.6 | Confident | 78.2 | Confident | 63 Ų | 63 | 76 Ų | 76 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 105.7 | 177 | -52.9 | -86.1 | 0 | 0 | 0 | 108 | A203 S204 | N189-A203 WeakPolarHBondContact O-CA 3.44Å; N189-S204 WeakPolarHBondContact CB-O 3.5Å; N189-S204 PolarHBondContact N-O 2.95Å; N189-S204 PolarHBondContact ND2-O 2.79Å; N189-S204 VanDerWaalsContact ND2-O 3.13Å; N189-S204 PolarHBondContact O-N 3.16Å |
| 190 | P | 83.8 | Confident | 76.5 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 158.4 | 177.2 | 29.1 | -35.3 | 0 | 0 | 0 | 111.1 | F188 | F188-P190 HydrophobicContact CE1-CB 3.93Å; F188-P190 HydrophobicContact CZ-CB 4.36Å; F188-P190 WeakPolarHBondContact O-CD 3.22Å |
| 191 | A | 81 | Confident | 75.3 | Confident | 57 Ų | 57 | 77 Ų | 77 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 138 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S201 A203 | A191-S201 WeakPolarHBondContact CA-O 3.39Å; A191-S201 WeakPolarHBondContact CB-O 3.31Å; A191-A203 HydrophobicContact CB-CB 4.19Å |
| 192 | K | 77 | Confident | 74.7 | Confident | 151 Ų | 151 | 78.9 Ų | 78.9 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 129.7 | 168.5 | -67.9 | -175.5 | 176.6 | -176.6 | 0 | 109.1 | ||
| 193 | P | 62 | Low | 74.3 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 76% | 0.76 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -73.2 | -37.6 | 176.9 | 28.4 | -32.4 | 0 | 0 | 0 | 112.1 | A195 | P193-A195 PolarHBondContact O-N 3.42Š|
| 194 | D | 58.3 | Low | 74 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 77% | 0.765 | 46% | 0.46 | S | S | * | . | trans | -96.3 | 95.9 | -173.6 | -46.2 | -57.3 | 0 | 0 | 0 | 110.6 | ||||
| 195 | A | 53.2 | Low | 73.9 | Confident | 55 Ų | 55 | 77 Ų | 77 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | trans | -140.5 | 77.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P193 D197 | P193-A195 PolarHBondContact O-N 3.42Å; A195-D197 PolarHBondContact O-N 2.66Å | ||
| 196 | D | 54.8 | Low | 73.9 | Confident | 161 Ų | 161 | 77.2 Ų | 77.2 | 86% | 0.861 | 46% | 0.459 | S | S | * | . | trans | -62.3 | 128.2 | 171.9 | -72.6 | -44 | 0 | 0 | 0 | 110.3 | ||||
| 197 | D | 52.4 | Low | 74 | Confident | 157 Ų | 157 | 77 Ų | 77 | 84% | 0.84 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 55.8 | 111.6 | 178.9 | -72 | -36.5 | 0 | 0 | 0 | 118.8 | A195 | A195-D197 PolarHBondContact O-N 2.66Š|
| 198 | S | 53.4 | Low | 74.2 | Confident | 117 Ų | 117 | 77.9 Ų | 77.9 | 82% | 0.818 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 74.2 | 110 | 169.7 | -59.2 | 0 | 0 | 0 | 0 | 118.4 | ||
| 199 | D | 51.4 | Low | 74.5 | Confident | 154 Ų | 154 | 76.7 Ų | 76.7 | 82% | 0.824 | 45% | 0.451 | S | S | * | . | trans | 69.4 | 93.6 | 169.7 | -148.6 | 30.6 | 0 | 0 | 0 | 116.2 | ||||
| 200 | G | 57.2 | Low | 74.8 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 54% | 0.536 | 45% | 0.452 | S | S | . | . | trans | -65.2 | 134.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I202 | G200-I202 PolarHBondContact O-N 3.43Š| ||
| 201 | S | 68.5 | Low | 75.3 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | trans | -67.9 | 85.4 | -174.6 | 175.8 | 0 | 0 | 0 | 0 | 113.2 | A191 A203 | A191-S201 WeakPolarHBondContact CA-O 3.39Å; A191-S201 WeakPolarHBondContact CB-O 3.31Å; S201-A203 PolarHBondContact O-N 2.99Å | ||
| 202 | I | 82.4 | Confident | 75.8 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | trans | -60.2 | 132.5 | 177.8 | -54.9 | 178 | 0 | 0 | 0 | 111.2 | G200 S204 P266 | G200-I202 PolarHBondContact O-N 3.43Å; I202-S204 PolarHBondContact O-N 3.26Å; I202-S204 PolarHBondContact O-OG 2.99Å; I202-P266 HydrophobicContact CG2-CB 3.84Å | ||
| 203 | A | 87 | Confident | 76.5 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | trans | -57.4 | 131.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | F188 N189 A191 S201 P266 G267 D268 | F188-A203 HydrophobicContact CE2-CB 4.15Å; F188-A203 HydrophobicContact CZ-CB 4.18Å; N189-A203 WeakPolarHBondContact O-CA 3.44Å; A191-A203 HydrophobicContact CB-CB 4.19Å; S201-A203 PolarHBondContact O-N 2.99Å; A203-P266 WeakPolarHBondContact O-CA 3.47Å; A203-G267 PolarHBondContact O-N 2.81Å; A203-D268 HydrophobicContact CB-CB 4.1Å | ||
| 204 | S | 90.2 | Very high | 77.8 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 137.1 | -171.9 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | N189 I202 K264 R265 | N189-S204 WeakPolarHBondContact CB-O 3.5Å; N189-S204 PolarHBondContact N-O 2.95Å; N189-S204 PolarHBondContact ND2-O 2.79Å; N189-S204 VanDerWaalsContact ND2-O 3.13Å; N189-S204 PolarHBondContact O-N 3.16Å; I202-S204 PolarHBondContact O-N 3.26Å; I202-S204 PolarHBondContact O-OG 2.99Å; S204-K264 WeakPolarHBondContact OG-CE 3.35Å; S204-K264 PolarHBondContact OG-NZ 2.66Å; S204-R265 VanDerWaalsContact CA-O 3.31Å; S204-R265 WeakPolarHBondContact CA-O 3.49Å; S204-R265 VanDerWaalsContact CB-O 3.24Å; S204-R265 WeakPolarHBondContact CB-O 3.3Å |
| 205 | W | 91.4 | Very high | 78.7 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 150.8 | 172.7 | 56.7 | -102.3 | 0 | 0 | 0 | 111.8 | T187 F188 L207 L235 Y240 V263 K264 R265 I368 | T187-W205 CarbonylContact O-C 3.56Å; T187-W205 WeakPolarHBondContact O-CA 3.47Å; F188-W205 HydrophobicContact CD2-CB 4.46Å; W205-L207 HydrophobicContact CE3-CB 4.17Å; W205-L207 HydrophobicContact CZ3-CB 3.87Å; W205-L235 HydrophobicContact CH2-CD1 3.84Å; W205-L235 HydrophobicContact CH2-CD2 3.78Å; W205-L235 HydrophobicContact CH2-CG 4.49Å; W205-L235 HydrophobicContact CZ2-CD1 3.95Å; W205-L235 HydrophobicContact CZ2-CD2 4.14Å; W205-Y240 HydrophobicContact CZ2-CE2 4.18Å; W205-Y240 AromaticContact NE1-CZ 3.95Å; W205-Y240 PolarHBondContact NE1-OH 3.19Å; W205-V263 HydrophobicContact CH2-CG1 4.35Å; W205-V263 HydrophobicContact CZ3-CG1 4.15Å; W205-K264 WeakPolarHBondContact O-CA 3.37Å; W205-K264 WeakPolarHBondContact O-CG 3.5Å; W205-R265 HydrophobicContact CD2-CB 4.42Å; W205-R265 HydrophobicContact CH2-CB 3.91Å; W205-R265 HydrophobicContact CH2-CG 3.74Å; W205-R265 HydrophobicContact CZ2-CB 3.59Å; W205-R265 HydrophobicContact CZ2-CG 3.83Å; W205-R265 HydrophobicContact CZ3-CB 4.43Å; W205-R265 HydrophobicContact CZ3-CG 4.41Å; W205-R265 PolarHBondContact N-O 3.47Å; W205-R265 VanDerWaalsContact N-O 3.11Å; W205-R265 PolarHBondContact O-N 2.77Å; W205-R265 VanDerWaalsContact O-N 3.14Å; W205-I368 HydrophobicContact CB-CG2 3.77Å; W205-I368 HydrophobicContact CD2-CD1 4.01Å; W205-I368 HydrophobicContact CD2-CG2 3.91Å; W205-I368 HydrophobicContact CE3-CD1 3.78Å; W205-I368 HydrophobicContact CE3-CG2 4.25Å; W205-I368 HydrophobicContact CG-CG2 3.73Å; W205-I368 HydrophobicContact CH2-CD1 3.75Å; W205-I368 HydrophobicContact CZ2-CD1 3.96Å; W205-I368 HydrophobicContact CZ3-CD1 3.67Å |
| 206 | E | 91.9 | Very high | 79.4 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.5 | 167.6 | 172.4 | 177.1 | 136.8 | 0 | 0 | 108.7 | N186 T187 R208 Q262 V263 | N186-E206 CarbonylContact C-O 3.57Å; N186-E206 VanDerWaalsContact CA-O 3.31Å; N186-E206 WeakPolarHBondContact CA-O 3.38Å; T187-E206 PolarHBondContact N-O 2.84Å; T187-E206 PolarHBondContact O-N 3.43Å; E206-R208 IonicContact OE1-CZ 2.7Å; E206-R208 IonicContact OE1-NE 3.02Å; E206-R208 PolarHBondContact OE1-NE 3.38Å; E206-R208 IonicContact OE1-NH2 3.84Å; E206-R208 PolarHBondContact OE1-NH2 3.16Å; E206-Q262 VanDerWaalsContact CD-CG 3.5Å; E206-Q262 HydrophobicContact CG-CG 3.76Å; E206-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E206-Q262 PolarHBondContact OE1-NE2 3.48Å; E206-Q262 PolarHBondContact OE2-NE2 3.5Å; E206-V263 CarbonylContact C-O 3.55Å; E206-V263 WeakPolarHBondContact CA-O 3.39Å |
| 207 | L | 93 | Very high | 79.6 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.8 | 166.4 | 179.9 | 65 | 0 | 0 | 0 | 109 | I184 W205 V209 I233 Q262 V263 I368 | I184-L207 HydrophobicContact CG2-CD1 3.77Å; W205-L207 HydrophobicContact CE3-CB 4.17Å; W205-L207 HydrophobicContact CZ3-CB 3.87Å; L207-V209 HydrophobicContact CG-CG2 4.26Å; L207-I233 HydrophobicContact CD2-CD1 4.25Å; L207-I233 HydrophobicContact CD2-CG2 4.13Å; L207-Q262 WeakPolarHBondContact O-CA 3.25Å; L207-V263 PolarHBondContact N-O 3.12Å; L207-V263 PolarHBondContact O-N 2.89Å; L207-I368 HydrophobicContact CB-CD1 4.24Å; L207-I368 HydrophobicContact CD1-CG1 4.37Å; L207-I368 HydrophobicContact CD2-CD1 4.22Å |
| 208 | R | 93.8 | Very high | 80.1 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 26% | 0.26 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.4 | -179.3 | 176.2 | 175.7 | -68.5 | -92 | -8.4 | 109.5 | I184 S185 E206 E210 | I184-R208 WeakPolarHBondContact CA-O 3.36Å; S185-R208 PolarHBondContact N-O 2.86Å; S185-R208 PolarHBondContact O-N 2.89Å; E206-R208 IonicContact OE1-CZ 2.7Å; E206-R208 IonicContact OE1-NE 3.02Å; E206-R208 PolarHBondContact OE1-NE 3.38Å; E206-R208 IonicContact OE1-NH2 3.84Å; E206-R208 PolarHBondContact OE1-NH2 3.16Å; R208-E210 VanDerWaalsContact CD-OE1 3.3Å; R208-E210 WeakPolarHBondContact CD-OE1 3.39Å; R208-E210 HydrophobicContact CG-CG 3.97Å; R208-E210 IonicContact CZ-OE1 3.98Å; R208-E210 IonicContact NE-OE1 3.06Å; R208-E210 IonicContact NH1-OE1 2.72Å; R208-E210 PolarHBondContact NH1-OE1 3.04Å |
| 209 | V | 94.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 95.3 | -178.9 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | I184 L207 F224 L231 I233 G260 F261 L275 | I184-V209 HydrophobicContact CG1-CG1 4.48Å; L207-V209 HydrophobicContact CG-CG2 4.26Å; V209-F224 HydrophobicContact CG1-CE1 4.29Å; V209-F224 HydrophobicContact CG1-CZ 4.24Å; V209-L231 HydrophobicContact CG1-CD1 4.38Å; V209-I233 HydrophobicContact CG2-CD1 4.47Å; V209-G260 CarbonylContact O-C 3.35Å; V209-G260 WeakPolarHBondContact O-CA 3.46Å; V209-F261 PolarHBondContact N-O 2.84Å; V209-F261 PolarHBondContact O-N 3.44Å; V209-L275 HydrophobicContact CB-CD2 4.49Å; V209-L275 HydrophobicContact CG1-CD2 4.06Å; V209-L275 HydrophobicContact CG2-CD2 3.55Å |
| 210 | E | 94.3 | Very high | 81.1 | Confident | 77 Ų | 77 | 63 Ų | 63 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 161.6 | 179.4 | -72 | 177.4 | -170.8 | 0 | 0 | 110.7 | L182 Y183 R208 D259 | L182-E210 CarbonylContact C-O 3.59Å; L182-E210 WeakPolarHBondContact CA-O 3.18Å; Y183-E210 PolarHBondContact N-O 3.41Å; Y183-E210 PolarHBondContact O-N 3.32Å; R208-E210 VanDerWaalsContact CD-OE1 3.3Å; R208-E210 WeakPolarHBondContact CD-OE1 3.39Å; R208-E210 HydrophobicContact CG-CG 3.97Å; R208-E210 IonicContact CZ-OE1 3.98Å; R208-E210 IonicContact NE-OE1 3.06Å; R208-E210 IonicContact NH1-OE1 2.72Å; R208-E210 PolarHBondContact NH1-OE1 3.04Å; E210-D259 WeakPolarHBondContact CA-O 3.35Å |
| 211 | G | 93.3 | Very high | 82.1 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 152.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R181 F224 D259 | R181-G211 CarbonylContact O-C 3.54Å; R181-G211 WeakPolarHBondContact O-CA 3.32Å; G211-F224 VanDerWaalsContact CA-CD2 3.44Å; G211-D259 PolarHBondContact N-O 3.1Å |
| 212 | K | 91.6 | Very high | 83 | Confident | 135 Ų | 135 | 71 Ų | 71 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 127.8 | -170.7 | -175.5 | 179.5 | 174.5 | -174.6 | 0 | 110.8 | R181 Y183 L214 | R181-K212 PolarHBondContact N-O 2.94Å; R181-K212 PolarHBondContact O-N 3.15Å; Y183-K212 HydrophobicContact CE2-CB 4.11Å; K212-L214 PolarHBondContact O-N 2.73Å |
| 213 | L | 91.6 | Very high | 83.4 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 127.9 | 174.8 | -164.9 | 67.4 | 0 | 0 | 0 | 109.6 | R178 L180 D216 F227 V385 V387 | R178-L213 HydrophobicContact CB-CD1 3.77Å; R178-L213 HydrophobicContact CB-CG 4.44Å; L180-L213 HydrophobicContact CB-CD1 4.5Å; L213-D216 HydrophobicContact CB-CB 4.46Å; L213-D216 HydrophobicContact CD2-CB 3.99Å; L213-D216 HydrophobicContact CG-CB 4.38Å; L213-F227 HydrophobicContact CD1-CE1 4.48Å; L213-F227 HydrophobicContact CD1-CZ 4.05Å; L213-F227 HydrophobicContact CD2-CZ 4.26Å; L213-V385 HydrophobicContact CD1-CG2 3.69Å; L213-V387 HydrophobicContact CD1-CG2 4.21Å; L213-V387 HydrophobicContact CD2-CG2 4.05Å |
| 214 | L | 89.1 | Confident | 83.7 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -82.6 | 146.3 | 171.6 | -54.5 | -173.6 | 0 | 0 | 0 | 109.6 | K179 R181 K212 D216 | K179-L214 HydrophobicContact CB-CB 4.28Å; K179-L214 HydrophobicContact CB-CD1 3.94Å; K179-L214 HydrophobicContact CB-CG 4.28Å; K179-L214 WeakPolarHBondContact O-CB 3.41Å; K179-L214 PolarHBondContact O-N 3.03Å; R181-L214 HydrophobicContact CB-CD1 4.23Å; R181-L214 HydrophobicContact CB-CD2 3.88Å; R181-L214 HydrophobicContact CB-CG 4.05Å; K212-L214 PolarHBondContact O-N 2.73Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 3.05Å |
| 215 | D | 77.3 | Confident | 83.9 | Confident | 140 Ų | 140 | 68 Ų | 68 | 75% | 0.749 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 49.4 | 46.8 | 177.2 | -51.8 | -31.4 | 0 | 0 | 0 | 114.1 | R178 P217 | R178-D215 PolarHBondContact NE-O 2.88Å; D215-P217 VanDerWaalsContact O-CD 3.26Å; D215-P217 WeakPolarHBondContact O-CD 3.27Å |
| 216 | D | 68.4 | Low | 84 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | trans | -79.2 | 111 | 171.8 | -170.3 | -2.7 | 0 | 0 | 0 | 110.5 | L213 L214 G218 | L213-D216 HydrophobicContact CB-CB 4.46Å; L213-D216 HydrophobicContact CD2-CB 3.99Å; L213-D216 HydrophobicContact CG-CB 4.38Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 3.05Å; D216-G218 VanDerWaalsContact C-N 3.26Å; D216-G218 WeakPolarHBondContact OD1-CA 3.36Å; D216-G218 PolarHBondContact OD1-N 3.16Å | ||
| 217 | P | 58.9 | Low | 84 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 62% | 0.623 | 34% | 0.335 | S | S | * | . | trans | -85.3 | 0.9 | 175.7 | 38.2 | -36 | 0 | 0 | 0 | 112.4 | D215 | D215-P217 VanDerWaalsContact O-CD 3.26Å; D215-P217 WeakPolarHBondContact O-CD 3.27Å | ||
| 218 | G | 62.4 | Low | 84.1 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | trans | -78.2 | 145.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D216 L220 | D216-G218 VanDerWaalsContact C-N 3.26Å; D216-G218 WeakPolarHBondContact OD1-CA 3.36Å; D216-G218 PolarHBondContact OD1-N 3.16Å; G218-L220 VanDerWaalsContact C-N 3.3Å | ||
| 219 | K | 61 | Low | 84.1 | Confident | 213 Ų | 213 | 70.2 Ų | 70.2 | 93% | 0.926 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -73.5 | -22 | 168.2 | -69.6 | -171.3 | 176.3 | -174.4 | 0 | 113.1 | ||
| 220 | L | 64.9 | Low | 84.1 | Confident | 155 Ų | 155 | 70.4 Ų | 70.4 | 81% | 0.812 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -104.7 | 105.4 | 173 | -93.5 | 67.7 | 0 | 0 | 0 | 108.7 | G218 R222 | G218-L220 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 3.21Å |
| 221 | K | 78.1 | Confident | 84.1 | Confident | 185 Ų | 185 | 67 Ų | 67 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 125.1 | 170.4 | -66 | 177.8 | -179.3 | 173.5 | 0 | 109.3 | ||
| 222 | R | 86.7 | Confident | 84.3 | Confident | 85 Ų | 85 | 67.6 Ų | 67.6 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 135.7 | 169.8 | -75.5 | -170.3 | 64 | -177.2 | 0.9 | 110.6 | L220 S226 F227 | L220-R222 PolarHBondContact O-N 3.21Å; R222-S226 PolarHBondContact NE-OG 3Å; R222-S226 PolarHBondContact NH2-O 3.09Å; R222-S226 PolarHBondContact NH2-OG 3.21Å; R222-F227 HydrophobicContact CB-CE2 3.88Å; R222-F227 HydrophobicContact CB-CZ 3.74Å; R222-F227 HydrophobicContact CG-CZ 4.44Å; R222-F227 VanDerWaalsContact CZ-CE1 3.41Å |
| 223 | K | 92.1 | Very high | 84.4 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 146.3 | 176.2 | -68.3 | -62.5 | -169.5 | 170.3 | 0 | 112 | S225 S226 F227 E257 D259 | K223-S225 PolarHBondContact O-N 3.26Å; K223-S226 VanDerWaalsContact O-CB 3.28Å; K223-S226 WeakPolarHBondContact O-CB 3.36Å; K223-S226 PolarHBondContact O-N 3.12Å; K223-S226 VanDerWaalsContact O-N 3.08Å; K223-S226 PolarHBondContact O-OG 3.09Å; K223-F227 WeakPolarHBondContact O-CD2 3.42Å; K223-E257 HydrophobicContact CB-CB 3.72Å; K223-E257 HydrophobicContact CG-CB 3.77Å; K223-D259 WeakPolarHBondContact CA-OD1 3.42Å; K223-D259 VanDerWaalsContact CD-CG 3.45Å; K223-D259 WeakPolarHBondContact CD-OD1 3.23Å; K223-D259 WeakPolarHBondContact CD-OD2 3.44Å; K223-D259 IonicContact NZ-OD2 3.79Å; K223-D259 PolarHBondContact NZ-OD2 3.3Å |
| 224 | F | 93.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -51.7 | -51.8 | 177.1 | 172.8 | -120.9 | 0 | 0 | 0 | 112.9 | L180 L182 V209 G211 S226 F227 F228 L231 T258 D259 F261 | L180-F224 HydrophobicContact CD1-CD2 4.42Å; L180-F224 HydrophobicContact CD2-CD2 4.11Å; L180-F224 HydrophobicContact CD2-CE2 4.18Å; L182-F224 HydrophobicContact CD1-CE2 4.22Å; L182-F224 HydrophobicContact CD2-CE2 3.81Å; L182-F224 HydrophobicContact CD2-CZ 3.82Å; L182-F224 HydrophobicContact CG-CE2 3.67Å; L182-F224 HydrophobicContact CG-CZ 4.12Å; V209-F224 HydrophobicContact CG1-CE1 4.29Å; V209-F224 HydrophobicContact CG1-CZ 4.24Å; G211-F224 VanDerWaalsContact CA-CD2 3.44Å; F224-S226 PolarHBondContact O-N 3.45Å; F224-S226 VanDerWaalsContact O-N 3.1Å; F224-F227 WeakPolarHBondContact O-CD2 3.41Å; F224-F227 PolarHBondContact O-N 3.47Å; F224-F228 AromaticContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CE2-CD2 4.16Å; F224-F228 AromaticContact CE2-CE2 3.26Å; F224-F228 HydrophobicContact CE2-CE2 3.26Å; F224-F228 AromaticContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CZ-CD2 4.3Å; F224-F228 AromaticContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CZ 4.27Å; F224-F228 WeakPolarHBondContact O-CD2 3.26Å; F224-L231 HydrophobicContact CE1-CD1 4.36Å; F224-T258 PolarHBondContact N-O 3.03Å; F224-T258 VanDerWaalsContact N-O 3.1Å; F224-D259 VanDerWaalsContact CB-C 3.45Å; F224-D259 VanDerWaalsContact CB-O 3.29Å; F224-D259 WeakPolarHBondContact CB-O 3.47Å; F224-F261 HydrophobicContact CD1-CD2 4.2Å; F224-F261 AromaticContact CD1-CE2 3.99Å; F224-F261 HydrophobicContact CD1-CE2 3.99Å; F224-F261 AromaticContact CE1-CD2 3.88Å; F224-F261 HydrophobicContact CE1-CD2 3.88Å; F224-F261 AromaticContact CE1-CE2 3.86Å; F224-F261 HydrophobicContact CE1-CE2 3.86Å |
| 225 | S | 93.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -57.3 | -29.4 | -179.6 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | K223 F227 F228 R251 E257 T258 | K223-S225 PolarHBondContact O-N 3.26Å; S225-F227 PolarHBondContact O-N 3.29Å; S225-F228 PolarHBondContact O-N 3.49Å; S225-R251 VanDerWaalsContact C-NH2 3.27Å; S225-R251 PolarHBondContact O-NH2 3.13Å; S225-E257 WeakPolarHBondContact CB-OE2 3.18Å; S225-E257 VanDerWaalsContact OG-CA 3.23Å; S225-E257 WeakPolarHBondContact OG-CA 3.27Å; S225-E257 PolarHBondContact OG-OE2 3.43Å; S225-T258 PolarHBondContact N-O 3.15Å; S225-T258 PolarHBondContact OG-N 2.83Å; S225-T258 PolarHBondContact OG-O 2.91Å |
| 226 | S | 92.3 | Very high | 85.4 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -64.2 | -6.1 | -176.3 | 83.3 | 0 | 0 | 0 | 0 | 114.8 | R222 K223 F224 R251 E257 | R222-S226 PolarHBondContact NE-OG 3Å; R222-S226 PolarHBondContact NH2-O 3.09Å; R222-S226 PolarHBondContact NH2-OG 3.21Å; K223-S226 VanDerWaalsContact O-CB 3.28Å; K223-S226 WeakPolarHBondContact O-CB 3.36Å; K223-S226 PolarHBondContact O-N 3.12Å; K223-S226 VanDerWaalsContact O-N 3.08Å; K223-S226 PolarHBondContact O-OG 3.09Å; F224-S226 PolarHBondContact O-N 3.45Å; F224-S226 VanDerWaalsContact O-N 3.1Å; S226-R251 VanDerWaalsContact CA-NH2 3.35Å; S226-E257 WeakPolarHBondContact CA-OE2 3.3Å; S226-E257 WeakPolarHBondContact CB-OE1 3.35Å; S226-E257 PolarHBondContact N-OE2 3.38Å; S226-E257 VanDerWaalsContact N-OE2 3.16Å |
| 227 | F | 93.5 | Very high | 86.4 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -100 | -9.2 | 175.2 | -62.1 | -79.2 | 0 | 0 | 0 | 113.7 | L180 L213 R222 K223 F224 S225 L279 D280 V385 V387 | L180-F227 HydrophobicContact CD1-CD2 4.11Å; L180-F227 HydrophobicContact CD1-CE2 4.15Å; L180-F227 HydrophobicContact CD2-CB 4.02Å; L180-F227 HydrophobicContact CD2-CD2 3.92Å; L180-F227 HydrophobicContact CD2-CG 4.04Å; L213-F227 HydrophobicContact CD1-CE1 4.48Å; L213-F227 HydrophobicContact CD1-CZ 4.05Å; L213-F227 HydrophobicContact CD2-CZ 4.26Å; R222-F227 HydrophobicContact CB-CE2 3.88Å; R222-F227 HydrophobicContact CB-CZ 3.74Å; R222-F227 HydrophobicContact CG-CZ 4.44Å; R222-F227 VanDerWaalsContact CZ-CE1 3.41Å; K223-F227 WeakPolarHBondContact O-CD2 3.42Å; F224-F227 WeakPolarHBondContact O-CD2 3.41Å; F224-F227 PolarHBondContact O-N 3.47Å; S225-F227 PolarHBondContact O-N 3.29Å; F227-L279 WeakPolarHBondContact O-CA 3.38Å; F227-L279 WeakPolarHBondContact O-CD2 3.4Å; F227-D280 PolarHBondContact O-N 2.93Å; F227-V385 HydrophobicContact CB-CG1 4.33Å; F227-V385 HydrophobicContact CD1-CB 3.79Å; F227-V385 HydrophobicContact CD1-CG1 4.13Å; F227-V385 HydrophobicContact CD1-CG2 3.82Å; F227-V385 HydrophobicContact CE1-CB 4.19Å; F227-V385 HydrophobicContact CE1-CG2 3.74Å; F227-V385 HydrophobicContact CG-CB 4.49Å; F227-V385 HydrophobicContact CG-CG1 4.36Å; F227-V385 HydrophobicContact CZ-CG2 4.43Å; F227-V387 HydrophobicContact CE1-CG2 4.21Å |
| 228 | F | 94.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.3 | -173.3 | -56.2 | -84.6 | 0 | 0 | 0 | 112.3 | L180 F224 S225 W249 R251 L277 M278 L279 | L180-F228 HydrophobicContact CD2-CE2 3.66Å; L180-F228 HydrophobicContact CD2-CZ 3.7Å; F224-F228 AromaticContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CD2-CE2 3.75Å; F224-F228 HydrophobicContact CE2-CD2 4.16Å; F224-F228 AromaticContact CE2-CE2 3.26Å; F224-F228 HydrophobicContact CE2-CE2 3.26Å; F224-F228 AromaticContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CE2-CZ 3.83Å; F224-F228 HydrophobicContact CZ-CD2 4.3Å; F224-F228 AromaticContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CE2 3.72Å; F224-F228 HydrophobicContact CZ-CZ 4.27Å; F224-F228 WeakPolarHBondContact O-CD2 3.26Å; S225-F228 PolarHBondContact O-N 3.49Å; F228-W249 HydrophobicContact CB-CZ3 4.19Å; F228-R251 PolarHBondContact O-NE 3.08Å; F228-R251 PolarHBondContact O-NH2 3.44Å; F228-L277 HydrophobicContact CD1-CB 4.06Å; F228-L277 HydrophobicContact CD1-CD2 4.16Å; F228-L277 HydrophobicContact CE1-CB 3.82Å; F228-L277 HydrophobicContact CE1-CD2 4Å; F228-L277 HydrophobicContact CE1-CG 4.38Å; F228-L277 HydrophobicContact CZ-CD2 4.39Å; F228-M278 CarbonylContact C-O 3.57Å; F228-M278 VanDerWaalsContact CA-O 3.26Å; F228-M278 WeakPolarHBondContact CA-O 3.5Å; F228-M278 WeakPolarHBondContact CB-O 3.36Å; F228-L279 HydrophobicContact CD1-CD2 3.87Å; F228-L279 HydrophobicContact CD1-CG 4.45Å; F228-L279 HydrophobicContact CE1-CD2 3.52Å; F228-L279 HydrophobicContact CE1-CG 4.27Å; F228-L279 HydrophobicContact CZ-CD2 4.09Å |
| 229 | K | 93.9 | Very high | 88.9 | Confident | 122 Ų | 122 | 65.9 Ų | 65.9 | 53% | 0.53 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -35.3 | 170.5 | -179.4 | -176.8 | 174 | -170.3 | 0 | 110.8 | R251 M278 D280 | K229-R251 VanDerWaalsContact O-CB 3.23Å; K229-R251 WeakPolarHBondContact O-CB 3.1Å; K229-R251 PolarHBondContact O-N 3.44Å; K229-M278 PolarHBondContact N-O 2.74Å; K229-D280 HydrophobicContact CB-CB 4.13Å |
| 230 | S | 94.6 | Very high | 90.1 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 158.6 | 171.5 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | W249 H250 M278 | S230-W249 CarbonylContact C-O 3.57Å; S230-W249 WeakPolarHBondContact CA-O 3.44Å; S230-W249 WeakPolarHBondContact CB-O 3.42Å; S230-H250 VanDerWaalsContact CB-ND1 3.31Å; S230-H250 WeakPolarHBondContact CB-ND1 3.48Å; S230-M278 PolarHBondContact N-O 2.94Å; S230-M278 PolarHBondContact O-N 2.73Å; S230-M278 WeakPolarHBondContact OG-CB 3.36Å |
| 231 | L | 95.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 126.4 | 175.3 | 178.7 | 159.5 | 0 | 0 | 0 | 106.5 | V209 F224 I233 W249 F261 L277 | V209-L231 HydrophobicContact CG1-CD1 4.38Å; F224-L231 HydrophobicContact CE1-CD1 4.36Å; L231-I233 HydrophobicContact CD2-CD1 3.93Å; L231-I233 HydrophobicContact CD2-CG1 3.76Å; L231-W249 HydrophobicContact CB-CE3 4.12Å; L231-W249 PolarHBondContact N-O 2.93Å; L231-W249 PolarHBondContact O-N 3.22Å; L231-F261 HydrophobicContact CD1-CD2 3.66Å; L231-F261 HydrophobicContact CD1-CE2 3.85Å; L231-L277 HydrophobicContact CB-CD2 4.3Å; L231-L277 HydrophobicContact CD1-CD2 3.55Å; L231-L277 HydrophobicContact CG-CD2 3.76Å |
| 232 | V | 95.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.1 | 174 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | L246 V247 E248 L275 L276 | V232-L246 HydrophobicContact CG1-CD2 3.94Å; V232-V247 WeakPolarHBondContact CA-O 3.46Å; V232-E248 HydrophobicContact CG1-CG 4.1Å; V232-E248 HydrophobicContact CG2-CB 4.27Å; V232-E248 HydrophobicContact CG2-CG 3.96Å; V232-L275 WeakPolarHBondContact O-CA 3.33Å; V232-L276 HydrophobicContact CB-CB 4.33Å; V232-L276 HydrophobicContact CB-CD1 4.35Å; V232-L276 HydrophobicContact CG1-CD1 4.29Å; V232-L276 PolarHBondContact N-O 3.44Å; V232-L276 PolarHBondContact O-N 3.41Å |
| 233 | I | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 113.7 | 169.4 | -60 | 162.2 | 0 | 0 | 0 | 106.7 | L207 V209 L231 L235 V247 V263 C273 L275 | L207-I233 HydrophobicContact CD2-CD1 4.25Å; L207-I233 HydrophobicContact CD2-CG2 4.13Å; V209-I233 HydrophobicContact CG2-CD1 4.47Å; L231-I233 HydrophobicContact CD2-CD1 3.93Å; L231-I233 HydrophobicContact CD2-CG1 3.76Å; I233-L235 HydrophobicContact CG2-CD2 3.89Å; I233-V247 HydrophobicContact CB-CB 4.4Å; I233-V247 PolarHBondContact N-O 3.37Å; I233-V247 PolarHBondContact O-N 3.01Å; I233-V263 HydrophobicContact CD1-CG2 3.88Å; I233-C273 HydrophobicContact CG2-CB 4.28Å; I233-L275 HydrophobicContact CG1-CD2 4.49Å; I233-L275 HydrophobicContact CG1-CG 4.29Å |
| 234 | E | 95 | Very high | 90.9 | Very high | 78 Ų | 78 | 48.7 Ų | 48.7 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.3 | 170.8 | 179.4 | -176.4 | -156.7 | 0 | 0 | 108.3 | L246 C273 T274 L276 | E234-L246 HydrophobicContact CB-CD2 3.97Å; E234-L246 HydrophobicContact CG-CD2 4.19Å; E234-C273 CarbonylContact O-C 3.52Å; E234-C273 WeakPolarHBondContact O-CA 3.29Å; E234-C273 VanDerWaalsContact O-CB 3.32Å; E234-C273 WeakPolarHBondContact O-CB 3.44Å; E234-T274 PolarHBondContact N-O 3.42Å; E234-T274 PolarHBondContact O-N 2.76Å; E234-L276 HydrophobicContact CB-CD1 4.31Å |
| 235 | L | 93.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 168.1 | 175.6 | -53.7 | 174.5 | 0 | 0 | 0 | 109.4 | W205 I233 K237 Y240 H245 R265 V271 C273 I368 | W205-L235 HydrophobicContact CH2-CD1 3.84Å; W205-L235 HydrophobicContact CH2-CD2 3.78Å; W205-L235 HydrophobicContact CH2-CG 4.49Å; W205-L235 HydrophobicContact CZ2-CD1 3.95Å; W205-L235 HydrophobicContact CZ2-CD2 4.14Å; I233-L235 HydrophobicContact CG2-CD2 3.89Å; L235-K237 PolarHBondContact O-N 3.14Å; L235-K237 VanDerWaalsContact O-N 3.08Å; L235-Y240 HydrophobicContact CB-CD2 3.99Å; L235-Y240 HydrophobicContact CD1-CD2 4.04Å; L235-Y240 HydrophobicContact CD1-CE2 4.3Å; L235-Y240 HydrophobicContact CD1-CG 4.37Å; L235-H245 HydrophobicContact CB-CB 4.44Å; L235-H245 WeakPolarHBondContact CB-O 3.46Å; L235-H245 WeakPolarHBondContact CG-O 3.23Å; L235-H245 PolarHBondContact N-O 2.85Å; L235-R265 HydrophobicContact CD1-CG 4.48Å; L235-V271 HydrophobicContact CB-CG1 4.41Å; L235-C273 HydrophobicContact CD2-CB 3.78Å; L235-I368 HydrophobicContact CD2-CD1 4.33Å |
| 236 | D | 90.3 | Very high | 90.7 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | trans | -61.4 | 115.2 | 177.1 | -146.9 | -50.2 | 0 | 0 | 0 | 111.5 | D238 L239 Y240 V271 R272 | D236-D238 VanDerWaalsContact C-N 3.31Å; D236-D238 PolarHBondContact O-N 2.9Å; D236-L239 HydrophobicContact CB-CB 4.48Å; D236-L239 PolarHBondContact O-N 2.72Å; D236-Y240 PolarHBondContact O-N 3.24Å; D236-V271 HydrophobicContact CB-CG1 4.24Å; D236-R272 PolarHBondContact N-O 2.81Å; D236-R272 IonicContact OD1-NH2 3.6Å; D236-R272 IonicContact OD2-CZ 3.64Å; D236-R272 IonicContact OD2-NE 2.63Å; D236-R272 PolarHBondContact OD2-NE 3.45Å; D236-R272 IonicContact OD2-NH2 2.72Å; D236-R272 PolarHBondContact OD2-NH2 3.07Å | ||
| 237 | K | 89.1 | Confident | 90.7 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.4 | -31.5 | -169.5 | -175.9 | 178.3 | 175.8 | -178.8 | 0 | 112.7 | L235 L239 G241 H245 | L235-K237 PolarHBondContact O-N 3.14Å; L235-K237 VanDerWaalsContact O-N 3.08Å; K237-L239 PolarHBondContact O-N 2.96Å; K237-G241 VanDerWaalsContact O-CA 3.25Å; K237-G241 WeakPolarHBondContact O-CA 3.36Å; K237-G241 PolarHBondContact O-N 3.12Å; K237-H245 HydrophobicContact CB-CB 4.42Å |
| 238 | D | 87.7 | Confident | 90.8 | Very high | 158 Ų | 158 | 59 Ų | 59 | 85% | 0.845 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -73.7 | -19.5 | -179.5 | -63 | -23.1 | 0 | 0 | 0 | 111.7 | D236 | D236-D238 VanDerWaalsContact C-N 3.31Å; D236-D238 PolarHBondContact O-N 2.9Å |
| 239 | L | 86.8 | Confident | 90.8 | Very high | 89 Ų | 89 | 61.1 Ų | 61.1 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -93.5 | -36 | 178.6 | -169.2 | 65.7 | 0 | 0 | 0 | 113.3 | D236 K237 V271 | D236-L239 HydrophobicContact CB-CB 4.48Å; D236-L239 PolarHBondContact O-N 2.72Å; K237-L239 PolarHBondContact O-N 2.96Å; L239-V271 HydrophobicContact CD2-CG1 4.43Å; L239-V271 HydrophobicContact CD2-CG2 3.8Å |
| 240 | Y | 86 | Confident | 90.8 | Very high | 35 Ų | 35 | 60 Ų | 60 | 14% | 0.137 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -107.2 | -6.7 | -177.8 | -72.5 | -74.4 | 0 | 0 | 0 | 115 | W205 L235 D236 N244 R265 P266 V271 | W205-Y240 HydrophobicContact CZ2-CE2 4.18Å; W205-Y240 AromaticContact NE1-CZ 3.95Å; W205-Y240 PolarHBondContact NE1-OH 3.19Å; L235-Y240 HydrophobicContact CB-CD2 3.99Å; L235-Y240 HydrophobicContact CD1-CD2 4.04Å; L235-Y240 HydrophobicContact CD1-CE2 4.3Å; L235-Y240 HydrophobicContact CD1-CG 4.37Å; D236-Y240 PolarHBondContact O-N 3.24Å; Y240-N244 WeakPolarHBondContact O-CB 3.43Å; Y240-R265 HydrophobicContact CE1-CB 4.17Å; Y240-P266 PolarHBondContact OH-O 2.67Å; Y240-V271 HydrophobicContact CD2-CG1 4.49Å; Y240-V271 HydrophobicContact CE2-CG1 3.93Å; Y240-V271 HydrophobicContact CE2-CG2 4.06Å |
| 241 | G | 85.6 | Confident | 90.7 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 26% | 0.258 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | 71.6 | 173 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | K237 D243 H245 | K237-G241 VanDerWaalsContact O-CA 3.25Å; K237-G241 WeakPolarHBondContact O-CA 3.36Å; K237-G241 PolarHBondContact O-N 3.12Å; G241-D243 VanDerWaalsContact C-N 3.27Å; G241-D243 PolarHBondContact O-N 3.05Å; G241-H245 WeakPolarHBondContact O-CB 3.32Å; G241-H245 PolarHBondContact O-N 2.65Å; G241-H245 PolarHBondContact O-ND1 2.82Å |
| 242 | P | 83.6 | Confident | 90.5 | Very high | 82 Ų | 82 | 65.7 Ų | 65.7 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -31 | -171.1 | 24.8 | -34.2 | 0 | 0 | 0 | 113.7 | H245 | P242-H245 PolarHBondContact O-CE1 3.36Å; P242-H245 PolarHBondContact O-ND1 3.19Å |
| 243 | D | 83.8 | Confident | 90.1 | Very high | 142 Ų | 142 | 71.6 Ų | 71.6 | 76% | 0.759 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -96.5 | -18.9 | -170.1 | -49.2 | -56.5 | 0 | 0 | 0 | 114.3 | G241 | G241-D243 VanDerWaalsContact C-N 3.27Å; G241-D243 PolarHBondContact O-N 3.05Å |
| 244 | N | 86.1 | Confident | 89.9 | Confident | 77 Ų | 77 | 77.7 Ų | 77.7 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -111.5 | -11.8 | -177.4 | -70.4 | -79.4 | 0 | 0 | 0 | 114.8 | Y240 L246 R265 | Y240-N244 WeakPolarHBondContact O-CB 3.43Å; N244-L246 PolarHBondContact O-N 3.06Å; N244-R265 PolarHBondContact O-NH2 3.3Å; N244-R265 PolarHBondContact OD1-NH1 2.93Å |
| 245 | H | 88.8 | Confident | 89.7 | Confident | 17 Ų | 17 | 75.8 Ų | 75.8 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -69.3 | -16.8 | -180 | 78.3 | -59 | 0 | 0 | 0 | 114.4 | L235 K237 G241 P242 | L235-H245 HydrophobicContact CB-CB 4.44Å; L235-H245 WeakPolarHBondContact CB-O 3.46Å; L235-H245 WeakPolarHBondContact CG-O 3.23Å; L235-H245 PolarHBondContact N-O 2.85Å; K237-H245 HydrophobicContact CB-CB 4.42Å; G241-H245 WeakPolarHBondContact O-CB 3.32Å; G241-H245 PolarHBondContact O-N 2.65Å; G241-H245 PolarHBondContact O-ND1 2.82Å; P242-H245 PolarHBondContact O-CE1 3.36Å; P242-H245 PolarHBondContact O-ND1 3.19Å |
| 246 | L | 93.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 83.7 Ų | 83.7 | 36% | 0.356 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.5 | 176.8 | -69 | 166.9 | 0 | 0 | 0 | 111.3 | V232 E234 N244 | V232-L246 HydrophobicContact CG1-CD2 3.94Å; E234-L246 HydrophobicContact CB-CD2 3.97Å; E234-L246 HydrophobicContact CG-CD2 4.19Å; N244-L246 PolarHBondContact O-N 3.06Å |
| 247 | V | 93.9 | Very high | 89.6 | Confident | 40 Ų | 40 | 84.8 Ų | 84.8 | 24% | 0.242 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 109.4 | 167 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | V232 I233 V263 | V232-V247 WeakPolarHBondContact CA-O 3.46Å; I233-V247 HydrophobicContact CB-CB 4.4Å; I233-V247 PolarHBondContact N-O 3.37Å; I233-V247 PolarHBondContact O-N 3.01Å; V247-V263 HydrophobicContact CG1-CG2 4.03Å; V247-V263 HydrophobicContact CG2-CG1 4.13Å |
| 248 | E | 94.2 | Very high | 89.8 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.542 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.4 | -174.8 | -53.4 | -164.2 | 116.8 | 0 | 0 | 112 | V232 H250 | V232-E248 HydrophobicContact CG1-CG 4.1Å; V232-E248 HydrophobicContact CG2-CB 4.27Å; V232-E248 HydrophobicContact CG2-CG 3.96Å; E248-H250 IonicContact OE2-NE2 2.82Å |
| 249 | W | 94.9 | Very high | 90 | Very high | 46 Ų | 46 | 77.9 Ų | 77.9 | 17% | 0.174 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.1 | 167.6 | 174.2 | 85.3 | 0 | 0 | 0 | 109.8 | F228 S230 L231 R251 T255 F261 | F228-W249 HydrophobicContact CB-CZ3 4.19Å; S230-W249 CarbonylContact C-O 3.57Å; S230-W249 WeakPolarHBondContact CA-O 3.44Å; S230-W249 WeakPolarHBondContact CB-O 3.42Å; L231-W249 HydrophobicContact CB-CE3 4.12Å; L231-W249 PolarHBondContact N-O 2.93Å; L231-W249 PolarHBondContact O-N 3.22Å; W249-R251 HydrophobicContact CH2-CB 4.17Å; W249-T255 HydrophobicContact CZ2-CG2 3.69Å; W249-F261 HydrophobicContact CB-CE1 4.37Å; W249-F261 AromaticContact CD1-CE1 3.64Å; W249-F261 AromaticContact CD2-CE1 3.73Å; W249-F261 HydrophobicContact CD2-CE1 3.73Å; W249-F261 AromaticContact CD2-CZ 3.56Å; W249-F261 HydrophobicContact CD2-CZ 3.56Å; W249-F261 AromaticContact CE2-CE1 3.76Å; W249-F261 AromaticContact CE2-CZ 3.66Å; W249-F261 HydrophobicContact CE3-CE1 4.43Å; W249-F261 AromaticContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CG-CD1 4.48Å; W249-F261 AromaticContact CG-CE1 3.66Å; W249-F261 HydrophobicContact CG-CE1 3.66Å; W249-F261 AromaticContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CH2-CZ 4.28Å; W249-F261 HydrophobicContact CZ2-CE1 4.47Å; W249-F261 HydrophobicContact CZ2-CZ 4.02Å; W249-F261 HydrophobicContact CZ3-CZ 4.19Å; W249-F261 AromaticContact NE1-CE1 3.68Å |
| 250 | H | 94.4 | Very high | 90.3 | Very high | 100 Ų | 100 | 74.6 Ų | 74.6 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.4 | 176.8 | -59.4 | -78.2 | 0 | 0 | 0 | 111.1 | S230 E248 T252 | S230-H250 VanDerWaalsContact CB-ND1 3.31Å; S230-H250 WeakPolarHBondContact CB-ND1 3.48Å; E248-H250 IonicContact OE2-NE2 2.82Å; H250-T252 PolarHBondContact O-N 3.47Å |
| 251 | R | 92.6 | Very high | 90.7 | Very high | 64 Ų | 64 | 74.7 Ų | 74.7 | 24% | 0.242 | 41% | 0.409 | C | S | . | . | trans | -64.6 | 116.5 | 171.7 | 170.8 | 177.4 | -68.7 | -71.8 | -26.9 | 110.8 | S225 S226 F228 K229 W249 E257 | S225-R251 VanDerWaalsContact C-NH2 3.27Å; S225-R251 PolarHBondContact O-NH2 3.13Å; S226-R251 VanDerWaalsContact CA-NH2 3.35Å; F228-R251 PolarHBondContact O-NE 3.08Å; F228-R251 PolarHBondContact O-NH2 3.44Å; K229-R251 VanDerWaalsContact O-CB 3.23Å; K229-R251 WeakPolarHBondContact O-CB 3.1Å; K229-R251 PolarHBondContact O-N 3.44Å; W249-R251 HydrophobicContact CH2-CB 4.17Å; R251-E257 IonicContact CZ-OE1 3.89Å; R251-E257 IonicContact CZ-OE2 3.24Å; R251-E257 IonicContact NH1-OE1 2.79Å; R251-E257 PolarHBondContact NH1-OE1 3.48Å; R251-E257 IonicContact NH1-OE2 3.32Å; R251-E257 VanDerWaalsContact NH2-CD 3.32Å; R251-E257 IonicContact NH2-OE1 3.74Å; R251-E257 PolarHBondContact NH2-OE1 3.03Å; R251-E257 VanDerWaalsContact NH2-OE1 3.08Å; R251-E257 IonicContact NH2-OE2 2.76Å; R251-E257 PolarHBondContact NH2-OE2 3.25Å | ||
| 252 | T | 91.2 | Very high | 91.1 | Very high | 65 Ų | 65 | 78.9 Ų | 78.9 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | trans | -104.8 | 162.9 | 163.9 | 75.5 | 0 | 0 | 0 | 0 | 110.5 | H250 T254 T255 | H250-T252 PolarHBondContact O-N 3.47Å; T252-T254 PolarHBondContact O-N 3.04Å; T252-T254 PolarHBondContact OG1-N 3.19Å; T252-T254 PolarHBondContact OG1-OG1 2.88Å; T252-T255 PolarHBondContact N-OG1 3.12Å; T252-T255 WeakPolarHBondContact O-CB 3.28Å; T252-T255 PolarHBondContact O-N 3.36Å; T252-T255 VanDerWaalsContact O-N 3.12Å; T252-T255 PolarHBondContact O-OG1 3.5Å; T252-T255 PolarHBondContact OG1-N 3.19Å; T252-T255 PolarHBondContact OG1-OG1 2.91Å | ||
| 253 | P | 87.3 | Confident | 91.5 | Very high | 144 Ų | 144 | 75.8 Ų | 75.8 | 94% | 0.935 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.3 | 175.8 | -24.8 | 35.7 | 0 | 0 | 0 | 115.3 | ||
| 254 | T | 90.2 | Very high | 91.9 | Very high | 130 Ų | 130 | 75 Ų | 75 | 80% | 0.798 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 4.5 | 179.6 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | T252 Q256 | T252-T254 PolarHBondContact O-N 3.04Å; T252-T254 PolarHBondContact OG1-N 3.19Å; T252-T254 PolarHBondContact OG1-OG1 2.88Å; T254-Q256 PolarHBondContact O-N 3.23Å |
| 255 | T | 90.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 74.5 Ų | 74.5 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 128.4 | -177.6 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | W249 T252 | W249-T255 HydrophobicContact CZ2-CG2 3.69Å; T252-T255 PolarHBondContact N-OG1 3.12Å; T252-T255 WeakPolarHBondContact O-CB 3.28Å; T252-T255 PolarHBondContact O-N 3.36Å; T252-T255 VanDerWaalsContact O-N 3.12Å; T252-T255 PolarHBondContact O-OG1 3.5Å; T252-T255 PolarHBondContact OG1-N 3.19Å; T252-T255 PolarHBondContact OG1-OG1 2.91Å |
| 256 | Q | 91.1 | Very high | 92.2 | Very high | 173 Ų | 173 | 77.2 Ų | 77.2 | 81% | 0.808 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 133.2 | 172.4 | -172.5 | 176.3 | 10.1 | 0 | 0 | 110.6 | T254 | T254-Q256 PolarHBondContact O-N 3.23Š|
| 257 | E | 92 | Very high | 91.9 | Very high | 59 Ų | 59 | 74.8 Ų | 74.8 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 131.2 | -175.2 | -58.5 | -82 | -152.5 | 0 | 0 | 112.4 | K223 S225 S226 R251 | K223-E257 HydrophobicContact CB-CB 3.72Å; K223-E257 HydrophobicContact CG-CB 3.77Å; S225-E257 WeakPolarHBondContact CB-OE2 3.18Å; S225-E257 VanDerWaalsContact OG-CA 3.23Å; S225-E257 WeakPolarHBondContact OG-CA 3.27Å; S225-E257 PolarHBondContact OG-OE2 3.43Å; S226-E257 WeakPolarHBondContact CA-OE2 3.3Å; S226-E257 WeakPolarHBondContact CB-OE1 3.35Å; S226-E257 PolarHBondContact N-OE2 3.38Å; S226-E257 VanDerWaalsContact N-OE2 3.16Å; R251-E257 IonicContact CZ-OE1 3.89Å; R251-E257 IonicContact CZ-OE2 3.24Å; R251-E257 IonicContact NH1-OE1 2.79Å; R251-E257 PolarHBondContact NH1-OE1 3.48Å; R251-E257 IonicContact NH1-OE2 3.32Å; R251-E257 VanDerWaalsContact NH2-CD 3.32Å; R251-E257 IonicContact NH2-OE1 3.74Å; R251-E257 PolarHBondContact NH2-OE1 3.03Å; R251-E257 VanDerWaalsContact NH2-OE1 3.08Å; R251-E257 IonicContact NH2-OE2 2.76Å; R251-E257 PolarHBondContact NH2-OE2 3.25Å |
| 258 | T | 93.1 | Very high | 91.5 | Very high | 51 Ų | 51 | 78.3 Ų | 78.3 | 31% | 0.313 | 41% | 0.412 | S | S | . | . | trans | -119.5 | 160.4 | -176 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | F224 S225 G260 | F224-T258 PolarHBondContact N-O 3.03Å; F224-T258 VanDerWaalsContact N-O 3.1Å; S225-T258 PolarHBondContact N-O 3.15Å; S225-T258 PolarHBondContact OG-N 2.83Å; S225-T258 PolarHBondContact OG-O 2.91Å; T258-G260 VanDerWaalsContact C-N 3.35Å; T258-G260 WeakPolarHBondContact CB-O 3.37Å; T258-G260 PolarHBondContact OG1-O 3.38Å | ||
| 259 | D | 91.6 | Very high | 91.3 | Very high | 76 Ų | 76 | 76.7 Ų | 76.7 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -89.7 | -0.7 | 173.6 | -70.4 | -47.8 | 0 | 0 | 0 | 113.4 | E210 G211 K223 F224 | E210-D259 WeakPolarHBondContact CA-O 3.35Å; G211-D259 PolarHBondContact N-O 3.1Å; K223-D259 WeakPolarHBondContact CA-OD1 3.42Å; K223-D259 VanDerWaalsContact CD-CG 3.45Å; K223-D259 WeakPolarHBondContact CD-OD1 3.23Å; K223-D259 WeakPolarHBondContact CD-OD2 3.44Å; K223-D259 IonicContact NZ-OD2 3.79Å; K223-D259 PolarHBondContact NZ-OD2 3.3Å; F224-D259 VanDerWaalsContact CB-C 3.45Å; F224-D259 VanDerWaalsContact CB-O 3.29Å; F224-D259 WeakPolarHBondContact CB-O 3.47Å |
| 260 | G | 93.1 | Very high | 91 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 20% | 0.196 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V209 T258 | V209-G260 CarbonylContact O-C 3.35Å; V209-G260 WeakPolarHBondContact O-CA 3.46Å; T258-G260 VanDerWaalsContact C-N 3.35Å; T258-G260 WeakPolarHBondContact CB-O 3.37Å; T258-G260 PolarHBondContact OG1-O 3.38Å |
| 261 | F | 94.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148 | 174.9 | -57.5 | -86 | 0 | 0 | 0 | 109.8 | V209 F224 L231 W249 | V209-F261 PolarHBondContact N-O 2.84Å; V209-F261 PolarHBondContact O-N 3.44Å; F224-F261 HydrophobicContact CD1-CD2 4.2Å; F224-F261 AromaticContact CD1-CE2 3.99Å; F224-F261 HydrophobicContact CD1-CE2 3.99Å; F224-F261 AromaticContact CE1-CD2 3.88Å; F224-F261 HydrophobicContact CE1-CD2 3.88Å; F224-F261 AromaticContact CE1-CE2 3.86Å; F224-F261 HydrophobicContact CE1-CE2 3.86Å; L231-F261 HydrophobicContact CD1-CD2 3.66Å; L231-F261 HydrophobicContact CD1-CE2 3.85Å; W249-F261 HydrophobicContact CB-CE1 4.37Å; W249-F261 AromaticContact CD1-CE1 3.64Å; W249-F261 AromaticContact CD2-CE1 3.73Å; W249-F261 HydrophobicContact CD2-CE1 3.73Å; W249-F261 AromaticContact CD2-CZ 3.56Å; W249-F261 HydrophobicContact CD2-CZ 3.56Å; W249-F261 AromaticContact CE2-CE1 3.76Å; W249-F261 AromaticContact CE2-CZ 3.66Å; W249-F261 HydrophobicContact CE3-CE1 4.43Å; W249-F261 AromaticContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CE3-CZ 3.84Å; W249-F261 HydrophobicContact CG-CD1 4.48Å; W249-F261 AromaticContact CG-CE1 3.66Å; W249-F261 HydrophobicContact CG-CE1 3.66Å; W249-F261 AromaticContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CG-CZ 3.99Å; W249-F261 HydrophobicContact CH2-CZ 4.28Å; W249-F261 HydrophobicContact CZ2-CE1 4.47Å; W249-F261 HydrophobicContact CZ2-CZ 4.02Å; W249-F261 HydrophobicContact CZ3-CZ 4.19Å; W249-F261 AromaticContact NE1-CE1 3.68Å |
| 262 | Q | 93.3 | Very high | 90.8 | Very high | 113 Ų | 113 | 76.9 Ų | 76.9 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.5 | -176.8 | -175.7 | 179.9 | -21.2 | 0 | 0 | 107.8 | E206 L207 | E206-Q262 VanDerWaalsContact CD-CG 3.5Å; E206-Q262 HydrophobicContact CG-CG 3.76Å; E206-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E206-Q262 PolarHBondContact OE1-NE2 3.48Å; E206-Q262 PolarHBondContact OE2-NE2 3.5Å; L207-Q262 WeakPolarHBondContact O-CA 3.25Å |
| 263 | V | 93.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 74 Ų | 74 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122 | -178.6 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | W205 E206 L207 I233 V247 R265 | W205-V263 HydrophobicContact CH2-CG1 4.35Å; W205-V263 HydrophobicContact CZ3-CG1 4.15Å; E206-V263 CarbonylContact C-O 3.55Å; E206-V263 WeakPolarHBondContact CA-O 3.39Å; L207-V263 PolarHBondContact N-O 3.12Å; L207-V263 PolarHBondContact O-N 2.89Å; I233-V263 HydrophobicContact CD1-CG2 3.88Å; V247-V263 HydrophobicContact CG1-CG2 4.03Å; V247-V263 HydrophobicContact CG2-CG1 4.13Å; V263-R265 HydrophobicContact CG1-CG 4.49Å |
| 264 | K | 92.1 | Very high | 91.2 | Very high | 125 Ų | 125 | 68.8 Ų | 68.8 | 54% | 0.543 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.8 | 175.5 | -174.4 | 176.9 | 179.7 | 178.1 | 0 | 110.1 | S204 W205 | S204-K264 WeakPolarHBondContact OG-CE 3.35Å; S204-K264 PolarHBondContact OG-NZ 2.66Å; W205-K264 WeakPolarHBondContact O-CA 3.37Å; W205-K264 WeakPolarHBondContact O-CG 3.5Å |
| 265 | R | 91.1 | Very high | 91.5 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 25% | 0.249 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.7 | 173.9 | -66.8 | -65 | -158.2 | 171.9 | 9.4 | 110.1 | S204 W205 L235 Y240 N244 V263 | S204-R265 VanDerWaalsContact CA-O 3.31Å; S204-R265 WeakPolarHBondContact CA-O 3.49Å; S204-R265 VanDerWaalsContact CB-O 3.24Å; S204-R265 WeakPolarHBondContact CB-O 3.3Å; W205-R265 HydrophobicContact CD2-CB 4.42Å; W205-R265 HydrophobicContact CH2-CB 3.91Å; W205-R265 HydrophobicContact CH2-CG 3.74Å; W205-R265 HydrophobicContact CZ2-CB 3.59Å; W205-R265 HydrophobicContact CZ2-CG 3.83Å; W205-R265 HydrophobicContact CZ3-CB 4.43Å; W205-R265 HydrophobicContact CZ3-CG 4.41Å; W205-R265 PolarHBondContact N-O 3.47Å; W205-R265 VanDerWaalsContact N-O 3.11Å; W205-R265 PolarHBondContact O-N 2.77Å; W205-R265 VanDerWaalsContact O-N 3.14Å; L235-R265 HydrophobicContact CD1-CG 4.48Å; Y240-R265 HydrophobicContact CE1-CB 4.17Å; N244-R265 PolarHBondContact O-NH2 3.3Å; N244-R265 PolarHBondContact OD1-NH1 2.93Å; V263-R265 HydrophobicContact CG1-CG 4.49Å |
| 266 | P | 88.9 | Confident | 91.8 | Very high | 75 Ų | 75 | 63 Ų | 63 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 153.1 | 166.8 | 31.3 | -35.1 | 0 | 0 | 0 | 110.7 | I202 A203 Y240 | I202-P266 HydrophobicContact CG2-CB 3.84Å; A203-P266 WeakPolarHBondContact O-CA 3.47Å; Y240-P266 PolarHBondContact OH-O 2.67Å |
| 267 | G | 86.6 | Confident | 91.9 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | trans | 147.3 | 138.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F188 A203 | F188-G267 WeakPolarHBondContact CE2-O 3.47Å; A203-G267 PolarHBondContact O-N 2.81Å | ||
| 268 | D | 85.9 | Confident | 92.1 | Very high | 114 Ų | 114 | 55 Ų | 55 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -113.2 | -2.6 | -179.3 | 61.3 | -27.6 | 0 | 0 | 0 | 113.3 | A203 | A203-D268 HydrophobicContact CB-CB 4.1Š|
| 269 | V | 89.4 | Confident | 92.1 | Very high | 81 Ų | 81 | 53.8 Ų | 53.8 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -103 | 142.9 | 176 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | V271 | V269-V271 VanDerWaalsContact O-CG2 3.29Å; V269-V271 WeakPolarHBondContact O-CG2 3.45Å; V269-V271 PolarHBondContact O-N 2.95Å |
| 270 | S | 88.9 | Confident | 92.1 | Very high | 50 Ų | 50 | 52.2 Ų | 52.2 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | trans | -63.4 | 128.5 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | I368 V370 | S270-I368 CarbonylContact C-O 3.5Å; S270-I368 WeakPolarHBondContact CA-O 3.33Å; S270-I368 WeakPolarHBondContact CB-O 3.48Å; S270-V370 PolarHBondContact OG-N 3.2Å | ||
| 271 | V | 90.4 | Very high | 92 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.6 | -171 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | L235 D236 L239 Y240 V269 I368 | L235-V271 HydrophobicContact CB-CG1 4.41Å; D236-V271 HydrophobicContact CB-CG1 4.24Å; L239-V271 HydrophobicContact CD2-CG1 4.43Å; L239-V271 HydrophobicContact CD2-CG2 3.8Å; Y240-V271 HydrophobicContact CD2-CG1 4.49Å; Y240-V271 HydrophobicContact CE2-CG1 3.93Å; Y240-V271 HydrophobicContact CE2-CG2 4.06Å; V269-V271 VanDerWaalsContact O-CG2 3.29Å; V269-V271 WeakPolarHBondContact O-CG2 3.45Å; V269-V271 PolarHBondContact O-N 2.95Å; V271-I368 HydrophobicContact CB-CB 4.3Å; V271-I368 HydrophobicContact CB-CD1 4.39Å; V271-I368 PolarHBondContact N-O 3.02Å; V271-I368 WeakPolarHBondContact O-CB 3.44Å; V271-I368 PolarHBondContact O-N 3.29Å |
| 272 | R | 91.9 | Very high | 91.6 | Very high | 164 Ų | 164 | 58 Ų | 58 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 137.9 | 168 | -61.3 | 179.5 | -60.9 | 167.2 | 3.1 | 109.5 | D236 V367 | D236-R272 PolarHBondContact N-O 2.81Å; D236-R272 IonicContact OD1-NH2 3.6Å; D236-R272 IonicContact OD2-CZ 3.64Å; D236-R272 IonicContact OD2-NE 2.63Å; D236-R272 PolarHBondContact OD2-NE 3.45Å; D236-R272 IonicContact OD2-NH2 2.72Å; D236-R272 PolarHBondContact OD2-NH2 3.07Å; R272-V367 HydrophobicContact CG-CG2 4.35Å |
| 273 | C | 93.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.1 | 173.8 | 66 | 0 | 0 | 0 | 0 | 113.1 | I233 E234 L235 H366 I368 | I233-C273 HydrophobicContact CG2-CB 4.28Å; E234-C273 CarbonylContact O-C 3.52Å; E234-C273 WeakPolarHBondContact O-CA 3.29Å; E234-C273 VanDerWaalsContact O-CB 3.32Å; E234-C273 WeakPolarHBondContact O-CB 3.44Å; L235-C273 HydrophobicContact CD2-CB 3.78Å; C273-H366 PolarHBondContact N-O 3.36Å; C273-H366 PolarHBondContact O-N 3.46Å; C273-H366 VanDerWaalsContact O-O 3.11Å; C273-I368 HydrophobicContact CB-CD1 4.44Å |
| 274 | T | 95.3 | Very high | 91.3 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.4 | 178 | -51.1 | 0 | 0 | 0 | 0 | 108 | E234 L276 V363 | E234-T274 PolarHBondContact N-O 3.42Å; E234-T274 PolarHBondContact O-N 2.76Å; T274-L276 HydrophobicContact CG2-CD1 4.01Å; T274-L276 HydrophobicContact CG2-CG 4.3Å; T274-V363 HydrophobicContact CG2-CG1 3.54Å |
| 275 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.7 | 174.7 | -60.9 | 87.2 | 0 | 0 | 0 | 108.8 | I184 V209 V232 I233 V363 I364 H366 | I184-L275 HydrophobicContact CD1-CD1 4.15Å; I184-L275 HydrophobicContact CD1-CD2 3.8Å; I184-L275 HydrophobicContact CG1-CD2 4.37Å; V209-L275 HydrophobicContact CB-CD2 4.49Å; V209-L275 HydrophobicContact CG1-CD2 4.06Å; V209-L275 HydrophobicContact CG2-CD2 3.55Å; V232-L275 WeakPolarHBondContact O-CA 3.33Å; I233-L275 HydrophobicContact CG1-CD2 4.49Å; I233-L275 HydrophobicContact CG1-CG 4.29Å; L275-V363 CarbonylContact O-C 3.47Å; L275-V363 WeakPolarHBondContact O-CA 3.47Å; L275-I364 HydrophobicContact CB-CB 4.37Å; L275-I364 WeakPolarHBondContact CD1-O 3.43Å; L275-I364 PolarHBondContact N-O 2.98Å; L275-I364 PolarHBondContact O-N 3.18Å; L275-H366 HydrophobicContact CD1-CB 3.97Å |
| 276 | L | 96.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 107.5 | 176.8 | -56.3 | 94.8 | 0 | 0 | 0 | 109.4 | V232 E234 T274 P361 V363 | V232-L276 HydrophobicContact CB-CB 4.33Å; V232-L276 HydrophobicContact CB-CD1 4.35Å; V232-L276 HydrophobicContact CG1-CD1 4.29Å; V232-L276 PolarHBondContact N-O 3.44Å; V232-L276 PolarHBondContact O-N 3.41Å; E234-L276 HydrophobicContact CB-CD1 4.31Å; T274-L276 HydrophobicContact CG2-CD1 4.01Å; T274-L276 HydrophobicContact CG2-CG 4.3Å; L276-P361 HydrophobicContact CB-CB 4.13Å; L276-P361 HydrophobicContact CD2-CG 4.2Å; L276-V363 HydrophobicContact CD2-CG2 4.5Å |
| 277 | L | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 109.8 | -173 | -69.3 | 161.3 | 0 | 0 | 0 | 110.6 | L182 F228 L231 I362 I364 I383 | L182-L277 HydrophobicContact CD2-CD1 3.49Å; L182-L277 VanDerWaalsContact CD2-CD1 3.49Å; L182-L277 HydrophobicContact CD2-CD2 4.43Å; F228-L277 HydrophobicContact CD1-CB 4.06Å; F228-L277 HydrophobicContact CD1-CD2 4.16Å; F228-L277 HydrophobicContact CE1-CB 3.82Å; F228-L277 HydrophobicContact CE1-CD2 4Å; F228-L277 HydrophobicContact CE1-CG 4.38Å; F228-L277 HydrophobicContact CZ-CD2 4.39Å; L231-L277 HydrophobicContact CB-CD2 4.3Å; L231-L277 HydrophobicContact CD1-CD2 3.55Å; L231-L277 HydrophobicContact CG-CD2 3.76Å; L277-I362 HydrophobicContact CB-CB 4.2Å; L277-I362 PolarHBondContact N-O 3.05Å; L277-I362 PolarHBondContact O-N 2.8Å; L277-I364 HydrophobicContact CD1-CD1 3.81Å; L277-I364 HydrophobicContact CD1-CG1 4.48Å; L277-I383 HydrophobicContact CD1-CD1 4.14Å |
| 278 | M | 94.7 | Very high | 92.3 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.1 | 179.8 | -65.5 | -119.2 | -75.4 | 0 | 0 | 110.7 | F228 K229 S230 P361 | F228-M278 CarbonylContact C-O 3.57Å; F228-M278 VanDerWaalsContact CA-O 3.26Å; F228-M278 WeakPolarHBondContact CA-O 3.5Å; F228-M278 WeakPolarHBondContact CB-O 3.36Å; K229-M278 PolarHBondContact N-O 2.74Å; S230-M278 PolarHBondContact N-O 2.94Å; S230-M278 PolarHBondContact O-N 2.73Å; S230-M278 WeakPolarHBondContact OG-CB 3.36Å; M278-P361 HydrophobicContact CG-CB 4.05Å; M278-P361 HydrophobicContact SD-CB 4.38Å |
| 279 | L | 93.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 141.6 | 179.2 | -72.3 | 171.6 | 0 | 0 | 0 | 112.6 | F227 F228 Y281 I362 I383 V385 | F227-L279 WeakPolarHBondContact O-CA 3.38Å; F227-L279 WeakPolarHBondContact O-CD2 3.4Å; F228-L279 HydrophobicContact CD1-CD2 3.87Å; F228-L279 HydrophobicContact CD1-CG 4.45Å; F228-L279 HydrophobicContact CE1-CD2 3.52Å; F228-L279 HydrophobicContact CE1-CG 4.27Å; F228-L279 HydrophobicContact CZ-CD2 4.09Å; L279-Y281 HydrophobicContact CB-CD2 4.23Å; L279-Y281 HydrophobicContact CB-CE2 3.79Å; L279-Y281 HydrophobicContact CD1-CE1 4.43Å; L279-Y281 PolarHBondContact O-N 3.44Å; L279-I362 HydrophobicContact CD1-CD1 3.76Å; L279-I362 HydrophobicContact CG-CD1 4.21Å; L279-I383 HydrophobicContact CD1-CG2 4.24Å; L279-I383 HydrophobicContact CD2-CG2 4.45Å; L279-V385 HydrophobicContact CD2-CG1 3.94Å |
| 280 | D | 92.3 | Very high | 93 | Very high | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | trans | -88.4 | 86.8 | 173.3 | -170.2 | 38.5 | 0 | 0 | 0 | 111.1 | F227 K229 Q282 | F227-D280 PolarHBondContact O-N 2.93Å; K229-D280 HydrophobicContact CB-CB 4.13Å; D280-Q282 PolarHBondContact O-N 3.27Å; D280-Q282 PolarHBondContact OD2-NE2 3.48Å | ||
| 281 | Y | 89.8 | Confident | 93.2 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | trans | -73.5 | 118.7 | 177.5 | -66 | -77.3 | 0 | 0 | 0 | 111.5 | L279 P283 P284 Q285 P359 | L279-Y281 HydrophobicContact CB-CD2 4.23Å; L279-Y281 HydrophobicContact CB-CE2 3.79Å; L279-Y281 HydrophobicContact CD1-CE1 4.43Å; L279-Y281 PolarHBondContact O-N 3.44Å; Y281-P283 CarbonylContact C-O 3.55Å; Y281-P283 CarbonylContact O-C 3.58Å; Y281-P284 VanDerWaalsContact O-CA 3.29Å; Y281-P284 WeakPolarHBondContact O-CA 3.39Å; Y281-P284 VanDerWaalsContact O-N 3.17Å; Y281-Q285 HydrophobicContact CD1-CB 4.15Å; Y281-Q285 VanDerWaalsContact CD1-CD 3.5Å; Y281-Q285 HydrophobicContact CD1-CG 3.89Å; Y281-Q285 HydrophobicContact CD2-CB 4.24Å; Y281-Q285 HydrophobicContact CG-CB 3.88Å; Y281-Q285 HydrophobicContact CG-CG 4Å; Y281-P359 HydrophobicContact CD2-CB 4.39Å; Y281-P359 HydrophobicContact CD2-CG 4Å; Y281-P359 HydrophobicContact CE2-CB 3.87Å; Y281-P359 HydrophobicContact CE2-CG 3.97Å | ||
| 282 | Q | 86.3 | Confident | 93.4 | Very high | 116 Ų | 116 | 50.1 Ų | 50.1 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -124.5 | 106.4 | 177.4 | -62.4 | -168.9 | 12.6 | 0 | 0 | 111.6 | K175 D280 | K175-Q282 WeakPolarHBondContact CE-O 3.31Å; D280-Q282 PolarHBondContact O-N 3.27Å; D280-Q282 PolarHBondContact OD2-NE2 3.48Å |
| 283 | P | 89.8 | Confident | 93.6 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | S | Bend | cis | -72.1 | 161.1 | 3.5 | 32.2 | -37.7 | 0 | 0 | 0 | 113.2 | P173 Y281 Q285 T302 | P173-P283 HydrophobicContact CG-CG 4Å; Y281-P283 CarbonylContact C-O 3.55Å; Y281-P283 CarbonylContact O-C 3.58Å; P283-Q285 PolarHBondContact O-N 3.04Å; P283-T302 HydrophobicContact CG-CG2 3.89Å |
| 284 | P | 91.4 | Very high | 93.6 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 125.7 | -179 | -30.2 | 36.8 | 0 | 0 | 0 | 113.6 | Y281 F286 | Y281-P284 VanDerWaalsContact O-CA 3.29Å; Y281-P284 WeakPolarHBondContact O-CA 3.39Å; Y281-P284 VanDerWaalsContact O-N 3.17Å; P284-F286 HydrophobicContact CB-CE2 3.97Å; P284-F286 HydrophobicContact CB-CZ 4.09Å; P284-F286 WeakPolarHBondContact O-CE2 3.29Å |
| 285 | Q | 93.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 154.7 | 167.4 | -61.9 | -172.9 | 31.4 | 0 | 0 | 109.6 | Y281 P283 T300 Q301 T302 P359 E386 | Y281-Q285 HydrophobicContact CD1-CB 4.15Å; Y281-Q285 VanDerWaalsContact CD1-CD 3.5Å; Y281-Q285 HydrophobicContact CD1-CG 3.89Å; Y281-Q285 HydrophobicContact CD2-CB 4.24Å; Y281-Q285 HydrophobicContact CG-CB 3.88Å; Y281-Q285 HydrophobicContact CG-CG 4Å; P283-Q285 PolarHBondContact O-N 3.04Å; Q285-T300 HydrophobicContact CB-CG2 4.06Å; Q285-Q301 CarbonylContact C-O 3.52Å; Q285-Q301 WeakPolarHBondContact CA-O 3.5Å; Q285-T302 HydrophobicContact CG-CG2 3.95Å; Q285-P359 WeakPolarHBondContact O-CD 3.37Å; Q285-P359 WeakPolarHBondContact O-CG 3.37Å; Q285-E386 PolarHBondContact NE2-OE1 3.42Å; Q285-E386 PolarHBondContact NE2-OE2 3.48Å |
| 286 | F | 94.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.7 | -176.8 | -62 | -91.6 | 0 | 0 | 0 | 109 | P284 T300 Q301 R303 L356 L357 | P284-F286 HydrophobicContact CB-CE2 3.97Å; P284-F286 HydrophobicContact CB-CZ 4.09Å; P284-F286 WeakPolarHBondContact O-CE2 3.29Å; F286-T300 VanDerWaalsContact O-CA 3.28Å; F286-T300 WeakPolarHBondContact O-CA 3.06Å; F286-Q301 PolarHBondContact N-O 2.69Å; F286-Q301 PolarHBondContact O-N 2.87Å; F286-R303 HydrophobicContact CD2-CB 4.39Å; F286-R303 HydrophobicContact CE2-CB 4.25Å; F286-L356 HydrophobicContact CB-CB 3.96Å; F286-L356 HydrophobicContact CB-CD1 4.47Å; F286-L356 HydrophobicContact CB-CD2 3.91Å; F286-L356 HydrophobicContact CB-CG 4.31Å; F286-L356 HydrophobicContact CD1-CB 3.92Å; F286-L356 HydrophobicContact CD1-CD1 4.5Å; F286-L356 HydrophobicContact CD2-CD1 4.33Å; F286-L356 HydrophobicContact CG-CB 4.05Å; F286-L356 HydrophobicContact CG-CD1 4.18Å; F286-L356 HydrophobicContact CG-CD2 4.5Å; F286-L356 HydrophobicContact CG-CG 4.46Å; F286-L357 CarbonylContact C-O 3.54Å; F286-L357 WeakPolarHBondContact CA-O 3.4Å |
| 287 | K | 95.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.6 | 167.9 | 167.9 | 170.2 | 165.5 | 173.5 | 0 | 108.8 | L357 P358 D360 | K287-L357 HydrophobicContact CB-CB 4.22Å; K287-L357 HydrophobicContact CG-CB 4.39Å; K287-L357 PolarHBondContact N-O 3.02Å; K287-L357 PolarHBondContact O-N 3.28Å; K287-P358 WeakPolarHBondContact CB-O 3.46Å; K287-D360 WeakPolarHBondContact CD-OD1 3.26Å; K287-D360 WeakPolarHBondContact CD-OD2 3.46Å; K287-D360 WeakPolarHBondContact CE-OD2 3.37Å; K287-D360 IonicContact NZ-OD1 2.83Å; K287-D360 PolarHBondContact NZ-OD1 2.88Å; K287-D360 IonicContact NZ-OD2 2.68Å; K287-D360 PolarHBondContact NZ-OD2 3.48Å |
| 288 | L | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 147.4 | 177.5 | -73.8 | 157.8 | 0 | 0 | 0 | 111.1 | L292 A293 L296 I298 H299 I306 L356 | L288-L292 HydrophobicContact CD2-CD2 3.55Å; L288-L292 HydrophobicContact CD2-CG 3.93Å; L288-A293 HydrophobicContact CB-CB 3.77Å; L288-L296 HydrophobicContact CD1-CD1 4.42Å; L288-I298 HydrophobicContact CD1-CB 3.79Å; L288-I298 HydrophobicContact CD1-CG2 3.66Å; L288-I298 WeakPolarHBondContact CD1-O 3.43Å; L288-H299 PolarHBondContact N-O 2.9Å; L288-I306 HydrophobicContact CD1-CD1 4.31Å; L288-I306 HydrophobicContact CD1-CG1 4.2Å; L288-I306 HydrophobicContact CD2-CD1 3.94Å; L288-I306 HydrophobicContact CD2-CG1 4.23Å; L288-I306 HydrophobicContact CD2-CG2 3.77Å; L288-I306 HydrophobicContact CG-CD1 4.09Å; L288-I306 HydrophobicContact CG-CG1 4.47Å; L288-L356 HydrophobicContact CD2-CD2 3.84Å |
| 289 | D | 94.9 | Very high | 93.3 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -46.9 | 136.2 | 161.8 | 165.8 | -91.1 | 0 | 0 | 0 | 110.4 | R291 L292 A293 L355 | D289-R291 PolarHBondContact O-N 3.38Å; D289-R291 WeakPolarHBondContact OD1-CA 3.4Å; D289-R291 WeakPolarHBondContact OD1-CB 3.4Å; D289-R291 WeakPolarHBondContact OD1-CG 3.37Å; D289-R291 PolarHBondContact OD1-N 3.05Å; D289-L292 HydrophobicContact CB-CB 4.37Å; D289-L292 PolarHBondContact O-N 3.04Å; D289-L292 VanDerWaalsContact O-N 3.14Å; D289-L292 PolarHBondContact OD1-N 3.05Å; D289-A293 VanDerWaalsContact O-CB 3.27Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.06Å; D289-L355 HydrophobicContact CB-CB 4.28Å; D289-L355 HydrophobicContact CB-CD2 4.1Å; D289-L355 PolarHBondContact N-O 2.89Å; D289-L355 VanDerWaalsContact N-O 3.1Å |
| 290 | P | 94.5 | Very high | 93.2 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.7 | -25 | -174 | -29 | 36.4 | 0 | 0 | 0 | 116 | R294 | P290-R294 WeakPolarHBondContact O-CB 3.44Å; P290-R294 PolarHBondContact O-N 2.84Å |
| 291 | R | 93.9 | Very high | 93.3 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -80.6 | -46.3 | -179.5 | -47.9 | 160.3 | 73.8 | -149.7 | 3.8 | 109.3 | D289 R294 L295 Q336 I337 | D289-R291 PolarHBondContact O-N 3.38Å; D289-R291 WeakPolarHBondContact OD1-CA 3.4Å; D289-R291 WeakPolarHBondContact OD1-CB 3.4Å; D289-R291 WeakPolarHBondContact OD1-CG 3.37Å; D289-R291 PolarHBondContact OD1-N 3.05Å; R291-R294 PolarHBondContact O-N 3.23Å; R291-L295 PolarHBondContact O-N 3.47Å; R291-L295 VanDerWaalsContact O-N 3.11Å; R291-Q336 PolarHBondContact NH1-O 3.26Å; R291-Q336 PolarHBondContact NH2-O 3.25Å; R291-I337 HydrophobicContact CB-CD1 4.49Å; R291-I337 HydrophobicContact CB-CG1 4.07Å |
| 292 | L | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 173.4 | -178.4 | 59.6 | 0 | 0 | 0 | 112.1 | L288 D289 R294 L295 L296 L310 I337 L352 L355 | L288-L292 HydrophobicContact CD2-CD2 3.55Å; L288-L292 HydrophobicContact CD2-CG 3.93Å; D289-L292 HydrophobicContact CB-CB 4.37Å; D289-L292 PolarHBondContact O-N 3.04Å; D289-L292 VanDerWaalsContact O-N 3.14Å; D289-L292 PolarHBondContact OD1-N 3.05Å; L292-R294 PolarHBondContact O-N 3.27Å; L292-L295 PolarHBondContact O-N 2.95Å; L292-L296 HydrophobicContact CD1-CD1 3.8Å; L292-L296 HydrophobicContact CD1-CG 3.93Å; L292-L296 HydrophobicContact CG-CD1 4.06Å; L292-L296 HydrophobicContact CG-CG 4.47Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 2.93Å; L292-L310 HydrophobicContact CD1-CD2 3.93Å; L292-I337 HydrophobicContact CB-CD1 4.27Å; L292-I337 HydrophobicContact CB-CG2 4.18Å; L292-I337 HydrophobicContact CD1-CD1 4.31Å; L292-I337 HydrophobicContact CD1-CG2 4.3Å; L292-L352 HydrophobicContact CD2-CD1 3.65Å; L292-L355 HydrophobicContact CD2-CB 4.04Å; L292-L355 HydrophobicContact CD2-CD1 4.09Å |
| 293 | A | 94.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L288 D289 L295 L296 G297 I298 | L288-A293 HydrophobicContact CB-CB 3.77Å; D289-A293 VanDerWaalsContact O-CB 3.27Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.06Å; A293-L295 VanDerWaalsContact C-N 3.34Å; A293-L295 PolarHBondContact O-N 3.36Å; A293-L296 PolarHBondContact O-N 3.32Å; A293-G297 PolarHBondContact O-N 2.7Å; A293-I298 CarbonylContact C-O 3.59Å; A293-I298 WeakPolarHBondContact CA-O 3.41Å; A293-I298 WeakPolarHBondContact CB-O 3.35Å; A293-I298 PolarHBondContact O-N 3.41Å; A293-I298 VanDerWaalsContact O-N 3.14Å |
| 294 | R | 94.4 | Very high | 93.9 | Very high | 204 Ų | 204 | 58.2 Ų | 58.2 | 77% | 0.77 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.1 | -37 | 176.3 | -173.2 | -179.6 | -63.7 | 134.6 | 2.1 | 112.4 | P290 R291 L292 | P290-R294 WeakPolarHBondContact O-CB 3.44Å; P290-R294 PolarHBondContact O-N 2.84Å; R291-R294 PolarHBondContact O-N 3.23Å; L292-R294 PolarHBondContact O-N 3.27Å |
| 295 | L | 93.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 18% | 0.183 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | -180 | -168.2 | 66.3 | 0 | 0 | 0 | 112.9 | R291 L292 A293 Y313 Y333 F334 I337 | R291-L295 PolarHBondContact O-N 3.47Å; R291-L295 VanDerWaalsContact O-N 3.11Å; L292-L295 PolarHBondContact O-N 2.95Å; A293-L295 VanDerWaalsContact C-N 3.34Å; A293-L295 PolarHBondContact O-N 3.36Å; L295-Y313 HydrophobicContact CD1-CD2 4.49Å; L295-Y313 HydrophobicContact CD1-CE2 3.57Å; L295-Y313 HydrophobicContact CD2-CE1 4.28Å; L295-Y313 HydrophobicContact CD2-CE2 4.23Å; L295-Y313 HydrophobicContact CG-CD2 4.21Å; L295-Y313 HydrophobicContact CG-CE2 3.74Å; L295-Y333 HydrophobicContact CD1-CD1 4.5Å; L295-Y333 HydrophobicContact CD1-CD2 4.2Å; L295-Y333 HydrophobicContact CD1-CG 3.88Å; L295-F334 HydrophobicContact CD2-CD1 3.73Å; L295-F334 HydrophobicContact CD2-CE1 3.78Å; L295-I337 HydrophobicContact CB-CD1 4.19Å; L295-I337 HydrophobicContact CD2-CD1 3.67Å |
| 296 | L | 94.2 | Very high | 94 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -87.7 | -16 | -179 | -61.6 | -179 | 0 | 0 | 0 | 113.8 | L288 L292 A293 I298 I306 A309 L310 | L288-L296 HydrophobicContact CD1-CD1 4.42Å; L292-L296 HydrophobicContact CD1-CD1 3.8Å; L292-L296 HydrophobicContact CD1-CG 3.93Å; L292-L296 HydrophobicContact CG-CD1 4.06Å; L292-L296 HydrophobicContact CG-CG 4.47Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 2.93Å; A293-L296 PolarHBondContact O-N 3.32Å; L296-I298 VanDerWaalsContact C-N 3.29Å; L296-I298 HydrophobicContact CB-CB 4.27Å; L296-I298 HydrophobicContact CB-CD1 4.27Å; L296-I298 HydrophobicContact CB-CG1 4.21Å; L296-I306 HydrophobicContact CD1-CG2 4.26Å; L296-A309 HydrophobicContact CD1-CB 4.28Å; L296-A309 HydrophobicContact CD2-CB 4.18Å; L296-L310 HydrophobicContact CD1-CG 4.12Å; L296-L310 HydrophobicContact CD2-CD2 4.17Å; L296-L310 HydrophobicContact CD2-CG 4.17Å |
| 297 | G | 93.3 | Very high | 93.9 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 74% | 0.742 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 24.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | A293 | A293-G297 PolarHBondContact O-N 2.7Š|
| 298 | I | 93.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | trans | -128.4 | 130.6 | -173.7 | -60.1 | 176.1 | 0 | 0 | 0 | 108.6 | L288 A293 L296 Q301 A309 | L288-I298 HydrophobicContact CD1-CB 3.79Å; L288-I298 HydrophobicContact CD1-CG2 3.66Å; L288-I298 WeakPolarHBondContact CD1-O 3.43Å; A293-I298 CarbonylContact C-O 3.59Å; A293-I298 WeakPolarHBondContact CA-O 3.41Å; A293-I298 WeakPolarHBondContact CB-O 3.35Å; A293-I298 PolarHBondContact O-N 3.41Å; A293-I298 VanDerWaalsContact O-N 3.14Å; L296-I298 VanDerWaalsContact C-N 3.29Å; L296-I298 HydrophobicContact CB-CB 4.27Å; L296-I298 HydrophobicContact CB-CD1 4.27Å; L296-I298 HydrophobicContact CB-CG1 4.21Å; I298-Q301 HydrophobicContact CG2-CB 3.63Å; I298-Q301 HydrophobicContact CG2-CG 3.45Å; I298-Q301 VanDerWaalsContact CG2-CG 3.45Å; I298-A309 HydrophobicContact CD1-CB 3.46Å; I298-A309 VanDerWaalsContact CD1-CB 3.46Å | ||
| 299 | H | 93.6 | Very high | 93.8 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -94.7 | -54.6 | 176.2 | -176.4 | 35.5 | 0 | 0 | 0 | 112.7 | L288 | L288-H299 PolarHBondContact N-O 2.9Š|
| 300 | T | 93.4 | Very high | 93.7 | Very high | 35 Ų | 35 | 57.6 Ų | 57.6 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.5 | -178 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | Q285 F286 P359 | Q285-T300 HydrophobicContact CB-CG2 4.06Å; F286-T300 VanDerWaalsContact O-CA 3.28Å; F286-T300 WeakPolarHBondContact O-CA 3.06Å; T300-P359 HydrophobicContact CG2-CB 4.21Å; T300-P359 HydrophobicContact CG2-CG 4.24Å |
| 301 | Q | 93.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 29% | 0.294 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 170.4 | -177.7 | -100.7 | -56.1 | -28.6 | 0 | 0 | 113.3 | Q285 F286 I298 C305 I306 | Q285-Q301 CarbonylContact C-O 3.52Å; Q285-Q301 WeakPolarHBondContact CA-O 3.5Å; F286-Q301 PolarHBondContact N-O 2.69Å; F286-Q301 PolarHBondContact O-N 2.87Å; I298-Q301 HydrophobicContact CG2-CB 3.63Å; I298-Q301 HydrophobicContact CG2-CG 3.45Å; I298-Q301 VanDerWaalsContact CG2-CG 3.45Å; Q301-C305 HydrophobicContact CB-CB 4.42Å; Q301-C305 HydrophobicContact CG-CB 4.34Å; Q301-I306 HydrophobicContact CB-CD1 4.05Å; Q301-I306 HydrophobicContact CB-CG1 3.77Å; Q301-I306 WeakPolarHBondContact O-CD1 3.18Å |
| 302 | T | 93.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.129 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 147.8 | 170.8 | 79.9 | 0 | 0 | 0 | 0 | 111.4 | P283 Q285 S304 C305 I306 | P283-T302 HydrophobicContact CG-CG2 3.89Å; Q285-T302 HydrophobicContact CG-CG2 3.95Å; T302-S304 PolarHBondContact O-N 3.42Å; T302-S304 VanDerWaalsContact O-N 3.11Å; T302-C305 PolarHBondContact O-N 3.34Å; T302-C305 VanDerWaalsContact O-N 3.09Å; T302-C305 PolarHBondContact OG1-N 2.8Å; T302-C305 PolarHBondContact OG1-SG 3.4Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 PolarHBondContact O-N 3.21Å |
| 303 | R | 92.5 | Very high | 93.8 | Very high | 94 Ų | 94 | 58.8 Ų | 58.8 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.1 | -32.7 | 177.2 | -170.8 | 175.7 | -167.2 | 171.2 | 9.2 | 113.2 | F286 I307 P349 L352 T353 L356 | F286-R303 HydrophobicContact CD2-CB 4.39Å; F286-R303 HydrophobicContact CE2-CB 4.25Å; R303-I307 HydrophobicContact CG-CD1 4.15Å; R303-I307 VanDerWaalsContact O-CG1 3.31Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.15Å; R303-I307 VanDerWaalsContact O-N 3.1Å; R303-P349 PolarHBondContact NH2-O 3.01Å; R303-L352 HydrophobicContact CG-CD2 4.44Å; R303-T353 PolarHBondContact NH2-OG1 2.9Å; R303-L356 HydrophobicContact CB-CD1 4.33Å; R303-L356 HydrophobicContact CG-CD1 3.91Å |
| 304 | S | 91.9 | Very high | 93.8 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 51% | 0.51 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.1 | -48.8 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | T302 I306 I307 Q308 | T302-S304 PolarHBondContact O-N 3.42Å; T302-S304 VanDerWaalsContact O-N 3.11Å; S304-I306 VanDerWaalsContact C-N 3.29Å; S304-I306 PolarHBondContact O-N 2.81Å; S304-I307 PolarHBondContact O-N 3.43Å; S304-Q308 WeakPolarHBondContact O-CG 3.39Å; S304-Q308 PolarHBondContact O-N 3.03Å |
| 305 | C | 92.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 177 | -63.3 | 0 | 0 | 0 | 0 | 112 | Q301 T302 Q308 A309 | Q301-C305 HydrophobicContact CB-CB 4.42Å; Q301-C305 HydrophobicContact CG-CB 4.34Å; T302-C305 PolarHBondContact O-N 3.34Å; T302-C305 VanDerWaalsContact O-N 3.09Å; T302-C305 PolarHBondContact OG1-N 2.8Å; T302-C305 PolarHBondContact OG1-SG 3.4Å; C305-Q308 PolarHBondContact O-N 2.92Å; C305-A309 WeakPolarHBondContact O-CB 3.18Å; C305-A309 PolarHBondContact O-N 2.81Å |
| 306 | I | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 176.2 | -66.9 | 165.1 | 0 | 0 | 0 | 111.3 | L288 L296 Q301 T302 S304 Q308 A309 L310 L352 L356 | L288-I306 HydrophobicContact CD1-CD1 4.31Å; L288-I306 HydrophobicContact CD1-CG1 4.2Å; L288-I306 HydrophobicContact CD2-CD1 3.94Å; L288-I306 HydrophobicContact CD2-CG1 4.23Å; L288-I306 HydrophobicContact CD2-CG2 3.77Å; L288-I306 HydrophobicContact CG-CD1 4.09Å; L288-I306 HydrophobicContact CG-CG1 4.47Å; L296-I306 HydrophobicContact CD1-CG2 4.26Å; Q301-I306 HydrophobicContact CB-CD1 4.05Å; Q301-I306 HydrophobicContact CB-CG1 3.77Å; Q301-I306 WeakPolarHBondContact O-CD1 3.18Å; T302-I306 WeakPolarHBondContact O-CG1 3.46Å; T302-I306 PolarHBondContact O-N 3.21Å; S304-I306 VanDerWaalsContact C-N 3.29Å; S304-I306 PolarHBondContact O-N 2.81Å; I306-Q308 VanDerWaalsContact C-N 3.32Å; I306-Q308 PolarHBondContact O-N 2.9Å; I306-A309 PolarHBondContact O-N 3.02Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 PolarHBondContact O-N 3.09Å; I306-L352 HydrophobicContact CG2-CD1 3.95Å; I306-L352 HydrophobicContact CG2-CD2 3.79Å; I306-L352 HydrophobicContact CG2-CG 4.48Å; I306-L356 HydrophobicContact CD1-CD2 3.65Å; I306-L356 HydrophobicContact CG2-CD2 4.48Å |
| 307 | I | 93.8 | Very high | 93.9 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -37.2 | 175.5 | -69.2 | 167.4 | 0 | 0 | 0 | 111.1 | R303 S304 W311 P349 L352 | R303-I307 HydrophobicContact CG-CD1 4.15Å; R303-I307 VanDerWaalsContact O-CG1 3.31Å; R303-I307 WeakPolarHBondContact O-CG1 3.36Å; R303-I307 PolarHBondContact O-N 3.15Å; R303-I307 VanDerWaalsContact O-N 3.1Å; S304-I307 PolarHBondContact O-N 3.43Å; I307-W311 WeakPolarHBondContact O-CB 3.42Å; I307-W311 PolarHBondContact O-N 3.44Å; I307-P349 HydrophobicContact CD1-CG 4.44Å; I307-L352 HydrophobicContact CD1-CD2 4.32Å; I307-L352 HydrophobicContact CG1-CD2 3.73Å |
| 308 | Q | 93.5 | Very high | 94 | Very high | 120 Ų | 120 | 64.2 Ų | 64.2 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 174 | -71 | 172.2 | 8.5 | 0 | 0 | 112.4 | S304 C305 I306 W311 Q312 | S304-Q308 WeakPolarHBondContact O-CG 3.39Å; S304-Q308 PolarHBondContact O-N 3.03Å; C305-Q308 PolarHBondContact O-N 2.92Å; I306-Q308 VanDerWaalsContact C-N 3.32Å; I306-Q308 PolarHBondContact O-N 2.9Å; Q308-W311 PolarHBondContact O-N 3.15Å; Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.48Å |
| 309 | A | 94.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 63.5 Ų | 63.5 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L296 I298 C305 I306 W311 Q312 Y313 | L296-A309 HydrophobicContact CD1-CB 4.28Å; L296-A309 HydrophobicContact CD2-CB 4.18Å; I298-A309 HydrophobicContact CD1-CB 3.46Å; I298-A309 VanDerWaalsContact CD1-CB 3.46Å; C305-A309 WeakPolarHBondContact O-CB 3.18Å; C305-A309 PolarHBondContact O-N 2.81Å; I306-A309 PolarHBondContact O-N 3.02Å; A309-W311 VanDerWaalsContact C-N 3.3Å; A309-W311 PolarHBondContact O-N 3.22Å; A309-Q312 PolarHBondContact O-N 2.74Å; A309-Y313 PolarHBondContact O-N 3.45Å |
| 310 | L | 94.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.3 | -45.8 | 170.4 | -83 | 164 | 0 | 0 | 0 | 111.6 | L292 L296 I306 Y313 V314 F334 F338 I348 L352 | L292-L310 HydrophobicContact CD1-CD2 3.93Å; L296-L310 HydrophobicContact CD1-CG 4.12Å; L296-L310 HydrophobicContact CD2-CD2 4.17Å; L296-L310 HydrophobicContact CD2-CG 4.17Å; I306-L310 HydrophobicContact CG2-CD1 4.32Å; I306-L310 PolarHBondContact O-N 3.09Å; L310-Y313 WeakPolarHBondContact O-CB 3.33Å; L310-Y313 PolarHBondContact O-N 3.27Å; L310-V314 WeakPolarHBondContact O-CG2 3.46Å; L310-V314 PolarHBondContact O-N 3.23Å; L310-F334 HydrophobicContact CD2-CE1 4.04Å; L310-F334 HydrophobicContact CD2-CE2 4.37Å; L310-F334 HydrophobicContact CD2-CZ 3.59Å; L310-F338 HydrophobicContact CD1-CZ 4.33Å; L310-F338 HydrophobicContact CD2-CE2 4.04Å; L310-F338 HydrophobicContact CD2-CZ 3.91Å; L310-I348 HydrophobicContact CD1-CG2 3.95Å; L310-L352 HydrophobicContact CD1-CD1 4.25Å; L310-L352 HydrophobicContact CD1-CD2 4.27Å |
| 311 | W | 94.2 | Very high | 94.3 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 28% | 0.277 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.6 | -175.5 | -139 | 0 | 0 | 0 | 112.8 | I307 Q308 A309 V314 K315 F345 | I307-W311 WeakPolarHBondContact O-CB 3.42Å; I307-W311 PolarHBondContact O-N 3.44Å; Q308-W311 PolarHBondContact O-N 3.15Å; A309-W311 VanDerWaalsContact C-N 3.3Å; A309-W311 PolarHBondContact O-N 3.22Å; W311-V314 HydrophobicContact CE3-CB 4.09Å; W311-V314 HydrophobicContact CE3-CG1 3.85Å; W311-V314 HydrophobicContact CZ3-CB 4.46Å; W311-V314 HydrophobicContact CZ3-CG1 3.73Å; W311-V314 PolarHBondContact O-N 3.49Å; W311-K315 VanDerWaalsContact CE2-CE 3.45Å; W311-K315 WeakPolarHBondContact O-CG 3.4Å; W311-K315 PolarHBondContact O-N 3.03Å; W311-F345 AromaticContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CE3-CD2 4.17Å; W311-F345 AromaticContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CG-CE2 4.35Å; W311-F345 HydrophobicContact CZ3-CD2 4.29Å; W311-F345 HydrophobicContact CZ3-CE2 4.29Å |
| 312 | Q | 94.9 | Very high | 94.3 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 173.4 | -175.5 | 57.6 | 32.6 | 0 | 0 | 111.7 | Q308 A309 K315 T316 | Q308-Q312 WeakPolarHBondContact O-CB 3.36Å; Q308-Q312 PolarHBondContact O-N 3.48Å; A309-Q312 PolarHBondContact O-N 2.74Å; Q312-K315 PolarHBondContact O-N 2.95Å; Q312-T316 PolarHBondContact NE2-OG1 3.28Å; Q312-T316 WeakPolarHBondContact O-CB 3.45Å; Q312-T316 PolarHBondContact O-N 2.91Å; Q312-T316 PolarHBondContact O-OG1 2.92Å |
| 313 | Y | 94.9 | Very high | 94.4 | Very high | 35 Ų | 35 | 70 Ų | 70 | 14% | 0.137 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 173.1 | -175.1 | -85.9 | 0 | 0 | 0 | 111.4 | L295 A309 L310 K315 T316 N317 L319 D331 Y333 F334 | L295-Y313 HydrophobicContact CD1-CD2 4.49Å; L295-Y313 HydrophobicContact CD1-CE2 3.57Å; L295-Y313 HydrophobicContact CD2-CE1 4.28Å; L295-Y313 HydrophobicContact CD2-CE2 4.23Å; L295-Y313 HydrophobicContact CG-CD2 4.21Å; L295-Y313 HydrophobicContact CG-CE2 3.74Å; A309-Y313 PolarHBondContact O-N 3.45Å; L310-Y313 WeakPolarHBondContact O-CB 3.33Å; L310-Y313 PolarHBondContact O-N 3.27Å; Y313-K315 VanDerWaalsContact C-N 3.32Å; Y313-K315 PolarHBondContact O-N 3.17Å; Y313-T316 PolarHBondContact O-N 2.96Å; Y313-N317 WeakPolarHBondContact CD2-ND2 3.36Å; Y313-N317 VanDerWaalsContact CE1-ND2 3.32Å; Y313-N317 WeakPolarHBondContact CE1-ND2 3.45Å; Y313-N317 WeakPolarHBondContact CE2-ND2 3.41Å; Y313-N317 PolarHBondContact O-N 3.44Å; Y313-N317 PolarHBondContact O-ND2 3.18Å; Y313-L319 HydrophobicContact CD1-CD1 4.09Å; Y313-L319 HydrophobicContact CE1-CD1 3.8Å; Y313-D331 WeakPolarHBondContact CE1-OD2 3.36Å; Y313-D331 PolarHBondContact OH-OD2 2.85Å; Y313-Y333 WeakPolarHBondContact OH-CD2 3.42Å; Y313-F334 AromaticContact CD1-CD1 3.97Å; Y313-F334 HydrophobicContact CD1-CD1 3.97Å; Y313-F334 AromaticContact CD1-CE1 3.25Å; Y313-F334 HydrophobicContact CD1-CE1 3.25Å; Y313-F334 AromaticContact CD1-CZ 3.74Å; Y313-F334 HydrophobicContact CD1-CZ 3.74Å; Y313-F334 AromaticContact CE1-CD1 3.74Å; Y313-F334 HydrophobicContact CE1-CD1 3.74Å; Y313-F334 AromaticContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CZ 4.34Å; Y313-F334 HydrophobicContact CG-CE1 4.08Å |
| 314 | V | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.2 | -43.8 | 177.1 | 166.6 | 0 | 0 | 0 | 0 | 111.9 | L310 W311 K318 L319 Q320 I328 F334 | L310-V314 WeakPolarHBondContact O-CG2 3.46Å; L310-V314 PolarHBondContact O-N 3.23Å; W311-V314 HydrophobicContact CE3-CB 4.09Å; W311-V314 HydrophobicContact CE3-CG1 3.85Å; W311-V314 HydrophobicContact CZ3-CB 4.46Å; W311-V314 HydrophobicContact CZ3-CG1 3.73Å; W311-V314 PolarHBondContact O-N 3.49Å; V314-K318 WeakPolarHBondContact O-CA 3.49Å; V314-K318 PolarHBondContact O-N 3Å; V314-K318 VanDerWaalsContact O-N 3.08Å; V314-L319 HydrophobicContact CG1-CB 4.27Å; V314-L319 PolarHBondContact O-N 3.37Å; V314-Q320 HydrophobicContact CG1-CB 4.26Å; V314-I328 HydrophobicContact CG1-CD1 4.21Å; V314-I328 HydrophobicContact CG1-CG1 3.96Å; V314-I328 HydrophobicContact CG1-CG2 4.29Å; V314-I328 HydrophobicContact CG2-CD1 3.91Å; V314-I328 HydrophobicContact CG2-CG1 4.34Å; V314-I328 HydrophobicContact CG2-CG2 3.97Å; V314-F334 HydrophobicContact CG2-CE2 3.56Å; V314-F334 HydrophobicContact CG2-CZ 3.74Å |
| 315 | K | 94.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 72 Ų | 72 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 175.5 | -76.3 | -176.6 | 177.1 | -177.9 | 0 | 113 | W311 Q312 Y313 N317 K318 | W311-K315 VanDerWaalsContact CE2-CE 3.45Å; W311-K315 WeakPolarHBondContact O-CG 3.4Å; W311-K315 PolarHBondContact O-N 3.03Å; Q312-K315 PolarHBondContact O-N 2.95Å; Y313-K315 VanDerWaalsContact C-N 3.32Å; Y313-K315 PolarHBondContact O-N 3.17Å; K315-N317 VanDerWaalsContact C-N 3.33Å; K315-N317 PolarHBondContact O-N 2.92Å; K315-K318 PolarHBondContact O-N 3.35Å; K315-K318 VanDerWaalsContact O-N 3.17Å |
| 316 | T | 95.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 74.9 Ų | 74.9 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | -175.3 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | Q312 Y313 K318 | Q312-T316 PolarHBondContact NE2-OG1 3.28Å; Q312-T316 WeakPolarHBondContact O-CB 3.45Å; Q312-T316 PolarHBondContact O-N 2.91Å; Q312-T316 PolarHBondContact O-OG1 2.92Å; Y313-T316 PolarHBondContact O-N 2.96Å; T316-K318 VanDerWaalsContact C-N 3.34Å |
| 317 | N | 95.1 | Very high | 94.6 | Very high | 76 Ų | 76 | 78 Ų | 78 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.8 | 178.1 | -61.3 | -57.5 | 0 | 0 | 0 | 113.8 | Y313 K315 L319 | Y313-N317 WeakPolarHBondContact CD2-ND2 3.36Å; Y313-N317 VanDerWaalsContact CE1-ND2 3.32Å; Y313-N317 WeakPolarHBondContact CE1-ND2 3.45Å; Y313-N317 WeakPolarHBondContact CE2-ND2 3.41Å; Y313-N317 PolarHBondContact O-N 3.44Å; Y313-N317 PolarHBondContact O-ND2 3.18Å; K315-N317 VanDerWaalsContact C-N 3.33Å; K315-N317 PolarHBondContact O-N 2.92Å; N317-L319 VanDerWaalsContact C-N 3.28Å; N317-L319 HydrophobicContact CB-CD1 4.13Å; N317-L319 HydrophobicContact CB-CD2 4.12Å; N317-L319 HydrophobicContact CB-CG 3.8Å; N317-L319 PolarHBondContact O-N 3.48Å |
| 318 | K | 95.3 | Very high | 94.7 | Very high | 185 Ų | 185 | 76.2 Ų | 76.2 | 80% | 0.804 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 38.9 | 179.1 | -55.6 | 178.2 | -176.5 | 174.4 | 0 | 114.3 | V314 K315 T316 Q320 | V314-K318 WeakPolarHBondContact O-CA 3.49Å; V314-K318 PolarHBondContact O-N 3Å; V314-K318 VanDerWaalsContact O-N 3.08Å; K315-K318 PolarHBondContact O-N 3.35Å; K315-K318 VanDerWaalsContact O-N 3.17Å; T316-K318 VanDerWaalsContact C-N 3.34Å; K318-Q320 VanDerWaalsContact C-N 3.34Å; K318-Q320 PolarHBondContact O-N 3.33Å |
| 319 | L | 94.9 | Very high | 94.8 | Very high | 23 Ų | 23 | 73.5 Ų | 73.5 | 12% | 0.12 | 36% | 0.358 | C | S | . | . | trans | -81.2 | -8.9 | -174.9 | -56.9 | -179.7 | 0 | 0 | 0 | 114.2 | Y313 V314 N317 I328 N329 D331 | Y313-L319 HydrophobicContact CD1-CD1 4.09Å; Y313-L319 HydrophobicContact CE1-CD1 3.8Å; V314-L319 HydrophobicContact CG1-CB 4.27Å; V314-L319 PolarHBondContact O-N 3.37Å; N317-L319 VanDerWaalsContact C-N 3.28Å; N317-L319 HydrophobicContact CB-CD1 4.13Å; N317-L319 HydrophobicContact CB-CD2 4.12Å; N317-L319 HydrophobicContact CB-CG 3.8Å; N317-L319 PolarHBondContact O-N 3.48Å; L319-I328 HydrophobicContact CB-CG2 3.86Å; L319-I328 CarbonylContact O-C 3.56Å; L319-I328 WeakPolarHBondContact O-CA 3.35Å; L319-N329 PolarHBondContact O-N 2.87Å; L319-D331 HydrophobicContact CD1-CB 4.23Å; L319-D331 WeakPolarHBondContact CD1-OD2 3.5Å; L319-D331 HydrophobicContact CD2-CB 3.95Å | ||
| 320 | Q | 95.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 72.9 Ų | 72.9 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 133.3 | 172 | -173.9 | 175.1 | 28.4 | 0 | 0 | 109.8 | V314 K318 K325 | V314-Q320 HydrophobicContact CG1-CB 4.26Å; K318-Q320 VanDerWaalsContact C-N 3.34Å; K318-Q320 PolarHBondContact O-N 3.33Å; Q320-K325 PolarHBondContact NE2-O 2.76Å |
| 321 | D | 94.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 74.3 Ų | 74.3 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | trans | -64.6 | 139.6 | -179.6 | -168 | -66.4 | 0 | 0 | 0 | 111.7 | H323 D324 Y327 N329 R342 | D321-H323 PolarHBondContact OD1-N 3.04Å; D321-H323 IonicContact OD1-ND1 2.72Å; D321-D324 WeakPolarHBondContact CB-O 3.36Å; D321-D324 PolarHBondContact OD1-N 2.84Å; D321-Y327 PolarHBondContact N-O 3.22Å; D321-N329 PolarHBondContact OD2-ND2 3.4Å; D321-N329 PolarHBondContact OD2-OD1 3.46Å; D321-R342 VanDerWaalsContact CG-NH2 3.26Å; D321-R342 IonicContact OD1-NH2 2.66Å; D321-R342 IonicContact OD2-CZ 2.69Å; D321-R342 IonicContact OD2-NE 3.2Å; D321-R342 IonicContact OD2-NH2 3.78Å; D321-R342 PolarHBondContact OD2-NH2 3.07Å | ||
| 322 | S | 94.3 | Very high | 94.8 | Very high | 93 Ų | 93 | 78 Ų | 78 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -75.5 | -26.8 | -176 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 323 | H | 94.6 | Very high | 94.7 | Very high | 175 Ų | 175 | 78.9 Ų | 78.9 | 81% | 0.81 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -97 | -43.6 | -179.3 | -54.7 | 96.7 | 0 | 0 | 0 | 110.9 | D321 | D321-H323 PolarHBondContact OD1-N 3.04Å; D321-H323 IonicContact OD1-ND1 2.72Å |
| 324 | D | 94.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 77.3 Ų | 77.3 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | trans | -119.2 | 84.6 | -174.8 | -176.4 | -2.7 | 0 | 0 | 0 | 111.8 | D321 E326 Y327 R342 | D321-D324 WeakPolarHBondContact CB-O 3.36Å; D321-D324 PolarHBondContact OD1-N 2.84Å; D324-E326 PolarHBondContact O-N 3.27Å; D324-E326 PolarHBondContact OD1-N 3.09Å; D324-Y327 HydrophobicContact CB-CD2 4.48Å; D324-Y327 VanDerWaalsContact CG-CD2 3.47Å; D324-Y327 PolarHBondContact O-N 3.19Å; D324-Y327 WeakPolarHBondContact OD2-CD2 3.33Å; D324-Y327 WeakPolarHBondContact OD2-CE2 3.48Å; D324-R342 IonicContact OD2-NH1 2.74Å | ||
| 325 | K | 92.8 | Very high | 94.6 | Very high | 148 Ų | 148 | 81.5 Ų | 81.5 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -6.7 | -172.5 | -67.2 | 179.7 | -176 | 173.6 | 0 | 114.9 | Q320 Y327 | Q320-K325 PolarHBondContact NE2-O 2.76Å; K325-Y327 VanDerWaalsContact C-N 3.3Å |
| 326 | E | 93.9 | Very high | 94.5 | Very high | 108 Ų | 108 | 80.9 Ų | 80.9 | 51% | 0.505 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.6 | 172.2 | -57.9 | -157.8 | 139.4 | 0 | 0 | 112.8 | D324 K344 F345 | D324-E326 PolarHBondContact O-N 3.27Å; D324-E326 PolarHBondContact OD1-N 3.09Å; E326-K344 HydrophobicContact CB-CG 4.38Å; E326-K344 WeakPolarHBondContact OE2-CE 3.38Å; E326-K344 IonicContact OE2-NZ 3.86Å; E326-K344 PolarHBondContact OE2-NZ 2.93Å; E326-F345 PolarHBondContact O-N 3.4Å |
| 327 | Y | 95.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 26% | 0.263 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 152.7 | -177.4 | -71 | -94.8 | 0 | 0 | 0 | 114.2 | D321 D324 K325 R342 K344 | D321-Y327 PolarHBondContact N-O 3.22Å; D324-Y327 HydrophobicContact CB-CD2 4.48Å; D324-Y327 VanDerWaalsContact CG-CD2 3.47Å; D324-Y327 PolarHBondContact O-N 3.19Å; D324-Y327 WeakPolarHBondContact OD2-CD2 3.33Å; D324-Y327 WeakPolarHBondContact OD2-CE2 3.48Å; K325-Y327 VanDerWaalsContact C-N 3.3Å; Y327-R342 VanDerWaalsContact CB-CZ 3.5Å; Y327-R342 HydrophobicContact CD1-CG 3.92Å; Y327-R342 VanDerWaalsContact CD2-NH1 3.29Å; Y327-R342 HydrophobicContact CG-CG 4.39Å; Y327-K344 HydrophobicContact CD1-CB 4.04Å; Y327-K344 HydrophobicContact CE1-CB 3.87Å; Y327-K344 HydrophobicContact CE1-CD 4.49Å; Y327-K344 HydrophobicContact CE1-CG 4.36Å; Y327-K344 HydrophobicContact CE2-CD 4.45Å |
| 328 | I | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.5 | 172.2 | -62.1 | 159.9 | 0 | 0 | 0 | 106.6 | V314 L319 C330 F334 R342 L343 F345 I348 | V314-I328 HydrophobicContact CG1-CD1 4.21Å; V314-I328 HydrophobicContact CG1-CG1 3.96Å; V314-I328 HydrophobicContact CG1-CG2 4.29Å; V314-I328 HydrophobicContact CG2-CD1 3.91Å; V314-I328 HydrophobicContact CG2-CG1 4.34Å; V314-I328 HydrophobicContact CG2-CG2 3.97Å; L319-I328 HydrophobicContact CB-CG2 3.86Å; L319-I328 CarbonylContact O-C 3.56Å; L319-I328 WeakPolarHBondContact O-CA 3.35Å; I328-C330 PolarHBondContact O-N 3.47Å; I328-F334 HydrophobicContact CG2-CD2 4.28Å; I328-F334 HydrophobicContact CG2-CE2 4.34Å; I328-R342 WeakPolarHBondContact O-CA 3.44Å; I328-R342 WeakPolarHBondContact O-CG 3.3Å; I328-L343 PolarHBondContact N-O 3.31Å; I328-L343 PolarHBondContact O-N 3.44Å; I328-F345 HydrophobicContact CD1-CD2 4.37Å; I328-I348 HydrophobicContact CD1-CD1 3.69Å |
| 329 | N | 95.5 | Very high | 94 | Very high | 63 Ų | 63 | 72.8 Ų | 72.8 | 34% | 0.337 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.2 | 172.2 | -64.1 | -31.6 | 0 | 0 | 0 | 106.9 | L319 D321 D331 R342 | L319-N329 PolarHBondContact O-N 2.87Å; D321-N329 PolarHBondContact OD2-ND2 3.4Å; D321-N329 PolarHBondContact OD2-OD1 3.46Å; N329-D331 PolarHBondContact O-N 3.47Å; N329-R342 WeakPolarHBondContact OD1-CG 3.46Å; N329-R342 PolarHBondContact OD1-NE 2.95Å |
| 330 | C | 94.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 72.5 Ų | 72.5 | 5% | 0.054 | 35% | 0.35 | C | S | . | . | trans | -70.9 | 128.6 | -169.9 | -66 | 0 | 0 | 0 | 0 | 110.7 | I328 F334 Q335 C340 P341 | I328-C330 PolarHBondContact O-N 3.47Å; C330-F334 HydrophobicContact CB-CB 3.71Å; C330-Q335 HydrophobicContact CB-CG 3.69Å; C330-Q335 PolarHBondContact O-NE2 2.93Å; C330-C340 VanDerWaalsContact CB-O 3.24Å; C330-C340 WeakPolarHBondContact CB-O 3.34Å; C330-C340 PolarHBondContact SG-O 2.94Å; C330-P341 WeakPolarHBondContact CB-O 3.46Å; C330-P341 PolarHBondContact N-O 3.01Å | ||
| 331 | D | 94.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 73.6 Ų | 73.6 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | trans | -75.2 | -178.9 | 169.7 | 70.8 | 21.6 | 0 | 0 | 0 | 112.2 | Y313 L319 N329 Y333 F334 Q335 | Y313-D331 WeakPolarHBondContact CE1-OD2 3.36Å; Y313-D331 PolarHBondContact OH-OD2 2.85Å; L319-D331 HydrophobicContact CD1-CB 4.23Å; L319-D331 WeakPolarHBondContact CD1-OD2 3.5Å; L319-D331 HydrophobicContact CD2-CB 3.95Å; N329-D331 PolarHBondContact O-N 3.47Å; D331-Y333 PolarHBondContact O-N 3.46Å; D331-Y333 VanDerWaalsContact O-N 3.11Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.39Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Y333 PolarHBondContact OD1-N 2.67Å; D331-F334 PolarHBondContact O-N 3.08Å; D331-F334 PolarHBondContact OD1-N 2.98Å; D331-Q335 VanDerWaalsContact O-CB 3.3Å; D331-Q335 WeakPolarHBondContact O-CB 3.37Å; D331-Q335 VanDerWaalsContact O-CG 3.23Å; D331-Q335 WeakPolarHBondContact O-CG 3.42Å; D331-Q335 PolarHBondContact O-N 3.17Å | ||
| 332 | K | 94.4 | Very high | 93.7 | Very high | 150 Ų | 150 | 76.9 Ų | 76.9 | 65% | 0.652 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56 | -27.9 | -179.9 | -172.2 | 174.9 | -178.7 | 177.8 | 0 | 113.7 | Q336 | K332-Q336 WeakPolarHBondContact O-CB 3.49Å; K332-Q336 VanDerWaalsContact O-CG 3.23Å; K332-Q336 WeakPolarHBondContact O-CG 3.47Å; K332-Q336 PolarHBondContact O-N 2.93Å |
| 333 | Y | 93.9 | Very high | 93.6 | Very high | 130 Ų | 130 | 72.5 Ų | 72.5 | 51% | 0.51 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -88.3 | -41.4 | -179.9 | -54.9 | -69.3 | 0 | 0 | 0 | 111.6 | L295 Y313 D331 Q336 I337 | L295-Y333 HydrophobicContact CD1-CD1 4.5Å; L295-Y333 HydrophobicContact CD1-CD2 4.2Å; L295-Y333 HydrophobicContact CD1-CG 3.88Å; Y313-Y333 WeakPolarHBondContact OH-CD2 3.42Å; D331-Y333 PolarHBondContact O-N 3.46Å; D331-Y333 VanDerWaalsContact O-N 3.11Å; D331-Y333 WeakPolarHBondContact OD1-CA 3.39Å; D331-Y333 WeakPolarHBondContact OD1-CB 3.39Å; D331-Y333 PolarHBondContact OD1-N 2.67Å; Y333-Q336 WeakPolarHBondContact O-CB 3.48Å; Y333-Q336 PolarHBondContact O-N 3.46Å; Y333-I337 WeakPolarHBondContact O-CD1 3.21Å; Y333-I337 WeakPolarHBondContact O-CG1 3.35Å; Y333-I337 PolarHBondContact O-N 3.22Å; Y333-I337 VanDerWaalsContact O-N 3.07Å |
| 334 | F | 93.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 173.1 | -95 | 42.1 | 0 | 0 | 0 | 111.8 | L295 L310 Y313 V314 I328 C330 D331 Q336 I337 F338 | L295-F334 HydrophobicContact CD2-CD1 3.73Å; L295-F334 HydrophobicContact CD2-CE1 3.78Å; L310-F334 HydrophobicContact CD2-CE1 4.04Å; L310-F334 HydrophobicContact CD2-CE2 4.37Å; L310-F334 HydrophobicContact CD2-CZ 3.59Å; Y313-F334 AromaticContact CD1-CD1 3.97Å; Y313-F334 HydrophobicContact CD1-CD1 3.97Å; Y313-F334 AromaticContact CD1-CE1 3.25Å; Y313-F334 HydrophobicContact CD1-CE1 3.25Å; Y313-F334 AromaticContact CD1-CZ 3.74Å; Y313-F334 HydrophobicContact CD1-CZ 3.74Å; Y313-F334 AromaticContact CE1-CD1 3.74Å; Y313-F334 HydrophobicContact CE1-CD1 3.74Å; Y313-F334 AromaticContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CE1 3.51Å; Y313-F334 HydrophobicContact CE1-CZ 4.34Å; Y313-F334 HydrophobicContact CG-CE1 4.08Å; V314-F334 HydrophobicContact CG2-CE2 3.56Å; V314-F334 HydrophobicContact CG2-CZ 3.74Å; I328-F334 HydrophobicContact CG2-CD2 4.28Å; I328-F334 HydrophobicContact CG2-CE2 4.34Å; C330-F334 HydrophobicContact CB-CB 3.71Å; D331-F334 PolarHBondContact O-N 3.08Å; D331-F334 PolarHBondContact OD1-N 2.98Å; F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.9Å; F334-I337 PolarHBondContact O-N 2.93Å; F334-F338 HydrophobicContact CB-CD2 4.39Å; F334-F338 HydrophobicContact CD2-CD2 4.09Å; F334-F338 HydrophobicContact CD2-CE2 4.02Å; F334-F338 HydrophobicContact CE2-CE2 4.08Å; F334-F338 HydrophobicContact CG-CD2 4.2Å; F334-F338 HydrophobicContact CG-CE2 4.24Å; F334-F338 HydrophobicContact CZ-CE2 4.35Å; F334-F338 PolarHBondContact O-N 3.19Å |
| 335 | Q | 93.5 | Very high | 93.4 | Very high | 89 Ų | 89 | 68 Ų | 68 | 42% | 0.416 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57 | -46.6 | 172.6 | -73.8 | 176.7 | 27 | 0 | 0 | 110.8 | C330 D331 I337 D339 | C330-Q335 HydrophobicContact CB-CG 3.69Å; C330-Q335 PolarHBondContact O-NE2 2.93Å; D331-Q335 VanDerWaalsContact O-CB 3.3Å; D331-Q335 WeakPolarHBondContact O-CB 3.37Å; D331-Q335 VanDerWaalsContact O-CG 3.23Å; D331-Q335 WeakPolarHBondContact O-CG 3.42Å; D331-Q335 PolarHBondContact O-N 3.17Å; Q335-I337 VanDerWaalsContact C-N 3.29Å; Q335-I337 PolarHBondContact O-N 3.44Å; Q335-D339 VanDerWaalsContact O-CA 3.29Å; Q335-D339 WeakPolarHBondContact O-CA 3.49Å; Q335-D339 PolarHBondContact O-N 2.77Å |
| 336 | Q | 93.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 64.5 Ų | 64.5 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 177.7 | -89.4 | -175.8 | 23.7 | 0 | 0 | 113.6 | R291 K332 Y333 F334 | R291-Q336 PolarHBondContact NH1-O 3.26Å; R291-Q336 PolarHBondContact NH2-O 3.25Å; K332-Q336 WeakPolarHBondContact O-CB 3.49Å; K332-Q336 VanDerWaalsContact O-CG 3.23Å; K332-Q336 WeakPolarHBondContact O-CG 3.47Å; K332-Q336 PolarHBondContact O-N 2.93Å; Y333-Q336 WeakPolarHBondContact O-CB 3.48Å; Y333-Q336 PolarHBondContact O-N 3.46Å; F334-Q336 VanDerWaalsContact C-N 3.31Å; F334-Q336 PolarHBondContact O-N 2.9Å |
| 337 | I | 92.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -89.2 | -41.4 | -174.9 | -72 | 158 | 0 | 0 | 0 | 112.9 | R291 L292 L295 Y333 F334 Q335 L355 | R291-I337 HydrophobicContact CB-CD1 4.49Å; R291-I337 HydrophobicContact CB-CG1 4.07Å; L292-I337 HydrophobicContact CB-CD1 4.27Å; L292-I337 HydrophobicContact CB-CG2 4.18Å; L292-I337 HydrophobicContact CD1-CD1 4.31Å; L292-I337 HydrophobicContact CD1-CG2 4.3Å; L295-I337 HydrophobicContact CB-CD1 4.19Å; L295-I337 HydrophobicContact CD2-CD1 3.67Å; Y333-I337 WeakPolarHBondContact O-CD1 3.21Å; Y333-I337 WeakPolarHBondContact O-CG1 3.35Å; Y333-I337 PolarHBondContact O-N 3.22Å; Y333-I337 VanDerWaalsContact O-N 3.07Å; F334-I337 PolarHBondContact O-N 2.93Å; Q335-I337 VanDerWaalsContact C-N 3.29Å; Q335-I337 PolarHBondContact O-N 3.44Å; I337-L355 HydrophobicContact CG2-CD1 3.53Å |
| 338 | F | 91.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -101.9 | -3.8 | -173.8 | -65.2 | -66.1 | 0 | 0 | 0 | 114.4 | L310 F334 C340 L343 R351 L355 | L310-F338 HydrophobicContact CD1-CZ 4.33Å; L310-F338 HydrophobicContact CD2-CE2 4.04Å; L310-F338 HydrophobicContact CD2-CZ 3.91Å; F334-F338 HydrophobicContact CB-CD2 4.39Å; F334-F338 HydrophobicContact CD2-CD2 4.09Å; F334-F338 HydrophobicContact CD2-CE2 4.02Å; F334-F338 HydrophobicContact CE2-CE2 4.08Å; F334-F338 HydrophobicContact CG-CD2 4.2Å; F334-F338 HydrophobicContact CG-CE2 4.24Å; F334-F338 HydrophobicContact CZ-CE2 4.35Å; F334-F338 PolarHBondContact O-N 3.19Å; F338-C340 VanDerWaalsContact C-N 3.28Å; F338-C340 PolarHBondContact O-N 3.43Å; F338-C340 PolarHBondContact O-SG 3.34Å; F338-L343 HydrophobicContact CD1-CD2 4.49Å; F338-L343 HydrophobicContact CD2-CD2 4.13Å; F338-L343 HydrophobicContact CE2-CD2 4.45Å; F338-L343 HydrophobicContact CG-CD2 4.15Å; F338-R351 HydrophobicContact CD1-CB 3.99Å; F338-R351 HydrophobicContact CE1-CB 4.29Å; F338-L355 HydrophobicContact CD1-CD1 3.96Å; F338-L355 HydrophobicContact CE1-CD1 3.69Å; F338-L355 HydrophobicContact CZ-CD1 4.48Å |
| 339 | D | 91.2 | Very high | 92.9 | Very high | 153 Ų | 153 | 61.6 Ų | 61.6 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 52.4 | 42.2 | 179.6 | -155.9 | 31 | 0 | 0 | 0 | 113.6 | Q335 | Q335-D339 VanDerWaalsContact O-CA 3.29Å; Q335-D339 WeakPolarHBondContact O-CA 3.49Å; Q335-D339 PolarHBondContact O-N 2.77Å |
| 340 | C | 91.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 65.5 Ų | 65.5 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | trans | -151.2 | 141.6 | 177.3 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | C330 F338 | C330-C340 VanDerWaalsContact CB-O 3.24Å; C330-C340 WeakPolarHBondContact CB-O 3.34Å; C330-C340 PolarHBondContact SG-O 2.94Å; F338-C340 VanDerWaalsContact C-N 3.28Å; F338-C340 PolarHBondContact O-N 3.43Å; F338-C340 PolarHBondContact O-SG 3.34Å | ||
| 341 | P | 92.4 | Very high | 92.5 | Very high | 98 Ų | 98 | 70.7 Ų | 70.7 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -76.4 | -21.9 | 177.4 | 31.4 | -35.6 | 0 | 0 | 0 | 113.3 | C330 | C330-P341 WeakPolarHBondContact CB-O 3.46Å; C330-P341 PolarHBondContact N-O 3.01Å |
| 342 | R | 93.6 | Very high | 92.4 | Very high | 92 Ų | 92 | 69.1 Ų | 69.1 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 138.7 | 179.5 | -158.6 | 178.6 | -162.7 | -128.2 | 10.4 | 108.8 | D321 D324 Y327 I328 N329 | D321-R342 VanDerWaalsContact CG-NH2 3.26Å; D321-R342 IonicContact OD1-NH2 2.66Å; D321-R342 IonicContact OD2-CZ 2.69Å; D321-R342 IonicContact OD2-NE 3.2Å; D321-R342 IonicContact OD2-NH2 3.78Å; D321-R342 PolarHBondContact OD2-NH2 3.07Å; D324-R342 IonicContact OD2-NH1 2.74Å; Y327-R342 VanDerWaalsContact CB-CZ 3.5Å; Y327-R342 HydrophobicContact CD1-CG 3.92Å; Y327-R342 VanDerWaalsContact CD2-NH1 3.29Å; Y327-R342 HydrophobicContact CG-CG 4.39Å; I328-R342 WeakPolarHBondContact O-CA 3.44Å; I328-R342 WeakPolarHBondContact O-CG 3.3Å; N329-R342 WeakPolarHBondContact OD1-CG 3.46Å; N329-R342 PolarHBondContact OD1-NE 2.95Å |
| 343 | L | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132.6 | -173.9 | 178.6 | 62.8 | 0 | 0 | 0 | 110.3 | I328 F338 E347 I348 R351 | I328-L343 PolarHBondContact N-O 3.31Å; I328-L343 PolarHBondContact O-N 3.44Å; F338-L343 HydrophobicContact CD1-CD2 4.49Å; F338-L343 HydrophobicContact CD2-CD2 4.13Å; F338-L343 HydrophobicContact CE2-CD2 4.45Å; F338-L343 HydrophobicContact CG-CD2 4.15Å; L343-E347 HydrophobicContact CD1-CB 3.77Å; L343-I348 HydrophobicContact CD2-CG1 3.97Å; L343-I348 HydrophobicContact CG-CG1 4.37Å; L343-R351 HydrophobicContact CD1-CG 4.02Å |
| 344 | K | 94.2 | Very high | 92.2 | Very high | 53 Ų | 53 | 65.9 Ų | 65.9 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.8 | 174.3 | -166 | 170.1 | 176 | 146.3 | 0 | 111 | E326 Y327 S346 E347 | E326-K344 HydrophobicContact CB-CG 4.38Å; E326-K344 WeakPolarHBondContact OE2-CE 3.38Å; E326-K344 IonicContact OE2-NZ 3.86Å; E326-K344 PolarHBondContact OE2-NZ 2.93Å; Y327-K344 HydrophobicContact CD1-CB 4.04Å; Y327-K344 HydrophobicContact CE1-CB 3.87Å; Y327-K344 HydrophobicContact CE1-CD 4.49Å; Y327-K344 HydrophobicContact CE1-CG 4.36Å; Y327-K344 HydrophobicContact CE2-CD 4.45Å; K344-S346 WeakPolarHBondContact CD-OG 3.28Å; K344-S346 WeakPolarHBondContact CG-OG 3.39Å; K344-S346 PolarHBondContact O-N 2.69Å; K344-S346 VanDerWaalsContact O-N 3.15Å; K344-E347 HydrophobicContact CB-CG 4.2Å; K344-E347 VanDerWaalsContact CB-OE1 3.29Å; K344-E347 WeakPolarHBondContact CB-OE1 3.27Å; K344-E347 WeakPolarHBondContact O-CB 3.39Å; K344-E347 PolarHBondContact O-N 3.21Å |
| 345 | F | 90.2 | Very high | 92.2 | Very high | 85 Ų | 85 | 67 Ų | 67 | 37% | 0.373 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -57.5 | -34.2 | -177.6 | -172.3 | -90.4 | 0 | 0 | 0 | 113.2 | W311 E326 I328 E347 I348 | W311-F345 AromaticContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CD2-CE2 3.97Å; W311-F345 HydrophobicContact CE3-CD2 4.17Å; W311-F345 AromaticContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CE3-CE2 3.79Å; W311-F345 HydrophobicContact CG-CE2 4.35Å; W311-F345 HydrophobicContact CZ3-CD2 4.29Å; W311-F345 HydrophobicContact CZ3-CE2 4.29Å; E326-F345 PolarHBondContact O-N 3.4Å; I328-F345 HydrophobicContact CD1-CD2 4.37Å; F345-E347 VanDerWaalsContact C-N 3.26Å; F345-E347 PolarHBondContact O-N 3.36Å; F345-I348 HydrophobicContact CB-CD1 4.45Å; F345-I348 HydrophobicContact CD2-CD1 3.54Å; F345-I348 HydrophobicContact CE2-CD1 3.93Å; F345-I348 HydrophobicContact CG-CD1 4.09Å; F345-I348 WeakPolarHBondContact O-CG1 3.36Å; F345-I348 PolarHBondContact O-N 3.49Å |
| 346 | S | 92.8 | Very high | 92.2 | Very high | 76 Ų | 76 | 63.9 Ų | 63.9 | 53% | 0.531 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -67.3 | -19.9 | 176.1 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | K344 P349 | K344-S346 WeakPolarHBondContact CD-OG 3.28Å; K344-S346 WeakPolarHBondContact CG-OG 3.39Å; K344-S346 PolarHBondContact O-N 2.69Å; K344-S346 VanDerWaalsContact O-N 3.15Å; S346-P349 WeakPolarHBondContact O-CD 3.4Å |
| 347 | E | 92.1 | Very high | 92.3 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -85.9 | -23.2 | 178.2 | -68.2 | 173.2 | -128.9 | 0 | 0 | 112.8 | L343 K344 F345 P349 Q350 R351 | L343-E347 HydrophobicContact CD1-CB 3.77Å; K344-E347 HydrophobicContact CB-CG 4.2Å; K344-E347 VanDerWaalsContact CB-OE1 3.29Å; K344-E347 WeakPolarHBondContact CB-OE1 3.27Å; K344-E347 WeakPolarHBondContact O-CB 3.39Å; K344-E347 PolarHBondContact O-N 3.21Å; F345-E347 VanDerWaalsContact C-N 3.26Å; F345-E347 PolarHBondContact O-N 3.36Å; E347-P349 VanDerWaalsContact C-CD 3.44Å; E347-P349 VanDerWaalsContact C-N 3.33Å; E347-Q350 PolarHBondContact O-N 2.87Å; E347-R351 HydrophobicContact CB-CG 4.36Å; E347-R351 PolarHBondContact O-N 2.99Å; E347-R351 IonicContact OE2-NE 3.07Å; E347-R351 IonicContact OE2-NH2 3.86Å |
| 348 | I | 90.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -49.3 | -47.9 | -178.2 | -57.1 | 171.2 | 0 | 0 | 0 | 111.7 | L310 I328 L343 F345 Q350 R351 L352 | L310-I348 HydrophobicContact CD1-CG2 3.95Å; I328-I348 HydrophobicContact CD1-CD1 3.69Å; L343-I348 HydrophobicContact CD2-CG1 3.97Å; L343-I348 HydrophobicContact CG-CG1 4.37Å; F345-I348 HydrophobicContact CB-CD1 4.45Å; F345-I348 HydrophobicContact CD2-CD1 3.54Å; F345-I348 HydrophobicContact CE2-CD1 3.93Å; F345-I348 HydrophobicContact CG-CD1 4.09Å; F345-I348 WeakPolarHBondContact O-CG1 3.36Å; F345-I348 PolarHBondContact O-N 3.49Å; I348-Q350 VanDerWaalsContact C-N 3.29Å; I348-Q350 PolarHBondContact O-N 2.95Å; I348-R351 PolarHBondContact O-N 3.28Å; I348-L352 WeakPolarHBondContact O-CB 3.41Å; I348-L352 PolarHBondContact O-N 3.07Å |
| 349 | P | 91.2 | Very high | 92.4 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 31% | 0.312 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | -179.4 | -22.3 | 35 | 0 | 0 | 0 | 112.5 | R303 I307 S346 E347 T353 | R303-P349 PolarHBondContact NH2-O 3.01Å; I307-P349 HydrophobicContact CD1-CG 4.44Å; S346-P349 WeakPolarHBondContact O-CD 3.4Å; E347-P349 VanDerWaalsContact C-CD 3.44Å; E347-P349 VanDerWaalsContact C-N 3.33Å; P349-T353 PolarHBondContact O-OG1 2.94Å; P349-T353 VanDerWaalsContact O-OG1 3.09Å |
| 350 | Q | 91.5 | Very high | 92.5 | Very high | 146 Ų | 146 | 64 Ų | 64 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -71 | -54.9 | 179.4 | -64.7 | -176.9 | -2.1 | 0 | 0 | 110.6 | E347 I348 L352 T353 | E347-Q350 PolarHBondContact O-N 2.87Å; I348-Q350 VanDerWaalsContact C-N 3.29Å; I348-Q350 PolarHBondContact O-N 2.95Å; Q350-L352 VanDerWaalsContact C-N 3.27Å; Q350-L352 PolarHBondContact O-N 3.32Å; Q350-T353 WeakPolarHBondContact O-CB 3.5Å; Q350-T353 PolarHBondContact O-N 3.26Å; Q350-T353 PolarHBondContact O-OG1 3.12Å |
| 351 | R | 90.9 | Very high | 92.6 | Very high | 116 Ų | 116 | 65.2 Ų | 65.2 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -55.6 | -40.4 | 178.6 | -66.6 | -71.2 | -174.8 | 160.5 | -0.6 | 112.5 | F338 L343 E347 I348 T353 | F338-R351 HydrophobicContact CD1-CB 3.99Å; F338-R351 HydrophobicContact CE1-CB 4.29Å; L343-R351 HydrophobicContact CD1-CG 4.02Å; E347-R351 HydrophobicContact CB-CG 4.36Å; E347-R351 PolarHBondContact O-N 2.99Å; E347-R351 IonicContact OE2-NE 3.07Å; E347-R351 IonicContact OE2-NH2 3.86Å; I348-R351 PolarHBondContact O-N 3.28Å; R351-T353 PolarHBondContact O-N 3.38Å |
| 352 | L | 92.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.9 | -26.2 | 177.5 | -179.1 | 61.6 | 0 | 0 | 0 | 112.9 | L292 R303 I306 I307 L310 I348 Q350 N354 L355 L356 | L292-L352 HydrophobicContact CD2-CD1 3.65Å; R303-L352 HydrophobicContact CG-CD2 4.44Å; I306-L352 HydrophobicContact CG2-CD1 3.95Å; I306-L352 HydrophobicContact CG2-CD2 3.79Å; I306-L352 HydrophobicContact CG2-CG 4.48Å; I307-L352 HydrophobicContact CD1-CD2 4.32Å; I307-L352 HydrophobicContact CG1-CD2 3.73Å; L310-L352 HydrophobicContact CD1-CD1 4.25Å; L310-L352 HydrophobicContact CD1-CD2 4.27Å; I348-L352 WeakPolarHBondContact O-CB 3.41Å; I348-L352 PolarHBondContact O-N 3.07Å; Q350-L352 VanDerWaalsContact C-N 3.27Å; Q350-L352 PolarHBondContact O-N 3.32Å; L352-N354 VanDerWaalsContact C-N 3.25Å; L352-N354 PolarHBondContact O-N 3.08Å; L352-L355 HydrophobicContact CD1-CB 4.38Å; L352-L355 CarbonylContact O-C 3.43Å; L352-L355 WeakPolarHBondContact O-CA 3.39Å; L352-L355 PolarHBondContact O-N 2.86Å; L352-L356 HydrophobicContact CD1-CD2 3.98Å; L352-L356 HydrophobicContact CD1-CG 4.13Å; L352-L356 HydrophobicContact CD2-CD1 4.26Å; L352-L356 HydrophobicContact CG-CD1 3.95Å; L352-L356 HydrophobicContact CG-CD2 4.16Å; L352-L356 HydrophobicContact CG-CG 3.9Å; L352-L356 WeakPolarHBondContact O-CG 3.15Å; L352-L356 PolarHBondContact O-N 3.03Å |
| 353 | T | 91.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 62.6 Ų | 62.6 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -56.1 | -38.9 | -175.9 | -45 | 0 | 0 | 0 | 0 | 112.5 | R303 P349 Q350 R351 L355 L356 | R303-T353 PolarHBondContact NH2-OG1 2.9Å; P349-T353 PolarHBondContact O-OG1 2.94Å; P349-T353 VanDerWaalsContact O-OG1 3.09Å; Q350-T353 WeakPolarHBondContact O-CB 3.5Å; Q350-T353 PolarHBondContact O-N 3.26Å; Q350-T353 PolarHBondContact O-OG1 3.12Å; R351-T353 PolarHBondContact O-N 3.38Å; T353-L355 PolarHBondContact O-N 2.86Å; T353-L356 PolarHBondContact O-N 2.95Å |
| 354 | N | 90.4 | Very high | 92.9 | Very high | 143 Ų | 143 | 63 Ų | 63 | 77% | 0.765 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -78.6 | -6.7 | -179.5 | -62.3 | 3.3 | 0 | 0 | 0 | 113.3 | L352 | L352-N354 VanDerWaalsContact C-N 3.25Å; L352-N354 PolarHBondContact O-N 3.08Å |
| 355 | L | 92.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.141 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -109.7 | 5.6 | 179.7 | -54.3 | 172 | 0 | 0 | 0 | 112.1 | D289 L292 I337 F338 L352 T353 | D289-L355 HydrophobicContact CB-CB 4.28Å; D289-L355 HydrophobicContact CB-CD2 4.1Å; D289-L355 PolarHBondContact N-O 2.89Å; D289-L355 VanDerWaalsContact N-O 3.1Å; L292-L355 HydrophobicContact CD2-CB 4.04Å; L292-L355 HydrophobicContact CD2-CD1 4.09Å; I337-L355 HydrophobicContact CG2-CD1 3.53Å; F338-L355 HydrophobicContact CD1-CD1 3.96Å; F338-L355 HydrophobicContact CE1-CD1 3.69Å; F338-L355 HydrophobicContact CZ-CD1 4.48Å; L352-L355 HydrophobicContact CD1-CB 4.38Å; L352-L355 CarbonylContact O-C 3.43Å; L352-L355 WeakPolarHBondContact O-CA 3.39Å; L352-L355 PolarHBondContact O-N 2.86Å; T353-L355 PolarHBondContact O-N 2.86Å |
| 356 | L | 95.1 | Very high | 93 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 100.9 | 175.9 | -65.7 | -176 | 0 | 0 | 0 | 110 | F286 L288 R303 I306 L352 T353 | F286-L356 HydrophobicContact CB-CB 3.96Å; F286-L356 HydrophobicContact CB-CD1 4.47Å; F286-L356 HydrophobicContact CB-CD2 3.91Å; F286-L356 HydrophobicContact CB-CG 4.31Å; F286-L356 HydrophobicContact CD1-CB 3.92Å; F286-L356 HydrophobicContact CD1-CD1 4.5Å; F286-L356 HydrophobicContact CD2-CD1 4.33Å; F286-L356 HydrophobicContact CG-CB 4.05Å; F286-L356 HydrophobicContact CG-CD1 4.18Å; F286-L356 HydrophobicContact CG-CD2 4.5Å; F286-L356 HydrophobicContact CG-CG 4.46Å; L288-L356 HydrophobicContact CD2-CD2 3.84Å; R303-L356 HydrophobicContact CB-CD1 4.33Å; R303-L356 HydrophobicContact CG-CD1 3.91Å; I306-L356 HydrophobicContact CD1-CD2 3.65Å; I306-L356 HydrophobicContact CG2-CD2 4.48Å; L352-L356 HydrophobicContact CD1-CD2 3.98Å; L352-L356 HydrophobicContact CD1-CG 4.13Å; L352-L356 HydrophobicContact CD2-CD1 4.26Å; L352-L356 HydrophobicContact CG-CD1 3.95Å; L352-L356 HydrophobicContact CG-CD2 4.16Å; L352-L356 HydrophobicContact CG-CG 3.9Å; L352-L356 WeakPolarHBondContact O-CG 3.15Å; L352-L356 PolarHBondContact O-N 3.03Å; T353-L356 PolarHBondContact O-N 2.95Å |
| 357 | L | 94.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 63.4 Ų | 63.4 | 41% | 0.408 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 158.1 | 175.3 | -59.1 | 176.9 | 0 | 0 | 0 | 110.3 | F286 K287 | F286-L357 CarbonylContact C-O 3.54Å; F286-L357 WeakPolarHBondContact CA-O 3.4Å; K287-L357 HydrophobicContact CB-CB 4.22Å; K287-L357 HydrophobicContact CG-CB 4.39Å; K287-L357 PolarHBondContact N-O 3.02Å; K287-L357 PolarHBondContact O-N 3.28Å |
| 358 | P | 92.8 | Very high | 92.8 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 62% | 0.623 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 145.9 | 164.9 | 26.3 | -35 | 0 | 0 | 0 | 110.4 | K287 | K287-P358 WeakPolarHBondContact CB-O 3.46Š|
| 359 | P | 93.8 | Very high | 92.6 | Very high | 27 Ų | 27 | 60.8 Ų | 60.8 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 145.9 | 169.1 | -24.7 | 35.4 | 0 | 0 | 0 | 111.5 | Y281 Q285 T300 | Y281-P359 HydrophobicContact CD2-CB 4.39Å; Y281-P359 HydrophobicContact CD2-CG 4Å; Y281-P359 HydrophobicContact CE2-CB 3.87Å; Y281-P359 HydrophobicContact CE2-CG 3.97Å; Q285-P359 WeakPolarHBondContact O-CD 3.37Å; Q285-P359 WeakPolarHBondContact O-CG 3.37Å; T300-P359 HydrophobicContact CG2-CB 4.21Å; T300-P359 HydrophobicContact CG2-CG 4.24Å |
| 360 | D | 93.1 | Very high | 92.3 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 43% | 0.433 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 142.4 | 174.6 | -66.2 | -34.4 | 0 | 0 | 0 | 110.8 | K287 | K287-D360 WeakPolarHBondContact CD-OD1 3.26Å; K287-D360 WeakPolarHBondContact CD-OD2 3.46Å; K287-D360 WeakPolarHBondContact CE-OD2 3.37Å; K287-D360 IonicContact NZ-OD1 2.83Å; K287-D360 PolarHBondContact NZ-OD1 2.88Å; K287-D360 IonicContact NZ-OD2 2.68Å; K287-D360 PolarHBondContact NZ-OD2 3.48Å |
| 361 | P | 94.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 57 Ų | 57 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 149.6 | 169.5 | 29.8 | -34.8 | 0 | 0 | 0 | 110.3 | L276 M278 V363 | L276-P361 HydrophobicContact CB-CB 4.13Å; L276-P361 HydrophobicContact CD2-CG 4.2Å; M278-P361 HydrophobicContact CG-CB 4.05Å; M278-P361 HydrophobicContact SD-CB 4.38Å; P361-V363 HydrophobicContact CG-CG2 4.25Å; P361-V363 PolarHBondContact O-N 2.82Å |
| 362 | I | 94.4 | Very high | 91 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 113.6 | 167.2 | -62.8 | 172.4 | 0 | 0 | 0 | 107.1 | L277 L279 I364 I383 | L277-I362 HydrophobicContact CB-CB 4.2Å; L277-I362 PolarHBondContact N-O 3.05Å; L277-I362 PolarHBondContact O-N 2.8Å; L279-I362 HydrophobicContact CD1-CD1 3.76Å; L279-I362 HydrophobicContact CG-CD1 4.21Å; I362-I364 HydrophobicContact CG2-CG1 4.38Å; I362-I383 HydrophobicContact CB-CD1 4.49Å; I362-I383 HydrophobicContact CD1-CD1 3.85Å; I362-I383 HydrophobicContact CD1-CG1 4.2Å; I362-I383 HydrophobicContact CD1-CG2 3.54Å; I362-I383 HydrophobicContact CG2-CD1 3.95Å |
| 363 | V | 95.7 | Very high | 90.2 | Very high | 80 Ų | 80 | 63.2 Ų | 63.2 | 49% | 0.485 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.4 | -177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | T274 L275 L276 P361 | T274-V363 HydrophobicContact CG2-CG1 3.54Å; L275-V363 CarbonylContact O-C 3.47Å; L275-V363 WeakPolarHBondContact O-CA 3.47Å; L276-V363 HydrophobicContact CD2-CG2 4.5Å; P361-V363 HydrophobicContact CG-CG2 4.25Å; P361-V363 PolarHBondContact O-N 2.82Å |
| 364 | I | 95.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 118.3 | 175.1 | -56.3 | 178 | 0 | 0 | 0 | 108.7 | I184 L275 L277 I362 Y381 | I184-I364 HydrophobicContact CD1-CD1 4.37Å; I184-I364 HydrophobicContact CD1-CG2 3.9Å; L275-I364 HydrophobicContact CB-CB 4.37Å; L275-I364 WeakPolarHBondContact CD1-O 3.43Å; L275-I364 PolarHBondContact N-O 2.98Å; L275-I364 PolarHBondContact O-N 3.18Å; L277-I364 HydrophobicContact CD1-CD1 3.81Å; L277-I364 HydrophobicContact CD1-CG1 4.48Å; I362-I364 HydrophobicContact CG2-CG1 4.38Å; I364-Y381 HydrophobicContact CD1-CD1 4.36Å; I364-Y381 HydrophobicContact CD1-CD2 4.15Å; I364-Y381 HydrophobicContact CD1-CG 3.99Å; I364-Y381 HydrophobicContact CG2-CD1 4.36Å; I364-Y381 HydrophobicContact CG2-CD2 4.19Å; I364-Y381 HydrophobicContact CG2-CE1 3.87Å; I364-Y381 HydrophobicContact CG2-CE2 3.68Å |
| 365 | N | 94.3 | Very high | 88 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.3 | 175.4 | -59.4 | -1.4 | 0 | 0 | 0 | 109.1 | ||
| 366 | H | 92.1 | Very high | 86.7 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 11% | 0.111 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 162.4 | 179.6 | -179.6 | 68 | 0 | 0 | 0 | 110.2 | C273 L275 | C273-H366 PolarHBondContact N-O 3.36Å; C273-H366 PolarHBondContact O-N 3.46Å; C273-H366 VanDerWaalsContact O-O 3.11Å; L275-H366 HydrophobicContact CD1-CB 3.97Å |
| 367 | V | 91.4 | Very high | 85.9 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | R272 S369 | R272-V367 HydrophobicContact CG-CG2 4.35Å; V367-S369 PolarHBondContact O-N 2.9Å; V367-S369 VanDerWaalsContact O-N 3.08Å |
| 368 | I | 90.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 94.9 | 173.7 | -56.2 | 173.2 | 0 | 0 | 0 | 106.3 | N186 W205 L207 L235 S270 V271 C273 | N186-I368 HydrophobicContact CB-CG2 4.07Å; W205-I368 HydrophobicContact CB-CG2 3.77Å; W205-I368 HydrophobicContact CD2-CD1 4.01Å; W205-I368 HydrophobicContact CD2-CG2 3.91Å; W205-I368 HydrophobicContact CE3-CD1 3.78Å; W205-I368 HydrophobicContact CE3-CG2 4.25Å; W205-I368 HydrophobicContact CG-CG2 3.73Å; W205-I368 HydrophobicContact CH2-CD1 3.75Å; W205-I368 HydrophobicContact CZ2-CD1 3.96Å; W205-I368 HydrophobicContact CZ3-CD1 3.67Å; L207-I368 HydrophobicContact CB-CD1 4.24Å; L207-I368 HydrophobicContact CD1-CG1 4.37Å; L207-I368 HydrophobicContact CD2-CD1 4.22Å; L235-I368 HydrophobicContact CD2-CD1 4.33Å; S270-I368 CarbonylContact C-O 3.5Å; S270-I368 WeakPolarHBondContact CA-O 3.33Å; S270-I368 WeakPolarHBondContact CB-O 3.48Å; V271-I368 HydrophobicContact CB-CB 4.3Å; V271-I368 HydrophobicContact CB-CD1 4.39Å; V271-I368 PolarHBondContact N-O 3.02Å; V271-I368 WeakPolarHBondContact O-CB 3.44Å; V271-I368 PolarHBondContact O-N 3.29Å; C273-I368 HydrophobicContact CB-CD1 4.44Å |
| 369 | S | 86.6 | Confident | 85.4 | Confident | 12 Ų | 12 | 67 Ų | 67 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | trans | -78.3 | 143.1 | 173.7 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | N186 V367 D371 | N186-S369 PolarHBondContact ND2-N 2.97Å; N186-S369 PolarHBondContact ND2-O 3.22Å; V367-S369 PolarHBondContact O-N 2.9Å; V367-S369 VanDerWaalsContact O-N 3.08Å; S369-D371 WeakPolarHBondContact OG-CB 3.5Å; S369-D371 PolarHBondContact OG-N 2.89Å; S369-D371 PolarHBondContact OG-OD2 3.42Å; S369-D371 VanDerWaalsContact OG-OD2 3.04Å | ||
| 370 | V | 84.9 | Confident | 85.3 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | trans | -87.8 | -11.5 | 168.8 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | F188 S270 P372 | F188-V370 HydrophobicContact CB-CB 4.45Å; F188-V370 HydrophobicContact CD1-CB 3.9Å; F188-V370 HydrophobicContact CD1-CG1 4.5Å; F188-V370 WeakPolarHBondContact CD1-O 3.48Å; F188-V370 HydrophobicContact CD2-CB 4.02Å; F188-V370 HydrophobicContact CD2-CG1 3.71Å; F188-V370 HydrophobicContact CE1-CB 4.07Å; F188-V370 HydrophobicContact CE2-CB 4.21Å; F188-V370 HydrophobicContact CE2-CG1 3.88Å; F188-V370 HydrophobicContact CG-CB 3.85Å; F188-V370 HydrophobicContact CG-CG1 4.03Å; F188-V370 HydrophobicContact CZ-CB 4.22Å; F188-V370 HydrophobicContact CZ-CG1 4.33Å; S270-V370 PolarHBondContact OG-N 3.2Å; V370-P372 WeakPolarHBondContact O-CD 3.34Å | ||
| 371 | D | 82.3 | Confident | 85.4 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | trans | -61.6 | 125.6 | -176.4 | -70.3 | -55.7 | 0 | 0 | 0 | 112.2 | S369 N373 D374 | S369-D371 WeakPolarHBondContact OG-CB 3.5Å; S369-D371 PolarHBondContact OG-N 2.89Å; S369-D371 PolarHBondContact OG-OD2 3.42Å; S369-D371 VanDerWaalsContact OG-OD2 3.04Å; D371-N373 PolarHBondContact O-N 2.94Å; D371-D374 HydrophobicContact CB-CB 4.37Å; D371-D374 PolarHBondContact O-N 3.37Å | ||
| 372 | P | 73.3 | Confident | 85.4 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 64% | 0.643 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -26.5 | 178.8 | -29 | 36.4 | 0 | 0 | 0 | 114.9 | V370 | V370-P372 WeakPolarHBondContact O-CD 3.34Š|
| 373 | N | 74.2 | Confident | 85.4 | Confident | 147 Ų | 147 | 68.6 Ų | 68.6 | 79% | 0.786 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -24 | 177.9 | -71 | -30.8 | 0 | 0 | 0 | 113.5 | D371 | D371-N373 PolarHBondContact O-N 2.94Š|
| 374 | D | 71.6 | Confident | 85.2 | Confident | 46 Ų | 46 | 68.6 Ų | 68.6 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -13.8 | -173.7 | -85.7 | 31.8 | 0 | 0 | 0 | 113.4 | D371 K376 K377 | D371-D374 HydrophobicContact CB-CB 4.37Å; D371-D374 PolarHBondContact O-N 3.37Å; D374-K376 PolarHBondContact O-N 2.95Å; D374-K377 HydrophobicContact CB-CD 4.2Å; D374-K377 WeakPolarHBondContact O-CB 3.32Å; D374-K377 PolarHBondContact O-N 3.49Å; D374-K377 WeakPolarHBondContact OD1-CE 3.24Å; D374-K377 IonicContact OD1-NZ 3.91Å; D374-K377 PolarHBondContact OD1-NZ 3.13Å; D374-K377 WeakPolarHBondContact OD2-CD 3.47Å; D374-K377 IonicContact OD2-NZ 3.91Å; D374-K377 PolarHBondContact OD2-NZ 2.9Å |
| 375 | Q | 65 | Low | 85 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -4.5 | 179.6 | -54.7 | -172.7 | -0.7 | 0 | 0 | 115.6 | F188 | F188-Q375 PolarHBondContact O-NE2 3.26Š|
| 376 | K | 66.3 | Low | 84.8 | Confident | 194 Ų | 194 | 65.6 Ų | 65.6 | 84% | 0.843 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 1.7 | 177.6 | -64.4 | 179.1 | -177.5 | 172.3 | 0 | 113.5 | D374 T378 | D374-K376 PolarHBondContact O-N 2.95Å; K376-T378 PolarHBondContact O-N 3.26Å |
| 377 | K | 77.6 | Confident | 84.6 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | trans | -89.7 | 80.2 | -177.5 | -69.1 | 175.7 | 175.8 | 167.1 | 0 | 112 | D374 A379 | D374-K377 HydrophobicContact CB-CD 4.2Å; D374-K377 WeakPolarHBondContact O-CB 3.32Å; D374-K377 PolarHBondContact O-N 3.49Å; D374-K377 WeakPolarHBondContact OD1-CE 3.24Å; D374-K377 IonicContact OD1-NZ 3.91Å; D374-K377 PolarHBondContact OD1-NZ 3.13Å; D374-K377 WeakPolarHBondContact OD2-CD 3.47Å; D374-K377 IonicContact OD2-NZ 3.91Å; D374-K377 PolarHBondContact OD2-NZ 2.9Å; K377-A379 PolarHBondContact O-N 2.97Å; K377-A379 VanDerWaalsContact O-N 3.17Å | ||
| 378 | T | 85.8 | Confident | 84.4 | Confident | 66 Ų | 66 | 65 Ų | 65 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | trans | -69.8 | 108.9 | 171.5 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | Y183 I184 K376 | Y183-T378 HydrophobicContact CD1-CG2 3.89Å; Y183-T378 HydrophobicContact CG-CG2 4.33Å; I184-T378 CarbonylContact O-C 3.47Å; I184-T378 WeakPolarHBondContact O-CA 3.46Å; K376-T378 PolarHBondContact O-N 3.26Å | ||
| 379 | A | 90.8 | Very high | 84.2 | Confident | 26 Ų | 26 | 67.3 Ų | 67.3 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 134.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I184 K377 Y381 | I184-A379 HydrophobicContact CB-CB 4.44Å; I184-A379 PolarHBondContact N-O 3.47Å; I184-A379 PolarHBondContact O-N 3.35Å; K377-A379 PolarHBondContact O-N 2.97Å; K377-A379 VanDerWaalsContact O-N 3.17Å; A379-Y381 HydrophobicContact CB-CE2 3.73Å |
| 380 | C | 93.1 | Very high | 84.1 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 48% | 0.48 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.3 | -172.8 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | L182 | L182-C380 WeakPolarHBondContact O-CA 3.33Å |
| 381 | Y | 94.5 | Very high | 84.2 | Confident | 86 Ų | 86 | 71.8 Ų | 71.8 | 34% | 0.337 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.2 | -177.9 | -59.7 | -91.6 | 0 | 0 | 0 | 111.5 | R181 L182 I184 I364 A379 | R181-Y381 CarbonylContact C-O 3.57Å; R181-Y381 WeakPolarHBondContact CA-O 3.34Å; L182-Y381 PolarHBondContact N-O 3.15Å; L182-Y381 PolarHBondContact O-N 3.06Å; L182-Y381 VanDerWaalsContact O-N 3.07Å; I184-Y381 HydrophobicContact CD1-CD2 4.06Å; I184-Y381 HydrophobicContact CD1-CE2 3.9Å; I364-Y381 HydrophobicContact CD1-CD1 4.36Å; I364-Y381 HydrophobicContact CD1-CD2 4.15Å; I364-Y381 HydrophobicContact CD1-CG 3.99Å; I364-Y381 HydrophobicContact CG2-CD1 4.36Å; I364-Y381 HydrophobicContact CG2-CD2 4.19Å; I364-Y381 HydrophobicContact CG2-CE1 3.87Å; I364-Y381 HydrophobicContact CG2-CE2 3.68Å; A379-Y381 HydrophobicContact CB-CE2 3.73Å |
| 382 | D | 94.3 | Very high | 84.4 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 103.7 | -177.7 | -78.3 | -15.3 | 0 | 0 | 0 | 112.3 | K179 R181 | K179-D382 HydrophobicContact CD-CB 4.27Å; R181-D382 WeakPolarHBondContact CA-OD1 3.46Å; R181-D382 VanDerWaalsContact CB-OD1 3.27Å; R181-D382 WeakPolarHBondContact CB-OD1 3.34Å; R181-D382 WeakPolarHBondContact CG-OD1 3.28Å; R181-D382 IonicContact CZ-OD1 2.7Å; R181-D382 IonicContact CZ-OD2 2.94Å; R181-D382 IonicContact NE-OD1 2.77Å; R181-D382 PolarHBondContact NE-OD1 3.37Å; R181-D382 IonicContact NE-OD2 3.05Å; R181-D382 IonicContact NH2-OD1 3.75Å; R181-D382 PolarHBondContact NH2-OD1 3.02Å; R181-D382 IonicContact NH2-OD2 3.26Å; R181-D382 PolarHBondContact NH2-OD2 3.24Å |
| 383 | I | 93.6 | Very high | 85 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.072 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137 | 179.1 | -64.2 | 179.6 | 0 | 0 | 0 | 110.5 | K179 L180 L182 L277 L279 I362 V385 | K179-I383 CarbonylContact C-O 3.54Å; K179-I383 WeakPolarHBondContact CA-O 3.24Å; L180-I383 PolarHBondContact N-O 2.99Å; L180-I383 PolarHBondContact O-N 3.41Å; L182-I383 HydrophobicContact CD1-CB 4.25Å; L182-I383 HydrophobicContact CD1-CD1 3.56Å; L182-I383 HydrophobicContact CD1-CG1 3.88Å; L182-I383 HydrophobicContact CD2-CD1 4.14Å; L277-I383 HydrophobicContact CD1-CD1 4.14Å; L279-I383 HydrophobicContact CD1-CG2 4.24Å; L279-I383 HydrophobicContact CD2-CG2 4.45Å; I362-I383 HydrophobicContact CB-CD1 4.49Å; I362-I383 HydrophobicContact CD1-CD1 3.85Å; I362-I383 HydrophobicContact CD1-CG1 4.2Å; I362-I383 HydrophobicContact CD1-CG2 3.54Å; I362-I383 HydrophobicContact CG2-CD1 3.95Å; I383-V385 HydrophobicContact CG2-CG1 4.06Å; I383-V385 PolarHBondContact O-N 3.02Å |
| 384 | D | 92.1 | Very high | 85.7 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.1 | 169.2 | -75.2 | -62.5 | 0 | 0 | 0 | 111.1 | R178 K179 | R178-D384 WeakPolarHBondContact O-CA 3.33Å; K179-D384 WeakPolarHBondContact CD-OD1 3.4Å; K179-D384 VanDerWaalsContact CE-OD1 3.28Å; K179-D384 WeakPolarHBondContact CE-OD1 3.25Å; K179-D384 IonicContact NZ-OD1 2.65Å; K179-D384 PolarHBondContact NZ-OD1 3.1Å; K179-D384 IonicContact NZ-OD2 2.65Å; K179-D384 PolarHBondContact NZ-OD2 2.7Å |
| 385 | V | 91.6 | Very high | 86.6 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 151.5 | 176.9 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | K177 R178 L180 L213 F227 L279 I383 V387 | K177-V385 WeakPolarHBondContact CA-O 3.47Å; R178-V385 PolarHBondContact N-O 2.96Å; R178-V385 PolarHBondContact O-N 3.05Å; L180-V385 HydrophobicContact CB-CB 4.47Å; L180-V385 HydrophobicContact CB-CG1 3.74Å; L180-V385 HydrophobicContact CB-CG2 3.84Å; L180-V385 HydrophobicContact CD2-CG1 3.89Å; L180-V385 HydrophobicContact CG-CG1 4.48Å; L213-V385 HydrophobicContact CD1-CG2 3.69Å; F227-V385 HydrophobicContact CB-CG1 4.33Å; F227-V385 HydrophobicContact CD1-CB 3.79Å; F227-V385 HydrophobicContact CD1-CG1 4.13Å; F227-V385 HydrophobicContact CD1-CG2 3.82Å; F227-V385 HydrophobicContact CE1-CB 4.19Å; F227-V385 HydrophobicContact CE1-CG2 3.74Å; F227-V385 HydrophobicContact CG-CB 4.49Å; F227-V385 HydrophobicContact CG-CG1 4.36Å; F227-V385 HydrophobicContact CZ-CG2 4.43Å; L279-V385 HydrophobicContact CD2-CG1 3.94Å; I383-V385 HydrophobicContact CG2-CG1 4.06Å; I383-V385 PolarHBondContact O-N 3.02Å; V385-V387 HydrophobicContact CG2-CG2 4.37Å |
| 386 | E | 89.1 | Confident | 87.7 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.1 | 178.1 | -73.3 | 179.6 | -173.2 | 0 | 0 | 111.3 | K175 K177 Q285 | K175-E386 HydrophobicContact CB-CB 4.24Å; K177-E386 HydrophobicContact CG-CG 4.26Å; Q285-E386 PolarHBondContact NE2-OE1 3.42Å; Q285-E386 PolarHBondContact NE2-OE2 3.48Å |
| 387 | V | 88.9 | Confident | 88.8 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.1 | 179.5 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | K175 Q176 R178 L213 F227 V385 | K175-V387 CarbonylContact C-O 3.14Å; K175-V387 VanDerWaalsContact CA-O 3.25Å; K175-V387 WeakPolarHBondContact CA-O 3.49Å; Q176-V387 HydrophobicContact CG-CB 4.28Å; Q176-V387 PolarHBondContact N-O 2.94Å; Q176-V387 PolarHBondContact O-N 3.23Å; R178-V387 HydrophobicContact CB-CG2 3.99Å; R178-V387 HydrophobicContact CG-CG2 4.07Å; L213-V387 HydrophobicContact CD1-CG2 4.21Å; L213-V387 HydrophobicContact CD2-CG2 4.05Å; F227-V387 HydrophobicContact CE1-CG2 4.21Å; V385-V387 HydrophobicContact CG2-CG2 4.37Å |
| 388 | E | 86.2 | Confident | 89.4 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.4 | 171.9 | -58.3 | -117.5 | 109.8 | 0 | 0 | 110.8 | K175 Q176 P390 K392 | K175-E388 IonicContact NZ-OE1 2.68Å; K175-E388 PolarHBondContact NZ-OE1 2.72Å; Q176-E388 PolarHBondContact NE2-O 3.22Å; E388-P390 WeakPolarHBondContact O-CD 3.41Å; E388-K392 IonicContact OE1-NZ 3.61Å; E388-K392 PolarHBondContact OE1-NZ 3.41Å; E388-K392 WeakPolarHBondContact OE2-CD 3.04Å; E388-K392 IonicContact OE2-NZ 2.82Å; E388-K392 PolarHBondContact OE2-NZ 3.36Å |
| 389 | D | 86.6 | Confident | 89.5 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | trans | -73.5 | 124 | 171 | -174.1 | -18.1 | 0 | 0 | 0 | 110 | M174 L391 K392 | M174-D389 HydrophobicContact CB-CB 3.95Å; M174-D389 PolarHBondContact O-N 2.86Å; D389-L391 PolarHBondContact O-N 2.94Å; D389-L391 VanDerWaalsContact O-N 3.07Å; D389-L391 WeakPolarHBondContact OD1-CB 3.47Å; D389-L391 PolarHBondContact OD1-N 2.88Å; D389-K392 WeakPolarHBondContact O-CB 3.37Å; D389-K392 PolarHBondContact O-N 3.36Å | ||
| 390 | P | 83.8 | Confident | 89.3 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.6 | -26.9 | 173.8 | -27.7 | 35.8 | 0 | 0 | 0 | 114.5 | E388 K392 S393 Q394 | E388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-K392 PolarHBondContact O-N 3.27Å; P390-S393 WeakPolarHBondContact O-CB 3.45Å; P390-S393 PolarHBondContact O-N 3.15Å; P390-S393 VanDerWaalsContact O-N 3.12Å; P390-Q394 PolarHBondContact O-N 2.84Å |
| 391 | L | 86.9 | Confident | 88.8 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.8 | -31.3 | 174.8 | -176.9 | 56.9 | 0 | 0 | 0 | 112.4 | M174 D389 S393 Q394 M395 | M174-L391 HydrophobicContact CE-CB 4.23Å; M174-L391 HydrophobicContact CE-CD2 3.86Å; M174-L391 HydrophobicContact CE-CG 4.05Å; D389-L391 PolarHBondContact O-N 2.94Å; D389-L391 VanDerWaalsContact O-N 3.07Å; D389-L391 WeakPolarHBondContact OD1-CB 3.47Å; D389-L391 PolarHBondContact OD1-N 2.88Å; L391-S393 VanDerWaalsContact C-N 3.27Å; L391-S393 PolarHBondContact O-N 2.63Å; L391-Q394 HydrophobicContact CD1-CB 4.5Å; L391-Q394 PolarHBondContact O-N 2.82Å; L391-M395 HydrophobicContact CD1-CE 4.36Å; L391-M395 HydrophobicContact CD1-CG 4.19Å; L391-M395 HydrophobicContact CD2-CE 4.06Å; L391-M395 HydrophobicContact CG-CE 4.06Å; L391-M395 HydrophobicContact CG-CG 4.23Å; L391-M395 HydrophobicContact CG-SD 4.19Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 WeakPolarHBondContact O-CG 3.42Å; L391-M395 PolarHBondContact O-N 2.76Å |
| 392 | K | 87.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 174.8 | -173.3 | -169.8 | 176.6 | -169.4 | 0 | 111.8 | L170 E388 D389 P390 S396 | L170-K392 HydrophobicContact CD2-CB 4.37Å; L170-K392 HydrophobicContact CD2-CG 3.78Å; E388-K392 IonicContact OE1-NZ 3.61Å; E388-K392 PolarHBondContact OE1-NZ 3.41Å; E388-K392 WeakPolarHBondContact OE2-CD 3.04Å; E388-K392 IonicContact OE2-NZ 2.82Å; E388-K392 PolarHBondContact OE2-NZ 3.36Å; D389-K392 WeakPolarHBondContact O-CB 3.37Å; D389-K392 PolarHBondContact O-N 3.36Å; P390-K392 PolarHBondContact O-N 3.27Å; K392-S396 WeakPolarHBondContact O-CB 3.2Å; K392-S396 PolarHBondContact O-N 2.84Å |
| 393 | S | 86.3 | Confident | 86.5 | Confident | 88 Ų | 88 | 64 Ų | 64 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70 | -44 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | P390 L391 S396 S397 | P390-S393 WeakPolarHBondContact O-CB 3.45Å; P390-S393 PolarHBondContact O-N 3.15Å; P390-S393 VanDerWaalsContact O-N 3.12Å; L391-S393 VanDerWaalsContact C-N 3.27Å; L391-S393 PolarHBondContact O-N 2.63Å; S393-S396 PolarHBondContact O-N 2.77Å; S393-S397 WeakPolarHBondContact O-CB 3.38Å; S393-S397 PolarHBondContact O-N 3.36Å |
| 394 | Q | 87.5 | Confident | 85.8 | Confident | 121 Ų | 121 | 68.1 Ų | 68.1 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 177.2 | -61 | 177.6 | 6.4 | 0 | 0 | 111.9 | P390 L391 S397 F398 | P390-Q394 PolarHBondContact O-N 2.84Å; L391-Q394 HydrophobicContact CD1-CB 4.5Å; L391-Q394 PolarHBondContact O-N 2.82Å; Q394-S397 PolarHBondContact O-N 2.81Å; Q394-F398 PolarHBondContact O-N 2.99Å |
| 395 | M | 90 | Very high | 85.4 | Confident | 37 Ų | 37 | 69.1 Ų | 69.1 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.5 | -79.9 | -176.6 | 167 | 0 | 0 | 112.2 | I166 L170 M174 L391 F398 L399 | I166-M395 HydrophobicContact CG1-CE 4.47Å; I166-M395 HydrophobicContact CG2-CB 3.67Å; I166-M395 HydrophobicContact CG2-CG 3.79Å; I166-M395 HydrophobicContact CG2-SD 4.1Å; L170-M395 HydrophobicContact CD1-CB 4.04Å; L170-M395 HydrophobicContact CD2-CB 3.9Å; L170-M395 HydrophobicContact CD2-SD 4.29Å; L170-M395 HydrophobicContact CG-CB 4.12Å; L170-M395 HydrophobicContact CG-SD 4.44Å; M174-M395 HydrophobicContact CE-SD 4.2Å; M174-M395 HydrophobicContact SD-SD 4Å; L391-M395 HydrophobicContact CD1-CE 4.36Å; L391-M395 HydrophobicContact CD1-CG 4.19Å; L391-M395 HydrophobicContact CD2-CE 4.06Å; L391-M395 HydrophobicContact CG-CE 4.06Å; L391-M395 HydrophobicContact CG-CG 4.23Å; L391-M395 HydrophobicContact CG-SD 4.19Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 WeakPolarHBondContact O-CG 3.42Å; L391-M395 PolarHBondContact O-N 2.76Å; M395-F398 PolarHBondContact O-N 3.48Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 2.88Å |
| 396 | S | 89.6 | Confident | 85.2 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | K392 S393 F398 L399 L400 | K392-S396 WeakPolarHBondContact O-CB 3.2Å; K392-S396 PolarHBondContact O-N 2.84Å; S393-S396 PolarHBondContact O-N 2.77Å; S396-F398 VanDerWaalsContact C-N 3.33Å; S396-F398 PolarHBondContact O-N 2.83Å; S396-L399 PolarHBondContact O-N 2.82Å; S396-L400 WeakPolarHBondContact O-CB 3.4Å; S396-L400 WeakPolarHBondContact O-CG 3.09Å; S396-L400 PolarHBondContact O-N 3.46Å |
| 397 | S | 89.6 | Confident | 85.4 | Confident | 78 Ų | 78 | 79.6 Ų | 79.6 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60 | -39.6 | 175.2 | 179 | 0 | 0 | 0 | 0 | 112.5 | S393 Q394 L400 S401 | S393-S397 WeakPolarHBondContact O-CB 3.38Å; S393-S397 PolarHBondContact O-N 3.36Å; Q394-S397 PolarHBondContact O-N 2.81Å; S397-L400 PolarHBondContact O-N 2.83Å; S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.11Å |
| 398 | F | 89.1 | Confident | 85.4 | Confident | 97 Ų | 97 | 83.5 Ų | 83.5 | 43% | 0.425 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.2 | 175.7 | -96.3 | 0 | 0 | 0 | 112.8 | I166 Q394 M395 S396 S401 | I166-F398 HydrophobicContact CD1-CD1 3.61Å; I166-F398 HydrophobicContact CD1-CE1 3.68Å; Q394-F398 PolarHBondContact O-N 2.99Å; M395-F398 PolarHBondContact O-N 3.48Å; S396-F398 VanDerWaalsContact C-N 3.33Å; S396-F398 PolarHBondContact O-N 2.83Å; F398-S401 WeakPolarHBondContact O-CB 3.09Å; F398-S401 PolarHBondContact O-N 3.26Å |
| 399 | L | 88.5 | Confident | 85.6 | Confident | 26 Ų | 26 | 82.1 Ų | 82.1 | 14% | 0.136 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 176.5 | -65.6 | -173.3 | 0 | 0 | 0 | 112.5 | R163 I166 Q167 L170 M395 S396 S401 | R163-L399 HydrophobicContact CB-CD2 4.35Å; R163-L399 HydrophobicContact CG-CD2 3.56Å; R163-L399 VanDerWaalsContact CZ-O 3.25Å; R163-L399 PolarHBondContact NH1-O 3.45Å; R163-L399 VanDerWaalsContact NH1-O 3.09Å; R163-L399 PolarHBondContact NH2-O 3.43Å; R163-L399 WeakPolarHBondContact O-CD2 3.41Å; I166-L399 HydrophobicContact CB-CD2 4.21Å; I166-L399 HydrophobicContact CG2-CD1 4.14Å; I166-L399 HydrophobicContact CG2-CD2 3.97Å; I166-L399 HydrophobicContact CG2-CG 3.94Å; Q167-L399 HydrophobicContact CB-CD1 4Å; Q167-L399 HydrophobicContact CG-CD1 4.39Å; L170-L399 HydrophobicContact CD1-CD1 3.66Å; L170-L399 HydrophobicContact CD1-CG 4.49Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 2.88Å; S396-L399 PolarHBondContact O-N 2.82Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 2.9Å |
| 400 | L | 85.5 | Confident | 85.9 | Confident | 131 Ų | 131 | 82.8 Ų | 82.8 | 69% | 0.686 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -74.7 | -15.8 | 178.5 | -68 | 171.7 | 0 | 0 | 0 | 113.2 | S396 S397 T402 | S396-L400 WeakPolarHBondContact O-CB 3.4Å; S396-L400 WeakPolarHBondContact O-CG 3.09Å; S396-L400 PolarHBondContact O-N 3.46Å; S397-L400 PolarHBondContact O-N 2.83Å; L400-T402 PolarHBondContact O-N 3.48Å; L400-T402 VanDerWaalsContact O-N 3.08Å |
| 401 | S | 83.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | trans | -63.6 | 110.8 | 176 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | S397 F398 L399 A403 | S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.11Å; F398-S401 WeakPolarHBondContact O-CB 3.09Å; F398-S401 PolarHBondContact O-N 3.26Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 2.9Å; S401-A403 WeakPolarHBondContact OG-CB 3.45Å; S401-A403 PolarHBondContact OG-N 2.81Å | ||
| 402 | T | 69.9 | Low | 86.5 | Confident | 91 Ų | 91 | 83 Ų | 83 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | trans | -100.2 | 14 | 165 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | L400 N404 Q405 | L400-T402 PolarHBondContact O-N 3.48Å; L400-T402 VanDerWaalsContact O-N 3.08Å; T402-N404 PolarHBondContact O-N 2.89Å; T402-Q405 WeakPolarHBondContact O-CB 3.19Å; T402-Q405 WeakPolarHBondContact O-CG 3.33Å; T402-Q405 PolarHBondContact O-N 3.49Å | ||
| 403 | A | 70.3 | Confident | 86.6 | Confident | 61 Ų | 61 | 82.2 Ų | 82.2 | 50% | 0.504 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S401 Q405 | S401-A403 WeakPolarHBondContact OG-CB 3.45Å; S401-A403 PolarHBondContact OG-N 2.81Å; A403-Q405 PolarHBondContact O-N 2.99Å |
| 404 | N | 78.4 | Confident | 87 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 3.5 | 177.5 | -52.4 | 37 | 0 | 0 | 0 | 115.7 | T402 Q406 E407 I408 | T402-N404 PolarHBondContact O-N 2.89Å; N404-Q406 VanDerWaalsContact C-N 3.27Å; N404-Q406 PolarHBondContact O-N 2.95Å; N404-E407 HydrophobicContact CB-CB 4.44Å; N404-E407 PolarHBondContact ND2-OE2 3.4Å; N404-E407 WeakPolarHBondContact O-CB 3.22Å; N404-E407 PolarHBondContact O-N 2.6Å; N404-E407 VanDerWaalsContact O-N 3.09Å; N404-I408 WeakPolarHBondContact O-CG1 3.31Å; N404-I408 PolarHBondContact O-N 3.49Å |
| 405 | Q | 84.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 81.4 Ų | 81.4 | 48% | 0.477 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.7 | -34.6 | 177.2 | -71.5 | -179.9 | 2.3 | 0 | 0 | 113 | T402 A403 A409 | T402-Q405 WeakPolarHBondContact O-CB 3.19Å; T402-Q405 WeakPolarHBondContact O-CG 3.33Å; T402-Q405 PolarHBondContact O-N 3.49Å; A403-Q405 PolarHBondContact O-N 2.99Å; Q405-A409 WeakPolarHBondContact O-CB 3.28Å; Q405-A409 PolarHBondContact O-N 3.48Å |
| 406 | Q | 87.4 | Confident | 87.2 | Confident | 178 Ų | 178 | 82.7 Ų | 82.7 | 83% | 0.832 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.5 | -34.1 | 175.2 | -68 | 177.8 | -17.4 | 0 | 0 | 112.7 | N404 A409 S410 | N404-Q406 VanDerWaalsContact C-N 3.27Å; N404-Q406 PolarHBondContact O-N 2.95Å; Q406-A409 PolarHBondContact O-N 3.14Å; Q406-S410 PolarHBondContact O-N 3.01Å; Q406-S410 PolarHBondContact O-OG 3.11Å |
| 407 | E | 92.3 | Very high | 87.3 | Confident | 106 Ų | 106 | 85.8 Ų | 85.8 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.5 | -43.3 | 176.1 | -178.1 | -177.6 | -151.8 | 0 | 0 | 110.9 | N404 A409 S410 L411 | N404-E407 HydrophobicContact CB-CB 4.44Å; N404-E407 PolarHBondContact ND2-OE2 3.4Å; N404-E407 WeakPolarHBondContact O-CB 3.22Å; N404-E407 PolarHBondContact O-N 2.6Å; N404-E407 VanDerWaalsContact O-N 3.09Å; E407-A409 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 3.49Å; E407-S410 PolarHBondContact O-N 3.37Å; E407-S410 PolarHBondContact O-OG 3.22Å; E407-L411 HydrophobicContact CG-CD1 4.26Å; E407-L411 WeakPolarHBondContact O-CB 3.5Å; E407-L411 VanDerWaalsContact O-CG 3.29Å; E407-L411 WeakPolarHBondContact O-CG 2.95Å; E407-L411 PolarHBondContact O-N 3.38Å |
| 408 | I | 89.8 | Confident | 87.4 | Confident | 99 Ų | 99 | 85.5 Ų | 85.5 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 171.9 | -66.3 | 164.3 | 0 | 0 | 0 | 110.2 | N404 S410 L411 D412 | N404-I408 WeakPolarHBondContact O-CG1 3.31Å; N404-I408 PolarHBondContact O-N 3.49Å; I408-S410 PolarHBondContact O-N 3.01Å; I408-L411 PolarHBondContact O-N 3.28Å; I408-D412 WeakPolarHBondContact O-CB 3.42Å; I408-D412 PolarHBondContact O-N 3.24Å |
| 409 | A | 89.6 | Confident | 87.5 | Confident | 48 Ų | 48 | 81.4 Ų | 81.4 | 40% | 0.397 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q405 Q406 E407 N413 | Q405-A409 WeakPolarHBondContact O-CB 3.28Å; Q405-A409 PolarHBondContact O-N 3.48Å; Q406-A409 PolarHBondContact O-N 3.14Å; E407-A409 VanDerWaalsContact C-N 3.29Å; E407-A409 PolarHBondContact O-N 3.49Å; A409-N413 VanDerWaalsContact O-CG 3.27Å; A409-N413 PolarHBondContact O-N 3.09Å; A409-N413 PolarHBondContact O-OD1 3.38Å; A409-N413 VanDerWaalsContact O-OD1 3.06Å |
| 410 | S | 92.3 | Very high | 87.5 | Confident | 63 Ų | 63 | 85 Ų | 85 | 44% | 0.441 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -77.1 | -33.8 | 177 | 67.8 | 0 | 0 | 0 | 0 | 112.6 | Q406 E407 I408 N413 K414 | Q406-S410 PolarHBondContact O-N 3.01Å; Q406-S410 PolarHBondContact O-OG 3.11Å; E407-S410 PolarHBondContact O-N 3.37Å; E407-S410 PolarHBondContact O-OG 3.22Å; I408-S410 PolarHBondContact O-N 3.01Å; S410-N413 WeakPolarHBondContact O-CB 3.47Å; S410-N413 PolarHBondContact O-N 3.11Å; S410-K414 PolarHBondContact O-N 3.31Å; S410-K414 VanDerWaalsContact O-N 3.12Å |
| 411 | L | 93.2 | Very high | 87.9 | Confident | 93 Ų | 93 | 81.5 Ų | 81.5 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 168.5 | -70.2 | 170.8 | 0 | 0 | 0 | 111.3 | E407 I408 N413 K414 I415 | E407-L411 HydrophobicContact CG-CD1 4.26Å; E407-L411 WeakPolarHBondContact O-CB 3.5Å; E407-L411 VanDerWaalsContact O-CG 3.29Å; E407-L411 WeakPolarHBondContact O-CG 2.95Å; E407-L411 PolarHBondContact O-N 3.38Å; I408-L411 PolarHBondContact O-N 3.28Å; L411-N413 PolarHBondContact O-N 3.1Å; L411-K414 PolarHBondContact O-N 3.27Å; L411-I415 WeakPolarHBondContact O-CG1 3.38Å; L411-I415 PolarHBondContact O-N 2.9Å |
| 412 | D | 90.9 | Very high | 88.3 | Confident | 43 Ų | 43 | 81.6 Ų | 81.6 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 174.9 | -96.6 | 8.9 | 0 | 0 | 0 | 113.4 | K129 I408 H416 | K129-D412 WeakPolarHBondContact CE-OD1 3.47Å; K129-D412 VanDerWaalsContact CE-OD2 3.23Å; K129-D412 WeakPolarHBondContact CE-OD2 3.03Å; K129-D412 IonicContact NZ-OD1 3.08Å; K129-D412 PolarHBondContact NZ-OD1 3.25Å; K129-D412 IonicContact NZ-OD2 2.58Å; K129-D412 PolarHBondContact NZ-OD2 2.65Å; I408-D412 WeakPolarHBondContact O-CB 3.42Å; I408-D412 PolarHBondContact O-N 3.24Å; D412-H416 WeakPolarHBondContact O-CB 3.38Å; D412-H416 PolarHBondContact O-N 3.03Å |
| 413 | N | 90.6 | Very high | 89.2 | Confident | 54 Ų | 54 | 79.5 Ų | 79.5 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.7 | -53.9 | 168.3 | -63.3 | -12.3 | 0 | 0 | 0 | 109.9 | R124 A409 S410 L411 I415 H416 E417 | R124-N413 PolarHBondContact NH1-OD1 2.85Å; R124-N413 PolarHBondContact NH2-OD1 3.04Å; A409-N413 VanDerWaalsContact O-CG 3.27Å; A409-N413 PolarHBondContact O-N 3.09Å; A409-N413 PolarHBondContact O-OD1 3.38Å; A409-N413 VanDerWaalsContact O-OD1 3.06Å; S410-N413 WeakPolarHBondContact O-CB 3.47Å; S410-N413 PolarHBondContact O-N 3.11Å; L411-N413 PolarHBondContact O-N 3.1Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 2.9Å; N413-H416 WeakPolarHBondContact O-CB 3.27Å; N413-H416 PolarHBondContact O-N 3.48Å; N413-E417 WeakPolarHBondContact O-CG 3.2Å; N413-E417 PolarHBondContact O-N 3.36Å |
| 414 | K | 94.8 | Very high | 90.2 | Very high | 137 Ų | 137 | 81.2 Ų | 81.2 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.5 | -36.1 | -174 | -170 | 171.9 | -176.7 | 175.2 | 0 | 112.5 | S410 L411 T418 | S410-K414 PolarHBondContact O-N 3.31Å; S410-K414 VanDerWaalsContact O-N 3.12Å; L411-K414 PolarHBondContact O-N 3.27Å; K414-T418 VanDerWaalsContact O-CB 3.26Å; K414-T418 WeakPolarHBondContact O-CB 3.48Å; K414-T418 PolarHBondContact O-N 2.82Å; K414-T418 PolarHBondContact O-OG1 2.75Å |
| 415 | I | 91.4 | Very high | 90.9 | Very high | 56 Ų | 56 | 81.1 Ų | 81.1 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 171.8 | -73.8 | 166 | 0 | 0 | 0 | 110.3 | Y145 L411 N413 T418 I419 | Y145-I415 VanDerWaalsContact OH-CG2 3.27Å; Y145-I415 WeakPolarHBondContact OH-CG2 3.35Å; L411-I415 WeakPolarHBondContact O-CG1 3.38Å; L411-I415 PolarHBondContact O-N 2.9Å; N413-I415 VanDerWaalsContact C-N 3.33Å; N413-I415 PolarHBondContact O-N 2.9Å; I415-T418 PolarHBondContact O-N 2.79Å; I415-I419 HydrophobicContact CG2-CD1 3.83Å; I415-I419 VanDerWaalsContact O-CG1 3.3Å; I415-I419 WeakPolarHBondContact O-CG1 3.48Å; I415-I419 PolarHBondContact O-N 3.33Å |
| 416 | H | 88.8 | Confident | 91.2 | Very high | 64 Ų | 64 | 77.9 Ų | 77.9 | 30% | 0.296 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | -179 | -175.1 | 58.3 | 0 | 0 | 0 | 112.6 | D128 D412 N413 T418 I419 E420 | D128-H416 PolarHBondContact O-ND1 3.09Å; D128-H416 VanDerWaalsContact O-ND1 3.14Å; D412-H416 WeakPolarHBondContact O-CB 3.38Å; D412-H416 PolarHBondContact O-N 3.03Å; N413-H416 WeakPolarHBondContact O-CB 3.27Å; N413-H416 PolarHBondContact O-N 3.48Å; H416-T418 VanDerWaalsContact C-N 3.29Å; H416-T418 PolarHBondContact O-N 2.81Å; H416-I419 PolarHBondContact O-N 3.27Å; H416-I419 VanDerWaalsContact O-N 3.15Å; H416-E420 PolarHBondContact O-N 2.91Å |
| 417 | E | 92.1 | Very high | 91.4 | Very high | 117 Ų | 117 | 74.9 Ų | 74.9 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57 | -41.3 | 174.4 | -69.5 | 158.9 | -159.3 | 0 | 0 | 111.8 | N413 E420 S421 | N413-E417 WeakPolarHBondContact O-CG 3.2Å; N413-E417 PolarHBondContact O-N 3.36Å; E417-E420 PolarHBondContact O-N 3.31Å; E417-S421 WeakPolarHBondContact O-CB 3.5Å; E417-S421 PolarHBondContact O-N 2.73Å |
| 418 | T | 92.4 | Very high | 91.5 | Very high | 71 Ų | 71 | 75.2 Ų | 75.2 | 44% | 0.436 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | K414 I415 H416 S421 I422 | K414-T418 VanDerWaalsContact O-CB 3.26Å; K414-T418 WeakPolarHBondContact O-CB 3.48Å; K414-T418 PolarHBondContact O-N 2.82Å; K414-T418 PolarHBondContact O-OG1 2.75Å; I415-T418 PolarHBondContact O-N 2.79Å; H416-T418 VanDerWaalsContact C-N 3.29Å; H416-T418 PolarHBondContact O-N 2.81Å; T418-S421 PolarHBondContact O-N 2.91Å; T418-I422 HydrophobicContact CG2-CD1 3.94Å; T418-I422 WeakPolarHBondContact O-CB 3.38Å; T418-I422 VanDerWaalsContact O-CG1 3.24Å; T418-I422 WeakPolarHBondContact O-CG1 3.23Å; T418-I422 PolarHBondContact O-N 3.31Å |
| 419 | I | 90.3 | Very high | 91.7 | Very high | 11 Ų | 11 | 76 Ų | 76 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 175.9 | -71.7 | 168.6 | 0 | 0 | 0 | 111.2 | K129 L131 Y145 I415 H416 I422 N423 | K129-I419 WeakPolarHBondContact O-CD1 3.37Å; L131-I419 HydrophobicContact CD2-CG1 4.12Å; Y145-I419 HydrophobicContact CE1-CD1 4.4Å; I415-I419 HydrophobicContact CG2-CD1 3.83Å; I415-I419 VanDerWaalsContact O-CG1 3.3Å; I415-I419 WeakPolarHBondContact O-CG1 3.48Å; I415-I419 PolarHBondContact O-N 3.33Å; H416-I419 PolarHBondContact O-N 3.27Å; H416-I419 VanDerWaalsContact O-N 3.15Å; I419-I422 PolarHBondContact O-N 2.62Å; I419-N423 VanDerWaalsContact O-CG 3.28Å; I419-N423 PolarHBondContact O-N 2.86Å; I419-N423 PolarHBondContact O-ND2 3.35Å |
| 420 | E | 89.6 | Confident | 91.8 | Very high | 102 Ų | 102 | 76 Ų | 76 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -47.8 | 174.8 | -164.3 | -174.7 | 161.2 | 0 | 0 | 111.3 | H416 E417 I422 N423 Q424 | H416-E420 PolarHBondContact O-N 2.91Å; E417-E420 PolarHBondContact O-N 3.31Å; E420-I422 VanDerWaalsContact C-N 3.34Å; E420-I422 PolarHBondContact O-N 3.4Å; E420-N423 WeakPolarHBondContact O-CB 3.37Å; E420-N423 PolarHBondContact O-N 3.2Å; E420-Q424 WeakPolarHBondContact O-CG 3.41Å; E420-Q424 PolarHBondContact O-N 3.15Å; E420-Q424 PolarHBondContact OE1-NE2 3.44Å |
| 421 | S | 93.9 | Very high | 91.9 | Very high | 57 Ų | 57 | 76.7 Ų | 76.7 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 174.9 | -178 | 0 | 0 | 0 | 0 | 112.2 | E417 T418 N423 Q424 L425 | E417-S421 WeakPolarHBondContact O-CB 3.5Å; E417-S421 PolarHBondContact O-N 2.73Å; T418-S421 PolarHBondContact O-N 2.91Å; S421-N423 VanDerWaalsContact C-N 3.32Å; S421-N423 PolarHBondContact O-N 2.93Å; S421-Q424 PolarHBondContact O-N 3.02Å; S421-L425 WeakPolarHBondContact O-CB 3.45Å; S421-L425 VanDerWaalsContact O-CG 3.32Å; S421-L425 WeakPolarHBondContact O-CG 3.38Å; S421-L425 PolarHBondContact O-N 3.07Å |
| 422 | I | 91.1 | Very high | 92 | Very high | 60 Ų | 60 | 77.8 Ų | 77.8 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 173.8 | -75.1 | 166.8 | 0 | 0 | 0 | 111.5 | L131 I135 T418 I419 E420 K426 | L131-I422 HydrophobicContact CD2-CG2 4.36Å; I135-I422 HydrophobicContact CD1-CG2 3.74Å; I135-I422 HydrophobicContact CG2-CG2 3.86Å; T418-I422 HydrophobicContact CG2-CD1 3.94Å; T418-I422 WeakPolarHBondContact O-CB 3.38Å; T418-I422 VanDerWaalsContact O-CG1 3.24Å; T418-I422 WeakPolarHBondContact O-CG1 3.23Å; T418-I422 PolarHBondContact O-N 3.31Å; I419-I422 PolarHBondContact O-N 2.62Å; E420-I422 VanDerWaalsContact C-N 3.34Å; E420-I422 PolarHBondContact O-N 3.4Å; I422-K426 WeakPolarHBondContact O-CB 3.46Å; I422-K426 PolarHBondContact O-N 2.82Å |
| 423 | N | 89.3 | Confident | 92.1 | Very high | 47 Ų | 47 | 78.6 Ų | 78.6 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66 | -44 | 176.9 | -73 | -42.4 | 0 | 0 | 0 | 112.2 | P132 I135 I419 E420 S421 K426 I427 | P132-N423 WeakPolarHBondContact CG-OD1 3.43Å; I135-N423 VanDerWaalsContact CD1-OD1 3.25Å; I135-N423 WeakPolarHBondContact CD1-OD1 3.5Å; I419-N423 VanDerWaalsContact O-CG 3.28Å; I419-N423 PolarHBondContact O-N 2.86Å; I419-N423 PolarHBondContact O-ND2 3.35Å; E420-N423 WeakPolarHBondContact O-CB 3.37Å; E420-N423 PolarHBondContact O-N 3.2Å; S421-N423 VanDerWaalsContact C-N 3.32Å; S421-N423 PolarHBondContact O-N 2.93Å; N423-K426 PolarHBondContact O-N 2.77Å; N423-I427 WeakPolarHBondContact O-CG1 3.46Å; N423-I427 PolarHBondContact O-N 3.19Å |
| 424 | Q | 91.7 | Very high | 92.3 | Very high | 97 Ų | 97 | 78 Ų | 78 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 177.5 | -67.4 | 178.3 | 15.6 | 0 | 0 | 111.5 | E420 S421 K426 I427 Q428 | E420-Q424 WeakPolarHBondContact O-CG 3.41Å; E420-Q424 PolarHBondContact O-N 3.15Å; E420-Q424 PolarHBondContact OE1-NE2 3.44Å; S421-Q424 PolarHBondContact O-N 3.02Å; Q424-K426 VanDerWaalsContact C-N 3.27Å; Q424-K426 PolarHBondContact O-N 3.14Å; Q424-I427 WeakPolarHBondContact O-CB 3.24Å; Q424-I427 PolarHBondContact O-N 2.9Å; Q424-I427 VanDerWaalsContact O-N 3.13Å; Q424-Q428 WeakPolarHBondContact O-CG 3.23Å; Q424-Q428 PolarHBondContact O-N 3.31Å |
| 425 | L | 93.3 | Very high | 92.3 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 175.7 | -71.2 | 170.4 | 0 | 0 | 0 | 111.9 | S421 Q428 R429 | S421-L425 WeakPolarHBondContact O-CB 3.45Å; S421-L425 VanDerWaalsContact O-CG 3.32Å; S421-L425 WeakPolarHBondContact O-CG 3.38Å; S421-L425 PolarHBondContact O-N 3.07Å; L425-Q428 PolarHBondContact O-N 2.97Å; L425-R429 WeakPolarHBondContact O-CB 3.42Å; L425-R429 PolarHBondContact O-N 2.93Å |
| 426 | K | 91.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 77 Ų | 77 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.9 | -31.8 | 176.7 | -176.9 | -97 | 167.3 | -153.9 | 0 | 112.8 | I135 I422 N423 Q424 D430 | I135-K426 HydrophobicContact CD1-CB 3.85Å; I135-K426 HydrophobicContact CD1-CD 3.97Å; I135-K426 HydrophobicContact CD1-CG 3.87Å; I135-K426 HydrophobicContact CG1-CB 4.39Å; I135-K426 HydrophobicContact CG1-CD 3.91Å; I135-K426 HydrophobicContact CG1-CG 3.87Å; I422-K426 WeakPolarHBondContact O-CB 3.46Å; I422-K426 PolarHBondContact O-N 2.82Å; N423-K426 PolarHBondContact O-N 2.77Å; Q424-K426 VanDerWaalsContact C-N 3.27Å; Q424-K426 PolarHBondContact O-N 3.14Å; K426-D430 WeakPolarHBondContact CE-OD2 3.46Å; K426-D430 IonicContact NZ-OD1 3.47Å; K426-D430 IonicContact NZ-OD2 2.76Å; K426-D430 PolarHBondContact NZ-OD2 3.3Å; K426-D430 WeakPolarHBondContact O-CB 3.29Å; K426-D430 PolarHBondContact O-N 2.84Å |
| 427 | I | 91.6 | Very high | 92.9 | Very high | 114 Ų | 114 | 84 Ų | 84 | 59% | 0.585 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.8 | -45.8 | 170.3 | -71.3 | 158.4 | 0 | 0 | 0 | 110.3 | N423 Q424 R429 D430 F431 | N423-I427 WeakPolarHBondContact O-CG1 3.46Å; N423-I427 PolarHBondContact O-N 3.19Å; Q424-I427 WeakPolarHBondContact O-CB 3.24Å; Q424-I427 PolarHBondContact O-N 2.9Å; Q424-I427 VanDerWaalsContact O-N 3.13Å; I427-R429 PolarHBondContact O-N 3.1Å; I427-D430 PolarHBondContact O-N 2.88Å; I427-F431 WeakPolarHBondContact O-CB 3.14Å; I427-F431 PolarHBondContact O-N 3.49Å |
| 428 | Q | 93.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 82.4 Ų | 82.4 | 53% | 0.533 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.6 | -66.6 | 172.3 | 4.9 | 0 | 0 | 111.9 | Q424 L425 F431 M432 | Q424-Q428 WeakPolarHBondContact O-CG 3.23Å; Q424-Q428 PolarHBondContact O-N 3.31Å; L425-Q428 PolarHBondContact O-N 2.97Å; Q428-F431 WeakPolarHBondContact O-CB 3.49Å; Q428-F431 PolarHBondContact O-N 3.4Å; Q428-M432 WeakPolarHBondContact O-CG 3.45Å; Q428-M432 PolarHBondContact O-N 2.93Å |
| 429 | R | 93.1 | Very high | 93.3 | Very high | 114 Ų | 114 | 81.9 Ų | 81.9 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 174.7 | 179.1 | -174.4 | 173.4 | -81.6 | 4.3 | 111.9 | L425 I427 M432 L433 | L425-R429 WeakPolarHBondContact O-CB 3.42Å; L425-R429 PolarHBondContact O-N 2.93Å; I427-R429 PolarHBondContact O-N 3.1Å; R429-M432 PolarHBondContact O-N 2.93Å; R429-L433 HydrophobicContact CG-CD1 3.89Å; R429-L433 HydrophobicContact CG-CG 4.5Å; R429-L433 VanDerWaalsContact CZ-CD1 3.49Å; R429-L433 WeakPolarHBondContact O-CB 3.37Å; R429-L433 VanDerWaalsContact O-CG 3.31Å; R429-L433 WeakPolarHBondContact O-CG 3.27Å; R429-L433 PolarHBondContact O-N 2.9Å |
| 430 | D | 91.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 89.5 Ų | 89.5 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | -179.8 | -81.2 | 17.9 | 0 | 0 | 0 | 111.4 | K426 I427 M432 L433 S434 | K426-D430 WeakPolarHBondContact CE-OD2 3.46Å; K426-D430 IonicContact NZ-OD1 3.47Å; K426-D430 IonicContact NZ-OD2 2.76Å; K426-D430 PolarHBondContact NZ-OD2 3.3Å; K426-D430 WeakPolarHBondContact O-CB 3.29Å; K426-D430 PolarHBondContact O-N 2.84Å; I427-D430 PolarHBondContact O-N 2.88Å; D430-M432 PolarHBondContact O-N 3.41Å; D430-L433 PolarHBondContact O-N 2.97Å; D430-S434 PolarHBondContact O-N 3.17Å; D430-S434 PolarHBondContact O-OG 2.82Å |
| 431 | F | 94.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 85.5 Ų | 85.5 | 34% | 0.342 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -54 | -52.6 | 174.2 | 179.3 | -73.7 | 0 | 0 | 0 | 111.4 | I427 Q428 L433 S434 F435 Y442 | I427-F431 WeakPolarHBondContact O-CB 3.14Å; I427-F431 PolarHBondContact O-N 3.49Å; Q428-F431 WeakPolarHBondContact O-CB 3.49Å; Q428-F431 PolarHBondContact O-N 3.4Å; F431-L433 VanDerWaalsContact C-N 3.34Å; F431-L433 PolarHBondContact O-N 2.75Å; F431-S434 WeakPolarHBondContact CA-OG 3.04Å; F431-S434 PolarHBondContact O-N 2.83Å; F431-S434 PolarHBondContact O-OG 3.28Å; F431-F435 PolarHBondContact O-N 2.97Å; F431-Y442 HydrophobicContact CD1-CE1 4.5Å; F431-Y442 HydrophobicContact CD2-CE1 4.22Å; F431-Y442 WeakPolarHBondContact CD2-OH 3.38Å; F431-Y442 HydrophobicContact CE1-CE1 4.26Å; F431-Y442 AromaticContact CE2-CE1 3.97Å; F431-Y442 HydrophobicContact CE2-CE1 3.97Å; F431-Y442 WeakPolarHBondContact CE2-OH 3.41Å; F431-Y442 HydrophobicContact CG-CE1 4.46Å; F431-Y442 AromaticContact CZ-CE1 3.98Å; F431-Y442 HydrophobicContact CZ-CE1 3.98Å |
| 432 | M | 95.4 | Very high | 93.9 | Very high | 116 Ų | 116 | 85.4 Ų | 85.4 | 57% | 0.571 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.4 | -36.4 | -178.1 | -64.4 | -62.2 | 164.4 | 0 | 0 | 111.8 | Q428 R429 D430 F435 S436 | Q428-M432 WeakPolarHBondContact O-CG 3.45Å; Q428-M432 PolarHBondContact O-N 2.93Å; R429-M432 PolarHBondContact O-N 2.93Å; D430-M432 PolarHBondContact O-N 3.41Å; M432-F435 PolarHBondContact O-N 2.67Å; M432-S436 WeakPolarHBondContact O-CB 3.41Å; M432-S436 PolarHBondContact O-N 3.1Å; M432-S436 PolarHBondContact O-OG 3.08Å |
| 433 | L | 94.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 86.4 Ų | 86.4 | 31% | 0.314 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.4 | -30.8 | 175.2 | -73.8 | 174.1 | 0 | 0 | 0 | 113.6 | R429 D430 F431 S436 R437 | R429-L433 HydrophobicContact CG-CD1 3.89Å; R429-L433 HydrophobicContact CG-CG 4.5Å; R429-L433 VanDerWaalsContact CZ-CD1 3.49Å; R429-L433 WeakPolarHBondContact O-CB 3.37Å; R429-L433 VanDerWaalsContact O-CG 3.31Å; R429-L433 WeakPolarHBondContact O-CG 3.27Å; R429-L433 PolarHBondContact O-N 2.9Å; D430-L433 PolarHBondContact O-N 2.97Å; F431-L433 VanDerWaalsContact C-N 3.34Å; F431-L433 PolarHBondContact O-N 2.75Å; L433-S436 PolarHBondContact O-OG 3.16Å; L433-R437 WeakPolarHBondContact O-CB 3.41Å; L433-R437 VanDerWaalsContact O-CD 3.26Å; L433-R437 WeakPolarHBondContact O-CD 3.33Å; L433-R437 WeakPolarHBondContact O-CG 3.44Å; L433-R437 PolarHBondContact O-N 3.42Å |
| 434 | S | 94.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 89.6 Ų | 89.6 | 29% | 0.287 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.9 | -43.8 | 171.6 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | D430 F431 S436 R437 D438 Y442 | D430-S434 PolarHBondContact O-N 3.17Å; D430-S434 PolarHBondContact O-OG 2.82Å; F431-S434 WeakPolarHBondContact CA-OG 3.04Å; F431-S434 PolarHBondContact O-N 2.83Å; F431-S434 PolarHBondContact O-OG 3.28Å; S434-S436 PolarHBondContact O-N 3.07Å; S434-R437 PolarHBondContact O-N 2.89Å; S434-D438 PolarHBondContact O-N 3.08Å; S434-Y442 WeakPolarHBondContact OG-CD2 3.46Å; S434-Y442 WeakPolarHBondContact OG-CE2 3.42Å |
| 435 | F | 95.6 | Very high | 94.7 | Very high | 90 Ų | 90 | 89.3 Ų | 89.3 | 40% | 0.395 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 175.1 | -179.2 | -90.2 | 0 | 0 | 0 | 112.1 | F431 M432 R437 D438 P439 Y442 I443 | F431-F435 PolarHBondContact O-N 2.97Å; M432-F435 PolarHBondContact O-N 2.67Å; F435-R437 PolarHBondContact O-N 2.99Å; F435-D438 CarbonylContact O-C 3.58Å; F435-P439 HydrophobicContact CD2-CB 4.25Å; F435-P439 HydrophobicContact CE1-CB 4.24Å; F435-P439 HydrophobicContact CE2-CB 3.97Å; F435-P439 HydrophobicContact CZ-CB 3.96Å; F435-P439 VanDerWaalsContact O-CA 3.26Å; F435-P439 WeakPolarHBondContact O-CA 3.4Å; F435-P439 WeakPolarHBondContact O-CB 3.29Å; F435-P439 WeakPolarHBondContact O-CD 3.43Å; F435-P439 VanDerWaalsContact O-N 3.11Å; F435-Y442 HydrophobicContact CB-CD1 3.94Å; F435-Y442 HydrophobicContact CB-CE1 4.39Å; F435-Y442 HydrophobicContact CB-CG 4.46Å; F435-Y442 HydrophobicContact CD2-CD1 4.05Å; F435-I443 HydrophobicContact CD2-CG1 4.49Å; F435-I443 HydrophobicContact CE2-CD1 4.01Å; F435-I443 HydrophobicContact CE2-CG1 4.02Å |
| 436 | S | 97.1 | Very high | 94.8 | Very high | 83 Ų | 83 | 89.8 Ų | 89.8 | 58% | 0.58 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -8.8 | -179.6 | 78.1 | 0 | 0 | 0 | 0 | 114.4 | M432 L433 S434 | M432-S436 WeakPolarHBondContact O-CB 3.41Å; M432-S436 PolarHBondContact O-N 3.1Å; M432-S436 PolarHBondContact O-OG 3.08Å; L433-S436 PolarHBondContact O-OG 3.16Å; S434-S436 PolarHBondContact O-N 3.07Å |
| 437 | R | 96.1 | Very high | 95 | Very high | 209 Ų | 209 | 92.9 Ų | 92.9 | 79% | 0.789 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -45.2 | 178.9 | -78.7 | 171.8 | 178.5 | -159.7 | -2.4 | 112.6 | L433 S434 F435 | L433-R437 WeakPolarHBondContact O-CB 3.41Å; L433-R437 VanDerWaalsContact O-CD 3.26Å; L433-R437 WeakPolarHBondContact O-CD 3.33Å; L433-R437 WeakPolarHBondContact O-CG 3.44Å; L433-R437 PolarHBondContact O-N 3.42Å; S434-R437 PolarHBondContact O-N 2.89Å; F435-R437 PolarHBondContact O-N 2.99Å |
| 438 | D | 95.6 | Very high | 95 | Very high | 84 Ų | 84 | 92.4 Ų | 92.4 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | trans | -144.8 | 92.5 | 169.1 | 175 | 10.2 | 0 | 0 | 0 | 109 | S434 F435 K440 G441 Y442 | S434-D438 PolarHBondContact O-N 3.08Å; F435-D438 CarbonylContact O-C 3.58Å; D438-K440 PolarHBondContact O-N 2.71Å; D438-K440 PolarHBondContact OD1-N 3.05Å; D438-G441 VanDerWaalsContact CG-N 3.28Å; D438-G441 PolarHBondContact OD1-N 3.24Å; D438-G441 VanDerWaalsContact OD2-CA 3.29Å; D438-G441 WeakPolarHBondContact OD2-CA 3.14Å; D438-G441 PolarHBondContact OD2-N 3.1Å; D438-Y442 WeakPolarHBondContact O-CB 3.48Å; D438-Y442 PolarHBondContact O-N 3.28Å | ||
| 439 | P | 95.8 | Very high | 95.1 | Very high | 61 Ų | 61 | 89.2 Ų | 89.2 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67 | -26.7 | -179.2 | 25.6 | -33.1 | 0 | 0 | 0 | 112.1 | F435 I443 | F435-P439 HydrophobicContact CD2-CB 4.25Å; F435-P439 HydrophobicContact CE1-CB 4.24Å; F435-P439 HydrophobicContact CE2-CB 3.97Å; F435-P439 HydrophobicContact CZ-CB 3.96Å; F435-P439 VanDerWaalsContact O-CA 3.26Å; F435-P439 WeakPolarHBondContact O-CA 3.4Å; F435-P439 WeakPolarHBondContact O-CB 3.29Å; F435-P439 WeakPolarHBondContact O-CD 3.43Å; F435-P439 VanDerWaalsContact O-N 3.11Å; P439-I443 WeakPolarHBondContact O-CB 3.33Å; P439-I443 VanDerWaalsContact O-CD1 3.32Å; P439-I443 WeakPolarHBondContact O-CD1 3.48Å; P439-I443 WeakPolarHBondContact O-CG1 3.28Å; P439-I443 PolarHBondContact O-N 3.31Å |
| 440 | K | 95.4 | Very high | 95.2 | Very high | 171 Ų | 171 | 88.1 Ų | 88.1 | 74% | 0.743 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.1 | -52.4 | -177.4 | -178 | -177.7 | 174.4 | -175.6 | 0 | 110.8 | D438 Y442 Q444 | D438-K440 PolarHBondContact O-N 2.71Å; D438-K440 PolarHBondContact OD1-N 3.05Å; K440-Y442 VanDerWaalsContact C-N 3.31Å; K440-Q444 PolarHBondContact O-N 3.45Å |
| 441 | G | 96 | Very high | 95.2 | Very high | 18 Ų | 18 | 88.6 Ų | 88.6 | 19% | 0.186 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D438 Q444 D445 | D438-G441 VanDerWaalsContact CG-N 3.28Å; D438-G441 PolarHBondContact OD1-N 3.24Å; D438-G441 VanDerWaalsContact OD2-CA 3.29Å; D438-G441 WeakPolarHBondContact OD2-CA 3.14Å; D438-G441 PolarHBondContact OD2-N 3.1Å; G441-Q444 PolarHBondContact O-N 2.8Å; G441-D445 PolarHBondContact O-N 2.63Å |
| 442 | Y | 96.5 | Very high | 95 | Very high | 54 Ų | 54 | 92.6 Ų | 92.6 | 21% | 0.212 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 179.9 | -168 | -99.2 | 0 | 0 | 0 | 113.6 | F431 S434 F435 D438 K440 Q444 D445 W446 | F431-Y442 HydrophobicContact CD1-CE1 4.5Å; F431-Y442 HydrophobicContact CD2-CE1 4.22Å; F431-Y442 WeakPolarHBondContact CD2-OH 3.38Å; F431-Y442 HydrophobicContact CE1-CE1 4.26Å; F431-Y442 AromaticContact CE2-CE1 3.97Å; F431-Y442 HydrophobicContact CE2-CE1 3.97Å; F431-Y442 WeakPolarHBondContact CE2-OH 3.41Å; F431-Y442 HydrophobicContact CG-CE1 4.46Å; F431-Y442 AromaticContact CZ-CE1 3.98Å; F431-Y442 HydrophobicContact CZ-CE1 3.98Å; S434-Y442 WeakPolarHBondContact OG-CD2 3.46Å; S434-Y442 WeakPolarHBondContact OG-CE2 3.42Å; F435-Y442 HydrophobicContact CB-CD1 3.94Å; F435-Y442 HydrophobicContact CB-CE1 4.39Å; F435-Y442 HydrophobicContact CB-CG 4.46Å; F435-Y442 HydrophobicContact CD2-CD1 4.05Å; D438-Y442 WeakPolarHBondContact O-CB 3.48Å; D438-Y442 PolarHBondContact O-N 3.28Å; K440-Y442 VanDerWaalsContact C-N 3.31Å; Y442-Q444 VanDerWaalsContact C-N 3.29Å; Y442-Q444 PolarHBondContact O-N 2.77Å; Y442-D445 PolarHBondContact O-N 3.32Å; Y442-W446 HydrophobicContact CE1-CB 4.39Å; Y442-W446 VanDerWaalsContact O-CB 3.23Å; Y442-W446 WeakPolarHBondContact O-CB 3.15Å; Y442-W446 PolarHBondContact O-N 2.96Å |
| 443 | I | 96.3 | Very high | 95 | Very high | 82 Ų | 82 | 90 Ų | 90 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 174 | -71.9 | 165.1 | 0 | 0 | 0 | 110.4 | F435 P439 D445 W446 L447 | F435-I443 HydrophobicContact CD2-CG1 4.49Å; F435-I443 HydrophobicContact CE2-CD1 4.01Å; F435-I443 HydrophobicContact CE2-CG1 4.02Å; P439-I443 WeakPolarHBondContact O-CB 3.33Å; P439-I443 VanDerWaalsContact O-CD1 3.32Å; P439-I443 WeakPolarHBondContact O-CD1 3.48Å; P439-I443 WeakPolarHBondContact O-CG1 3.28Å; P439-I443 PolarHBondContact O-N 3.31Å; I443-D445 PolarHBondContact O-N 3.35Å; I443-W446 PolarHBondContact O-N 3.27Å; I443-L447 HydrophobicContact CG2-CD1 3.98Å; I443-L447 HydrophobicContact CG2-CG 4.46Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.28Å |
| 444 | Q | 96 | Very high | 94.8 | Very high | 114 Ų | 114 | 92.3 Ų | 92.3 | 53% | 0.533 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | -179 | -163.1 | -173.8 | -4 | 0 | 0 | 112.2 | K440 G441 Y442 K448 | K440-Q444 PolarHBondContact O-N 3.45Å; G441-Q444 PolarHBondContact O-N 2.8Å; Y442-Q444 VanDerWaalsContact C-N 3.29Å; Y442-Q444 PolarHBondContact O-N 2.77Å; Q444-K448 WeakPolarHBondContact O-CG 3.33Å; Q444-K448 PolarHBondContact O-N 2.79Å |
| 445 | D | 95.6 | Very high | 94.7 | Very high | 91 Ų | 91 | 92.7 Ų | 92.7 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76 | -32.4 | 177.8 | -76 | -13.4 | 0 | 0 | 0 | 113 | G441 Y442 I443 K448 S449 | G441-D445 PolarHBondContact O-N 2.63Å; Y442-D445 PolarHBondContact O-N 3.32Å; I443-D445 PolarHBondContact O-N 3.35Å; D445-K448 WeakPolarHBondContact O-CB 3.13Å; D445-K448 PolarHBondContact O-N 2.97Å; D445-K448 WeakPolarHBondContact OD1-CD 3.44Å; D445-K448 WeakPolarHBondContact OD1-CE 3.43Å; D445-K448 IonicContact OD1-NZ 2.65Å; D445-K448 PolarHBondContact OD1-NZ 3.3Å; D445-S449 PolarHBondContact O-N 2.92Å |
| 446 | W | 95.4 | Very high | 94.5 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 41% | 0.409 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 171.5 | -178.5 | 72.7 | 0 | 0 | 0 | 111.5 | Y442 I443 K448 S449 Q450 | Y442-W446 HydrophobicContact CE1-CB 4.39Å; Y442-W446 VanDerWaalsContact O-CB 3.23Å; Y442-W446 WeakPolarHBondContact O-CB 3.15Å; Y442-W446 PolarHBondContact O-N 2.96Å; I443-W446 PolarHBondContact O-N 3.27Å; W446-K448 VanDerWaalsContact C-N 3.33Å; W446-K448 PolarHBondContact O-N 2.81Å; W446-S449 PolarHBondContact O-N 3.2Å; W446-S449 VanDerWaalsContact O-N 3.14Å; W446-Q450 HydrophobicContact CD2-CG 3.91Å; W446-Q450 VanDerWaalsContact CE2-CG 3.43Å; W446-Q450 HydrophobicContact CE3-CG 4.39Å; W446-Q450 HydrophobicContact CG-CG 4.42Å; W446-Q450 HydrophobicContact CH2-CG 4.09Å; W446-Q450 HydrophobicContact CZ2-CG 3.55Å; W446-Q450 HydrophobicContact CZ3-CG 4.47Å; W446-Q450 WeakPolarHBondContact O-CG 3.29Å; W446-Q450 PolarHBondContact O-N 2.66Å |
| 447 | L | 95.1 | Very high | 94.2 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 174 | -71.7 | 169.8 | 0 | 0 | 0 | 112.3 | I443 S451 | I443-L447 HydrophobicContact CG2-CD1 3.98Å; I443-L447 HydrophobicContact CG2-CG 4.46Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 VanDerWaalsContact O-CG 3.29Å; I443-L447 WeakPolarHBondContact O-CG 3.42Å; I443-L447 PolarHBondContact O-N 3.28Å; L447-S451 VanDerWaalsContact O-CB 3.3Å; L447-S451 WeakPolarHBondContact O-CB 3.44Å; L447-S451 PolarHBondContact O-N 2.65Å |
| 448 | K | 93.2 | Very high | 94 | Very high | 105 Ų | 105 | 91.7 Ų | 91.7 | 46% | 0.457 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 172.8 | -68.1 | 168.3 | -160.2 | 159.9 | 0 | 111.8 | Q444 D445 W446 R452 | Q444-K448 WeakPolarHBondContact O-CG 3.33Å; Q444-K448 PolarHBondContact O-N 2.79Å; D445-K448 WeakPolarHBondContact O-CB 3.13Å; D445-K448 PolarHBondContact O-N 2.97Å; D445-K448 WeakPolarHBondContact OD1-CD 3.44Å; D445-K448 WeakPolarHBondContact OD1-CE 3.43Å; D445-K448 IonicContact OD1-NZ 2.65Å; D445-K448 PolarHBondContact OD1-NZ 3.3Å; W446-K448 VanDerWaalsContact C-N 3.33Å; W446-K448 PolarHBondContact O-N 2.81Å; K448-R452 WeakPolarHBondContact O-CB 3.4Å; K448-R452 PolarHBondContact O-N 3.45Å; K448-R452 VanDerWaalsContact O-N 3.1Å |
| 449 | S | 94.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 94.6 Ų | 94.6 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -58.1 | 176.5 | -159 | 0 | 0 | 0 | 0 | 110.3 | D445 W446 S451 R452 D453 | D445-S449 PolarHBondContact O-N 2.92Å; W446-S449 PolarHBondContact O-N 3.2Å; W446-S449 VanDerWaalsContact O-N 3.14Å; S449-S451 PolarHBondContact O-N 3.09Å; S449-S451 VanDerWaalsContact O-N 3.09Å; S449-R452 CarbonylContact O-C 3.6Å; S449-R452 WeakPolarHBondContact O-CA 3.48Å; S449-R452 WeakPolarHBondContact O-CB 3.21Å; S449-R452 PolarHBondContact O-N 3.35Å; S449-D453 WeakPolarHBondContact O-CB 3.29Å; S449-D453 PolarHBondContact O-N 3.01Å; S449-D453 PolarHBondContact OG-OD2 2.71Å |
| 450 | Q | 94.9 | Very high | 93.3 | Very high | 91 Ų | 91 | 95.3 Ų | 95.3 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56 | -35.4 | -178.3 | -65.6 | -57.2 | 149.6 | 0 | 0 | 112.8 | W446 L454 | W446-Q450 HydrophobicContact CD2-CG 3.91Å; W446-Q450 VanDerWaalsContact CE2-CG 3.43Å; W446-Q450 HydrophobicContact CE3-CG 4.39Å; W446-Q450 HydrophobicContact CG-CG 4.42Å; W446-Q450 HydrophobicContact CH2-CG 4.09Å; W446-Q450 HydrophobicContact CZ2-CG 3.55Å; W446-Q450 HydrophobicContact CZ3-CG 4.47Å; W446-Q450 WeakPolarHBondContact O-CG 3.29Å; W446-Q450 PolarHBondContact O-N 2.66Å; Q450-L454 WeakPolarHBondContact O-CB 3.33Å; Q450-L454 PolarHBondContact O-N 2.89Å |
| 451 | S | 91.5 | Very high | 92.8 | Very high | 59 Ų | 59 | 93.9 Ų | 93.9 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 112.7 | L447 S449 K455 | L447-S451 VanDerWaalsContact O-CB 3.3Å; L447-S451 WeakPolarHBondContact O-CB 3.44Å; L447-S451 PolarHBondContact O-N 2.65Å; S449-S451 PolarHBondContact O-N 3.09Å; S449-S451 VanDerWaalsContact O-N 3.09Å; S451-K455 WeakPolarHBondContact O-CG 3.49Å; S451-K455 PolarHBondContact O-N 2.89Å |
| 452 | R | 91.4 | Very high | 92 | Very high | 163 Ų | 163 | 94.6 Ų | 94.6 | 62% | 0.615 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 174.8 | -178.8 | -172.3 | -63.4 | 161.4 | 0.5 | 111.7 | K448 S449 L454 K455 L456 | K448-R452 WeakPolarHBondContact O-CB 3.4Å; K448-R452 PolarHBondContact O-N 3.45Å; K448-R452 VanDerWaalsContact O-N 3.1Å; S449-R452 CarbonylContact O-C 3.6Å; S449-R452 WeakPolarHBondContact O-CA 3.48Å; S449-R452 WeakPolarHBondContact O-CB 3.21Å; S449-R452 PolarHBondContact O-N 3.35Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 2.97Å; R452-K455 WeakPolarHBondContact O-CB 3.48Å; R452-K455 PolarHBondContact O-N 3.07Å; R452-L456 HydrophobicContact CG-CD1 4.15Å; R452-L456 WeakPolarHBondContact O-CG 3.36Å; R452-L456 PolarHBondContact O-N 2.9Å |
| 453 | D | 93.9 | Very high | 91.4 | Very high | 60 Ų | 60 | 94.2 Ų | 94.2 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | -176.9 | -58.2 | -37.2 | 0 | 0 | 0 | 110.2 | S449 L456 M457 | S449-D453 WeakPolarHBondContact O-CB 3.29Å; S449-D453 PolarHBondContact O-N 3.01Å; S449-D453 PolarHBondContact OG-OD2 2.71Å; D453-L456 PolarHBondContact O-N 2.94Å; D453-M457 WeakPolarHBondContact O-CB 3.47Å; D453-M457 WeakPolarHBondContact O-CG 3.42Å; D453-M457 PolarHBondContact O-N 2.85Å |
| 454 | L | 91.2 | Very high | 90.9 | Very high | 110 Ų | 110 | 94 Ų | 94 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 170.9 | 180 | 62.2 | 0 | 0 | 0 | 112.3 | Q450 R452 L456 M457 T458 | Q450-L454 WeakPolarHBondContact O-CB 3.33Å; Q450-L454 PolarHBondContact O-N 2.89Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 2.97Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 PolarHBondContact O-N 2.68Å; L454-M457 PolarHBondContact O-N 3.44Å; L454-T458 HydrophobicContact CD1-CG2 3.97Å; L454-T458 WeakPolarHBondContact O-CB 3.23Å; L454-T458 WeakPolarHBondContact O-CG2 3.4Å; L454-T458 PolarHBondContact O-N 2.82Å; L454-T458 VanDerWaalsContact O-N 3.12Å; L454-T458 PolarHBondContact O-OG1 2.73Å |
| 455 | K | 90.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 93.2 Ų | 93.2 | 21% | 0.213 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 175.6 | -76.5 | -179 | -174 | -171.9 | 0 | 111.7 | S451 R452 M457 T458 D459 V460 G462 N463 | S451-K455 WeakPolarHBondContact O-CG 3.49Å; S451-K455 PolarHBondContact O-N 2.89Å; R452-K455 WeakPolarHBondContact O-CB 3.48Å; R452-K455 PolarHBondContact O-N 3.07Å; K455-M457 PolarHBondContact O-N 2.91Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-T458 PolarHBondContact O-OG1 2.76Å; K455-D459 PolarHBondContact O-N 3.05Å; K455-D459 VanDerWaalsContact O-N 3.09Å; K455-V460 WeakPolarHBondContact CB-O 3.38Å; K455-V460 HydrophobicContact CG-CB 4.3Å; K455-V460 HydrophobicContact CG-CG1 4.29Å; K455-V460 WeakPolarHBondContact CG-O 3.26Å; K455-V460 PolarHBondContact O-N 2.79Å; K455-V460 VanDerWaalsContact O-N 3.13Å; K455-G462 PolarHBondContact NZ-O 2.83Å; K455-N463 PolarHBondContact NZ-OD1 2.95Å |
| 456 | L | 91.4 | Very high | 90 | Very high | 124 Ų | 124 | 93.7 Ų | 93.7 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -32.8 | 175.8 | -70.4 | 170.8 | 0 | 0 | 0 | 113.3 | R452 D453 L454 T458 | R452-L456 HydrophobicContact CG-CD1 4.15Å; R452-L456 WeakPolarHBondContact O-CG 3.36Å; R452-L456 PolarHBondContact O-N 2.9Å; D453-L456 PolarHBondContact O-N 2.94Å; L454-L456 VanDerWaalsContact C-N 3.33Å; L454-L456 PolarHBondContact O-N 2.68Å; L456-T458 VanDerWaalsContact C-N 3.34Å |
| 457 | M | 91 | Very high | 89.7 | Confident | 164 Ų | 164 | 91.9 Ų | 91.9 | 81% | 0.808 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -80.3 | -10.8 | 176.5 | -74.4 | -176 | 67.4 | 0 | 0 | 114.4 | D453 L454 K455 | D453-M457 WeakPolarHBondContact O-CB 3.47Å; D453-M457 WeakPolarHBondContact O-CG 3.42Å; D453-M457 PolarHBondContact O-N 2.85Å; L454-M457 PolarHBondContact O-N 3.44Å; K455-M457 PolarHBondContact O-N 2.91Å |
| 458 | T | 91.7 | Very high | 89.6 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -124 | 5 | -173.7 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | L454 K455 L456 V460 | L454-T458 HydrophobicContact CD1-CG2 3.97Å; L454-T458 WeakPolarHBondContact O-CB 3.23Å; L454-T458 WeakPolarHBondContact O-CG2 3.4Å; L454-T458 PolarHBondContact O-N 2.82Å; L454-T458 VanDerWaalsContact O-N 3.12Å; L454-T458 PolarHBondContact O-OG1 2.73Å; K455-T458 PolarHBondContact O-N 3.42Å; K455-T458 PolarHBondContact O-OG1 2.76Å; L456-T458 VanDerWaalsContact C-N 3.34Å; T458-V460 PolarHBondContact O-N 2.54Å; T458-V460 VanDerWaalsContact O-N 3.12Å; T458-V460 VanDerWaalsContact OG1-CG2 3.3Å; T458-V460 WeakPolarHBondContact OG1-CG2 3.38Å |
| 459 | D | 88.7 | Confident | 89.5 | Confident | 145 Ų | 145 | 98.7 Ų | 98.7 | 78% | 0.775 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 25.2 | -171.6 | -64.9 | -44.8 | 0 | 0 | 0 | 113.9 | K455 V461 | K455-D459 PolarHBondContact O-N 3.05Å; K455-D459 VanDerWaalsContact O-N 3.09Å; D459-V461 PolarHBondContact O-N 2.68Å; D459-V461 VanDerWaalsContact O-N 3.08Å |
| 460 | V | 87.9 | Confident | 89.4 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | trans | -79.5 | 95.1 | 179.7 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | K455 T458 | K455-V460 WeakPolarHBondContact CB-O 3.38Å; K455-V460 HydrophobicContact CG-CB 4.3Å; K455-V460 HydrophobicContact CG-CG1 4.29Å; K455-V460 WeakPolarHBondContact CG-O 3.26Å; K455-V460 PolarHBondContact O-N 2.79Å; K455-V460 VanDerWaalsContact O-N 3.13Å; T458-V460 PolarHBondContact O-N 2.54Å; T458-V460 VanDerWaalsContact O-N 3.12Å; T458-V460 VanDerWaalsContact OG1-CG2 3.3Å; T458-V460 WeakPolarHBondContact OG1-CG2 3.38Å | ||
| 461 | V | 84.8 | Confident | 89.3 | Confident | 141 Ų | 141 | 101.3 Ų | 101.3 | 86% | 0.855 | 52% | 0.519 | S | S | * | . | trans | -77.4 | 151.4 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | D459 | D459-V461 PolarHBondContact O-N 2.68Å; D459-V461 VanDerWaalsContact O-N 3.08Å | ||
| 462 | G | 78.9 | Confident | 89.2 | Confident | 32 Ų | 32 | 101.4 Ų | 101.4 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 93.8 | 179.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K455 E467 | K455-G462 PolarHBondContact NZ-O 2.83Å; G462-E467 VanDerWaalsContact CA-OE1 3.22Å; G462-E467 WeakPolarHBondContact CA-OE1 3.33Å |
| 463 | N | 85 | Confident | 89.3 | Confident | 46 Ų | 46 | 99.7 Ų | 99.7 | 25% | 0.246 | 51% | 0.507 | C | S | . | . | trans | -143.3 | 97.4 | 168.7 | -160.8 | 19.4 | 0 | 0 | 0 | 110.5 | K455 E465 E466 E467 | K455-N463 PolarHBondContact NZ-OD1 2.95Å; N463-E465 PolarHBondContact O-N 2.83Å; N463-E466 HydrophobicContact CB-CB 4.22Å; N463-E466 HydrophobicContact CB-CG 4.35Å; N463-E466 PolarHBondContact ND2-OE1 2.88Å; N463-E466 PolarHBondContact O-N 2.85Å; N463-E467 PolarHBondContact N-OE1 2.94Å; N463-E467 PolarHBondContact O-N 2.91Å | ||
| 464 | P | 85.6 | Confident | 89.2 | Confident | 78 Ų | 78 | 104 Ų | 104 | 51% | 0.506 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.9 | -25.9 | -174.8 | -30.5 | 37 | 0 | 0 | 0 | 115.5 | R468 | P464-R468 VanDerWaalsContact O-CB 3.32Å; P464-R468 WeakPolarHBondContact O-CB 3.44Å; P464-R468 WeakPolarHBondContact O-CD 3.43Å; P464-R468 WeakPolarHBondContact O-CG 3.48Å; P464-R468 PolarHBondContact O-N 2.86Å; P464-R468 VanDerWaalsContact O-N 3.1Å |
| 465 | E | 86.1 | Confident | 89.2 | Confident | 98 Ų | 98 | 103.5 Ų | 103.5 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -84.7 | -9.3 | 177.4 | -69.9 | -60.2 | 121.2 | 0 | 0 | 114.6 | N463 R468 R469 | N463-E465 PolarHBondContact O-N 2.83Å; E465-R468 VanDerWaalsContact OE1-CD 3.31Å; E465-R468 WeakPolarHBondContact OE1-CD 3.05Å; E465-R468 IonicContact OE1-CZ 3.36Å; E465-R468 IonicContact OE1-NE 2.77Å; E465-R468 IonicContact OE1-NH1 3.71Å; E465-R468 PolarHBondContact OE1-NH1 3Å; E465-R469 WeakPolarHBondContact O-CG 3.3Å; E465-R469 PolarHBondContact O-NE 2.77Å |
| 466 | E | 86.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 106.6 Ų | 106.6 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -94.8 | -45.2 | 165 | -74.1 | 159.2 | -155.1 | 0 | 0 | 109.7 | N463 R468 R469 F472 | N463-E466 HydrophobicContact CB-CB 4.22Å; N463-E466 HydrophobicContact CB-CG 4.35Å; N463-E466 PolarHBondContact ND2-OE1 2.88Å; N463-E466 PolarHBondContact O-N 2.85Å; E466-R468 PolarHBondContact O-N 2.94Å; E466-R468 VanDerWaalsContact O-N 3.08Å; E466-R469 WeakPolarHBondContact O-CB 3.23Å; E466-R469 PolarHBondContact O-N 2.85Å; E466-F472 HydrophobicContact CB-CD2 4.13Å; E466-F472 VanDerWaalsContact O-CB 3.27Å; E466-F472 WeakPolarHBondContact O-CB 3.13Å |
| 467 | E | 90 | Very high | 89.4 | Confident | 71 Ų | 71 | 106 Ų | 106 | 33% | 0.332 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.4 | -21.2 | 175.2 | -68.6 | 160.9 | -140.5 | 0 | 0 | 113.3 | G462 N463 R469 F472 Y473 | G462-E467 VanDerWaalsContact CA-OE1 3.22Å; G462-E467 WeakPolarHBondContact CA-OE1 3.33Å; N463-E467 PolarHBondContact N-OE1 2.94Å; N463-E467 PolarHBondContact O-N 2.91Å; E467-R469 VanDerWaalsContact C-N 3.31Å; E467-F472 HydrophobicContact CB-CE1 4.35Å; E467-F472 HydrophobicContact CG-CD1 4.29Å; E467-F472 HydrophobicContact CG-CE1 3.7Å; E467-F472 HydrophobicContact CG-CE2 4.16Å; E467-F472 HydrophobicContact CG-CZ 3.63Å; E467-Y473 VanDerWaalsContact O-CE2 3.31Å; E467-Y473 WeakPolarHBondContact O-CE2 3.16Å; E467-Y473 PolarHBondContact O-OH 2.82Å; E467-Y473 VanDerWaalsContact O-OH 3.11Å |
| 468 | R | 91.6 | Very high | 89.5 | Confident | 197 Ų | 197 | 99.6 Ų | 99.6 | 74% | 0.743 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.3 | 171.7 | -89.7 | 170.9 | 155.3 | -177 | -8 | 115.1 | P464 E465 E466 | P464-R468 VanDerWaalsContact O-CB 3.32Å; P464-R468 WeakPolarHBondContact O-CB 3.44Å; P464-R468 WeakPolarHBondContact O-CD 3.43Å; P464-R468 WeakPolarHBondContact O-CG 3.48Å; P464-R468 PolarHBondContact O-N 2.86Å; P464-R468 VanDerWaalsContact O-N 3.1Å; E465-R468 VanDerWaalsContact OE1-CD 3.31Å; E465-R468 WeakPolarHBondContact OE1-CD 3.05Å; E465-R468 IonicContact OE1-CZ 3.36Å; E465-R468 IonicContact OE1-NE 2.77Å; E465-R468 IonicContact OE1-NH1 3.71Å; E465-R468 PolarHBondContact OE1-NH1 3Å; E466-R468 PolarHBondContact O-N 2.94Å; E466-R468 VanDerWaalsContact O-N 3.08Å |
| 469 | R | 91.8 | Very high | 89.6 | Confident | 149 Ų | 149 | 103.6 Ų | 103.6 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -103.3 | 144.8 | -170.4 | -55.4 | -175.1 | -172.8 | -143.2 | -4.6 | 111.2 | E465 E466 E467 E471 F472 Y473 | E465-R469 WeakPolarHBondContact O-CG 3.3Å; E465-R469 PolarHBondContact O-NE 2.77Å; E466-R469 WeakPolarHBondContact O-CB 3.23Å; E466-R469 PolarHBondContact O-N 2.85Å; E467-R469 VanDerWaalsContact C-N 3.31Å; R469-E471 VanDerWaalsContact C-N 3.27Å; R469-E471 WeakPolarHBondContact CB-OE2 3.32Å; R469-E471 PolarHBondContact O-N 3.14Å; R469-F472 WeakPolarHBondContact O-CB 3.49Å; R469-F472 PolarHBondContact O-N 2.82Å; R469-Y473 WeakPolarHBondContact O-CD2 3.31Å |
| 470 | A | 92.3 | Very high | 89.8 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -64 | -35.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F472 Y473 | A470-F472 PolarHBondContact O-N 3.24Å; A470-Y473 PolarHBondContact O-N 3.38Å |
| 471 | E | 92.8 | Very high | 90.1 | Very high | 130 Ų | 130 | 99.9 Ų | 99.9 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -58.2 | -33.6 | -179.3 | -62.3 | 84.6 | 170 | 0 | 0 | 113 | R469 Y473 H474 | R469-E471 VanDerWaalsContact C-N 3.27Å; R469-E471 WeakPolarHBondContact CB-OE2 3.32Å; R469-E471 PolarHBondContact O-N 3.14Å; E471-Y473 PolarHBondContact O-N 2.91Å; E471-H474 PolarHBondContact O-N 2.86Å; E471-H474 VanDerWaalsContact O-N 3.07Å |
| 472 | F | 90.5 | Very high | 90.6 | Very high | 61 Ų | 61 | 97.9 Ų | 97.9 | 27% | 0.268 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -60 | -29.6 | 177.2 | 179.5 | -97.7 | 0 | 0 | 0 | 112.6 | E466 E467 R469 A470 W477 | E466-F472 HydrophobicContact CB-CD2 4.13Å; E466-F472 VanDerWaalsContact O-CB 3.27Å; E466-F472 WeakPolarHBondContact O-CB 3.13Å; E467-F472 HydrophobicContact CB-CE1 4.35Å; E467-F472 HydrophobicContact CG-CD1 4.29Å; E467-F472 HydrophobicContact CG-CE1 3.7Å; E467-F472 HydrophobicContact CG-CE2 4.16Å; E467-F472 HydrophobicContact CG-CZ 3.63Å; R469-F472 WeakPolarHBondContact O-CB 3.49Å; R469-F472 PolarHBondContact O-N 2.82Å; A470-F472 PolarHBondContact O-N 3.24Å; F472-W477 HydrophobicContact CD1-CH2 4.1Å; F472-W477 AromaticContact CD1-CZ2 3.87Å; F472-W477 HydrophobicContact CD1-CZ2 3.87Å; F472-W477 AromaticContact CE1-CH2 3.66Å; F472-W477 HydrophobicContact CE1-CH2 3.66Å; F472-W477 AromaticContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE2-CZ2 4.42Å; F472-W477 HydrophobicContact CG-CZ2 4.47Å; F472-W477 HydrophobicContact CZ-CH2 4.31Å; F472-W477 AromaticContact CZ-CZ2 3.82Å; F472-W477 HydrophobicContact CZ-CZ2 3.82Å; F472-W477 VanDerWaalsContact O-CZ2 3.27Å; F472-W477 WeakPolarHBondContact O-CZ2 3.46Å |
| 473 | Y | 92.2 | Very high | 91.3 | Very high | 126 Ų | 126 | 99.8 Ų | 99.8 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -91.6 | -0.5 | 179.5 | -59.8 | -77.5 | 0 | 0 | 0 | 113.8 | E467 R469 A470 E471 E475 W477 S478 | E467-Y473 VanDerWaalsContact O-CE2 3.31Å; E467-Y473 WeakPolarHBondContact O-CE2 3.16Å; E467-Y473 PolarHBondContact O-OH 2.82Å; E467-Y473 VanDerWaalsContact O-OH 3.11Å; R469-Y473 WeakPolarHBondContact O-CD2 3.31Å; A470-Y473 PolarHBondContact O-N 3.38Å; E471-Y473 PolarHBondContact O-N 2.91Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; Y473-W477 AromaticContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CE1-CH2 4.27Å; Y473-S478 WeakPolarHBondContact O-CB 3.42Å; Y473-S478 PolarHBondContact O-OG 3.23Å |
| 474 | H | 92.6 | Very high | 91.8 | Very high | 150 Ų | 150 | 105.5 Ų | 105.5 | 69% | 0.694 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -86.6 | -4.8 | 171.8 | -61.3 | 158.8 | 0 | 0 | 0 | 113 | E471 | E471-H474 PolarHBondContact O-N 2.86Å; E471-H474 VanDerWaalsContact O-N 3.07Å |
| 475 | E | 91.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 109 Ų | 109 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -65 | 151.9 | 178.1 | -75.8 | -65.3 | 148.6 | 0 | 0 | 113.2 | Y473 W477 S478 | Y473-E475 VanDerWaalsContact C-N 3.33Å; E475-W477 HydrophobicContact CB-CG 4.32Å; E475-W477 PolarHBondContact O-N 2.9Å; E475-S478 VanDerWaalsContact O-CB 3.24Å; E475-S478 WeakPolarHBondContact O-CB 3.11Å; E475-S478 PolarHBondContact O-N 2.88Å; E475-S478 PolarHBondContact O-OG 3.08Å |
| 476 | P | 93 | Very high | 92.7 | Very high | 114 Ų | 114 | 110.8 Ų | 110.8 | 74% | 0.74 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.1 | -174.7 | -26 | 35.6 | 0 | 0 | 0 | 115.8 | S478 | P476-S478 VanDerWaalsContact C-N 3.26Å; P476-S478 PolarHBondContact O-N 2.82Å |
| 477 | W | 93.8 | Very high | 93.1 | Very high | 110 Ų | 110 | 113.3 Ų | 113.3 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.3 | -18.2 | 177.8 | 61.2 | -101.6 | 0 | 0 | 0 | 113.3 | F472 Y473 E475 Q479 E480 A481 | F472-W477 HydrophobicContact CD1-CH2 4.1Å; F472-W477 AromaticContact CD1-CZ2 3.87Å; F472-W477 HydrophobicContact CD1-CZ2 3.87Å; F472-W477 AromaticContact CE1-CH2 3.66Å; F472-W477 HydrophobicContact CE1-CH2 3.66Å; F472-W477 AromaticContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE1-CZ2 3.52Å; F472-W477 HydrophobicContact CE2-CZ2 4.42Å; F472-W477 HydrophobicContact CG-CZ2 4.47Å; F472-W477 HydrophobicContact CZ-CH2 4.31Å; F472-W477 AromaticContact CZ-CZ2 3.82Å; F472-W477 HydrophobicContact CZ-CZ2 3.82Å; F472-W477 VanDerWaalsContact O-CZ2 3.27Å; F472-W477 WeakPolarHBondContact O-CZ2 3.46Å; Y473-W477 AromaticContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CD1-CH2 4Å; Y473-W477 HydrophobicContact CE1-CH2 4.27Å; E475-W477 HydrophobicContact CB-CG 4.32Å; E475-W477 PolarHBondContact O-N 2.9Å; W477-Q479 PolarHBondContact O-N 2.79Å; W477-E480 PolarHBondContact O-N 2.91Å; W477-A481 HydrophobicContact CE3-CB 3.73Å; W477-A481 HydrophobicContact CZ3-CB 4Å; W477-A481 WeakPolarHBondContact O-CB 3.49Å; W477-A481 PolarHBondContact O-N 2.97Å |
| 478 | S | 93.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 113.5 Ų | 113.5 | 22% | 0.217 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -57.1 | -50 | -173.7 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | Y473 E475 P476 E480 A481 V482 | Y473-S478 WeakPolarHBondContact O-CB 3.42Å; Y473-S478 PolarHBondContact O-OG 3.23Å; E475-S478 VanDerWaalsContact O-CB 3.24Å; E475-S478 WeakPolarHBondContact O-CB 3.11Å; E475-S478 PolarHBondContact O-N 2.88Å; E475-S478 PolarHBondContact O-OG 3.08Å; P476-S478 VanDerWaalsContact C-N 3.26Å; P476-S478 PolarHBondContact O-N 2.82Å; S478-E480 VanDerWaalsContact C-N 3.35Å; S478-E480 PolarHBondContact O-N 2.81Å; S478-A481 PolarHBondContact O-N 2.91Å; S478-V482 WeakPolarHBondContact O-CG2 3.49Å; S478-V482 PolarHBondContact O-N 2.87Å |
| 479 | Q | 92.4 | Very high | 93.5 | Very high | 155 Ų | 155 | 107.5 Ų | 107.5 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | -179.4 | -171.1 | -178.9 | 12.1 | 0 | 0 | 112.4 | W477 S483 | W477-Q479 PolarHBondContact O-N 2.79Å; Q479-S483 WeakPolarHBondContact O-CB 3.38Å; Q479-S483 PolarHBondContact O-N 3.05Å; Q479-S483 VanDerWaalsContact O-N 3.12Å; Q479-S483 PolarHBondContact O-OG 2.82Å |
| 480 | E | 93.8 | Very high | 93.7 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.9 | -41.4 | 176.4 | -158.1 | -164.6 | 157.7 | 0 | 0 | 111.2 | W477 S478 V482 S483 R484 | W477-E480 PolarHBondContact O-N 2.91Å; S478-E480 VanDerWaalsContact C-N 3.35Å; S478-E480 PolarHBondContact O-N 2.81Å; E480-V482 PolarHBondContact O-N 3.25Å; E480-S483 WeakPolarHBondContact O-CB 3.46Å; E480-S483 PolarHBondContact O-N 3.29Å; E480-S483 VanDerWaalsContact O-N 3.16Å; E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.34Å; E480-R484 IonicContact OE1-CZ 3.82Å; E480-R484 IonicContact OE1-NE 2.73Å; E480-R484 PolarHBondContact OE1-NE 3.12Å; E480-R484 IonicContact OE1-NH2 2.6Å; E480-R484 PolarHBondContact OE1-NH2 3.21Å |
| 481 | A | 93.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 105.2 Ų | 105.2 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W477 S478 S483 R484 Y485 | W477-A481 HydrophobicContact CE3-CB 3.73Å; W477-A481 HydrophobicContact CZ3-CB 4Å; W477-A481 WeakPolarHBondContact O-CB 3.49Å; W477-A481 PolarHBondContact O-N 2.97Å; S478-A481 PolarHBondContact O-N 2.91Å; A481-S483 VanDerWaalsContact C-N 3.33Å; A481-S483 PolarHBondContact O-N 2.93Å; A481-R484 PolarHBondContact O-N 3.41Å; A481-Y485 VanDerWaalsContact O-CB 3.23Å; A481-Y485 WeakPolarHBondContact O-CB 3.47Å; A481-Y485 PolarHBondContact O-N 3.06Å |
| 482 | V | 95.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 103 Ų | 103 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | S478 E480 Y485 F486 | S478-V482 WeakPolarHBondContact O-CG2 3.49Å; S478-V482 PolarHBondContact O-N 2.87Å; E480-V482 PolarHBondContact O-N 3.25Å; V482-Y485 PolarHBondContact O-N 3.04Å; V482-F486 VanDerWaalsContact O-CB 3.32Å; V482-F486 WeakPolarHBondContact O-CB 3.5Å; V482-F486 PolarHBondContact O-N 3.04Å |
| 483 | S | 94.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 107.1 Ų | 107.1 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 178 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | Q479 E480 A481 F486 Y487 | Q479-S483 WeakPolarHBondContact O-CB 3.38Å; Q479-S483 PolarHBondContact O-N 3.05Å; Q479-S483 VanDerWaalsContact O-N 3.12Å; Q479-S483 PolarHBondContact O-OG 2.82Å; E480-S483 WeakPolarHBondContact O-CB 3.46Å; E480-S483 PolarHBondContact O-N 3.29Å; E480-S483 VanDerWaalsContact O-N 3.16Å; A481-S483 VanDerWaalsContact C-N 3.33Å; A481-S483 PolarHBondContact O-N 2.93Å; S483-F486 PolarHBondContact O-N 2.96Å; S483-Y487 WeakPolarHBondContact O-CB 3.29Å; S483-Y487 PolarHBondContact O-N 3.25Å |
| 484 | R | 94.8 | Very high | 93.8 | Very high | 167 Ų | 167 | 107.7 Ų | 107.7 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 174.8 | -70.7 | 175.2 | 177.1 | -143.9 | 8.2 | 111.9 | E480 A481 S488 | E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.34Å; E480-R484 IonicContact OE1-CZ 3.82Å; E480-R484 IonicContact OE1-NE 2.73Å; E480-R484 PolarHBondContact OE1-NE 3.12Å; E480-R484 IonicContact OE1-NH2 2.6Å; E480-R484 PolarHBondContact OE1-NH2 3.21Å; A481-R484 PolarHBondContact O-N 3.41Å; R484-S488 WeakPolarHBondContact O-CB 3.19Å; R484-S488 PolarHBondContact O-N 2.88Å |
| 485 | Y | 95.6 | Very high | 93.7 | Very high | 152 Ų | 152 | 106.1 Ų | 106.1 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.3 | -49.3 | 175.4 | 176.4 | -89.2 | 0 | 0 | 0 | 111.2 | A481 V482 Y487 S488 K489 | A481-Y485 VanDerWaalsContact O-CB 3.23Å; A481-Y485 WeakPolarHBondContact O-CB 3.47Å; A481-Y485 PolarHBondContact O-N 3.06Å; V482-Y485 PolarHBondContact O-N 3.04Å; Y485-Y487 PolarHBondContact O-N 2.76Å; Y485-S488 PolarHBondContact O-N 2.86Å; Y485-K489 HydrophobicContact CE1-CB 4.39Å; Y485-K489 WeakPolarHBondContact O-CB 3.48Å; Y485-K489 PolarHBondContact O-N 3.45Å |
| 486 | F | 95.8 | Very high | 93.7 | Very high | 135 Ų | 135 | 104.3 Ų | 104.3 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | -178 | -166.8 | -111.6 | 0 | 0 | 0 | 111.8 | V482 S483 K489 I490 | V482-F486 VanDerWaalsContact O-CB 3.32Å; V482-F486 WeakPolarHBondContact O-CB 3.5Å; V482-F486 PolarHBondContact O-N 3.04Å; S483-F486 PolarHBondContact O-N 2.96Å; F486-K489 PolarHBondContact O-N 2.8Å; F486-I490 HydrophobicContact CD1-CD1 3.72Å; F486-I490 HydrophobicContact CE1-CD1 3.49Å; F486-I490 VanDerWaalsContact CE1-CD1 3.49Å; F486-I490 HydrophobicContact CE1-CG1 4.44Å; F486-I490 HydrophobicContact CG-CD1 4.46Å; F486-I490 HydrophobicContact CZ-CD1 4.05Å; F486-I490 WeakPolarHBondContact O-CG1 3.44Å; F486-I490 PolarHBondContact O-N 2.74Å |
| 487 | Y | 94.8 | Very high | 93.4 | Very high | 152 Ų | 152 | 104.2 Ų | 104.2 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.6 | -51.1 | 171.9 | 178 | -97.2 | 0 | 0 | 0 | 112 | S483 Y485 K489 I490 Q491 | S483-Y487 WeakPolarHBondContact O-CB 3.29Å; S483-Y487 PolarHBondContact O-N 3.25Å; Y485-Y487 PolarHBondContact O-N 2.76Å; Y487-K489 VanDerWaalsContact C-N 3.29Å; Y487-K489 PolarHBondContact O-N 2.72Å; Y487-I490 PolarHBondContact O-N 2.76Å; Y487-Q491 HydrophobicContact CD1-CG 4.44Å; Y487-Q491 HydrophobicContact CE1-CG 4.02Å; Y487-Q491 HydrophobicContact CE2-CG 4.4Å; Y487-Q491 WeakPolarHBondContact O-CG 3.14Å; Y487-Q491 PolarHBondContact O-N 3.45Å; Y487-Q491 PolarHBondContact OH-NE2 3.05Å |
| 488 | S | 94.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 103.5 Ų | 103.5 | 53% | 0.531 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 177.7 | -172.5 | 0 | 0 | 0 | 0 | 112 | R484 Y485 Q491 Q492 | R484-S488 WeakPolarHBondContact O-CB 3.19Å; R484-S488 PolarHBondContact O-N 2.88Å; Y485-S488 PolarHBondContact O-N 2.86Å; S488-Q491 PolarHBondContact O-N 3.14Å; S488-Q492 PolarHBondContact O-N 3.04Å |
| 489 | K | 95.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 107.5 Ų | 107.5 | 31% | 0.309 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 179.9 | -159.3 | 71.5 | -168.6 | 166.6 | 0 | 112.8 | Y485 F486 Y487 Q492 R493 | Y485-K489 HydrophobicContact CE1-CB 4.39Å; Y485-K489 WeakPolarHBondContact O-CB 3.48Å; Y485-K489 PolarHBondContact O-N 3.45Å; F486-K489 PolarHBondContact O-N 2.8Å; Y487-K489 VanDerWaalsContact C-N 3.29Å; Y487-K489 PolarHBondContact O-N 2.72Å; K489-Q492 PolarHBondContact O-N 3.06Å; K489-R493 WeakPolarHBondContact O-CG 3.39Å; K489-R493 PolarHBondContact O-N 3.26Å |
| 490 | I | 94.7 | Very high | 92.1 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 171 | -74.1 | 169.3 | 0 | 0 | 0 | 110.5 | F486 Y487 Q492 R493 R494 | F486-I490 HydrophobicContact CD1-CD1 3.72Å; F486-I490 HydrophobicContact CE1-CD1 3.49Å; F486-I490 VanDerWaalsContact CE1-CD1 3.49Å; F486-I490 HydrophobicContact CE1-CG1 4.44Å; F486-I490 HydrophobicContact CG-CD1 4.46Å; F486-I490 HydrophobicContact CZ-CD1 4.05Å; F486-I490 WeakPolarHBondContact O-CG1 3.44Å; F486-I490 PolarHBondContact O-N 2.74Å; Y487-I490 PolarHBondContact O-N 2.76Å; I490-Q492 VanDerWaalsContact C-N 3.31Å; I490-Q492 PolarHBondContact O-N 2.9Å; I490-R493 PolarHBondContact O-N 3.28Å; I490-R494 WeakPolarHBondContact O-CB 3.36Å; I490-R494 PolarHBondContact O-N 2.96Å |
| 491 | Q | 92.7 | Very high | 91.3 | Very high | 77 Ų | 77 | 102.8 Ų | 102.8 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 178.8 | -61.5 | -61.8 | -4.9 | 0 | 0 | 111.7 | Y487 S488 R494 Q495 | Y487-Q491 HydrophobicContact CD1-CG 4.44Å; Y487-Q491 HydrophobicContact CE1-CG 4.02Å; Y487-Q491 HydrophobicContact CE2-CG 4.4Å; Y487-Q491 WeakPolarHBondContact O-CG 3.14Å; Y487-Q491 PolarHBondContact O-N 3.45Å; Y487-Q491 PolarHBondContact OH-NE2 3.05Å; S488-Q491 PolarHBondContact O-N 3.14Å; Q491-R494 PolarHBondContact O-N 3.13Å; Q491-Q495 WeakPolarHBondContact O-CB 3.33Å; Q491-Q495 PolarHBondContact O-N 2.85Å |
| 492 | Q | 93.6 | Very high | 90 | Very high | 83 Ų | 83 | 103.7 Ų | 103.7 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -51.6 | 172.1 | -172.1 | -172.4 | -1.3 | 0 | 0 | 111.7 | S488 K489 I490 R494 Q495 E496 | S488-Q492 PolarHBondContact O-N 3.04Å; K489-Q492 PolarHBondContact O-N 3.06Å; I490-Q492 VanDerWaalsContact C-N 3.31Å; I490-Q492 PolarHBondContact O-N 2.9Å; Q492-R494 VanDerWaalsContact C-N 3.29Å; Q492-R494 PolarHBondContact O-N 3.21Å; Q492-Q495 PolarHBondContact O-N 2.88Å; Q492-Q495 VanDerWaalsContact O-N 3.17Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.37Å; Q492-E496 PolarHBondContact NE2-OE1 2.92Å; Q492-E496 WeakPolarHBondContact O-CG 3.38Å; Q492-E496 PolarHBondContact O-N 2.73Å |
| 493 | R | 92.8 | Very high | 88.2 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -36 | 179.4 | -73.6 | -50.6 | -154.2 | -177.1 | 7 | 112.7 | K489 I490 E496 L497 | K489-R493 WeakPolarHBondContact O-CG 3.39Å; K489-R493 PolarHBondContact O-N 3.26Å; I490-R493 PolarHBondContact O-N 3.28Å; R493-E496 WeakPolarHBondContact CD-OE2 3.24Å; R493-E496 IonicContact CZ-OE2 2.71Å; R493-E496 IonicContact NE-OE2 3.83Å; R493-E496 IonicContact NH1-OE2 2.63Å; R493-E496 PolarHBondContact NH1-OE2 3.11Å; R493-L497 WeakPolarHBondContact O-CB 3.49Å; R493-L497 WeakPolarHBondContact O-CG 3.01Å; R493-L497 PolarHBondContact O-N 3.08Å |
| 494 | R | 90.9 | Very high | 86.4 | Confident | 138 Ų | 138 | 110.6 Ų | 110.6 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -47.2 | 173.2 | -179.7 | -179.6 | 169.2 | 172.2 | -0.7 | 111 | I490 Q491 Q492 E496 L497 E498 | I490-R494 WeakPolarHBondContact O-CB 3.36Å; I490-R494 PolarHBondContact O-N 2.96Å; Q491-R494 PolarHBondContact O-N 3.13Å; Q492-R494 VanDerWaalsContact C-N 3.29Å; Q492-R494 PolarHBondContact O-N 3.21Å; R494-E496 PolarHBondContact O-N 3.21Å; R494-L497 PolarHBondContact O-N 3.34Å; R494-E498 HydrophobicContact CG-CG 4.39Å; R494-E498 IonicContact CZ-OE1 2.68Å; R494-E498 IonicContact NE-OE1 3.64Å; R494-E498 PolarHBondContact NE-OE1 3.19Å; R494-E498 IonicContact NE-OE2 3.95Å; R494-E498 IonicContact NH2-OE1 3.86Å; R494-E498 PolarHBondContact NH2-OE1 3.32Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 WeakPolarHBondContact O-CG 3.48Å; R494-E498 PolarHBondContact O-N 2.83Å |
| 495 | Q | 90.2 | Very high | 84.3 | Confident | 117 Ų | 117 | 109.6 Ų | 109.6 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 178.3 | -174.5 | 169.8 | 44.2 | 0 | 0 | 112.3 | Q491 Q492 E498 Q499 | Q491-Q495 WeakPolarHBondContact O-CB 3.33Å; Q491-Q495 PolarHBondContact O-N 2.85Å; Q492-Q495 PolarHBondContact O-N 2.88Å; Q492-Q495 VanDerWaalsContact O-N 3.17Å; Q495-E498 PolarHBondContact O-N 3.41Å; Q495-Q499 WeakPolarHBondContact O-CB 3.47Å; Q495-Q499 VanDerWaalsContact O-CG 3.28Å; Q495-Q499 WeakPolarHBondContact O-CG 3.25Å; Q495-Q499 PolarHBondContact O-N 3.4Å |
| 496 | E | 91.8 | Very high | 82 | Confident | 63 Ų | 63 | 110.8 Ų | 110.8 | 29% | 0.294 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 172.8 | -71.8 | 167.6 | -170.7 | 0 | 0 | 111.7 | Q492 R493 R494 A500 | Q492-E496 WeakPolarHBondContact CG-OE1 3.37Å; Q492-E496 PolarHBondContact NE2-OE1 2.92Å; Q492-E496 WeakPolarHBondContact O-CG 3.38Å; Q492-E496 PolarHBondContact O-N 2.73Å; R493-E496 WeakPolarHBondContact CD-OE2 3.24Å; R493-E496 IonicContact CZ-OE2 2.71Å; R493-E496 IonicContact NE-OE2 3.83Å; R493-E496 IonicContact NH1-OE2 2.63Å; R493-E496 PolarHBondContact NH1-OE2 3.11Å; R494-E496 PolarHBondContact O-N 3.21Å; E496-A500 WeakPolarHBondContact O-CB 3.43Å; E496-A500 PolarHBondContact O-N 2.97Å |
| 497 | L | 87.8 | Confident | 81.3 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.5 | -44.5 | 176.2 | -75.2 | 166.3 | 0 | 0 | 0 | 112.7 | R493 R494 Q499 A500 L501 | R493-L497 WeakPolarHBondContact O-CB 3.49Å; R493-L497 WeakPolarHBondContact O-CG 3.01Å; R493-L497 PolarHBondContact O-N 3.08Å; R494-L497 PolarHBondContact O-N 3.34Å; L497-Q499 VanDerWaalsContact C-N 3.3Å; L497-Q499 PolarHBondContact O-N 3.43Å; L497-A500 PolarHBondContact O-N 2.94Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 VanDerWaalsContact O-CG 3.27Å; L497-L501 WeakPolarHBondContact O-CG 3.16Å; L497-L501 PolarHBondContact O-N 3.46Å |
| 498 | E | 86 | Confident | 80.6 | Confident | 96 Ų | 96 | 107.3 Ų | 107.3 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 177.4 | -74.1 | 173.5 | 165.4 | 0 | 0 | 111.3 | R494 Q495 A502 | R494-E498 HydrophobicContact CG-CG 4.39Å; R494-E498 IonicContact CZ-OE1 2.68Å; R494-E498 IonicContact NE-OE1 3.64Å; R494-E498 PolarHBondContact NE-OE1 3.19Å; R494-E498 IonicContact NE-OE2 3.95Å; R494-E498 IonicContact NH2-OE1 3.86Å; R494-E498 PolarHBondContact NH2-OE1 3.32Å; R494-E498 WeakPolarHBondContact O-CB 3.39Å; R494-E498 WeakPolarHBondContact O-CG 3.48Å; R494-E498 PolarHBondContact O-N 2.83Å; Q495-E498 PolarHBondContact O-N 3.41Å; E498-A502 VanDerWaalsContact O-CB 3.3Å; E498-A502 WeakPolarHBondContact O-CB 3.31Å; E498-A502 PolarHBondContact O-N 3.39Å |
| 499 | Q | 83.4 | Confident | 79.8 | Confident | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67 | -46.2 | 171.7 | -73.8 | 175.3 | -1.6 | 0 | 0 | 112.4 | Q495 L497 L501 A502 V503 | Q495-Q499 WeakPolarHBondContact O-CB 3.47Å; Q495-Q499 VanDerWaalsContact O-CG 3.28Å; Q495-Q499 WeakPolarHBondContact O-CG 3.25Å; Q495-Q499 PolarHBondContact O-N 3.4Å; L497-Q499 VanDerWaalsContact C-N 3.3Å; L497-Q499 PolarHBondContact O-N 3.43Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.2Å; Q499-A502 PolarHBondContact O-N 2.84Å; Q499-V503 WeakPolarHBondContact O-CG2 3.14Å; Q499-V503 PolarHBondContact O-N 3.4Å |
| 500 | A | 81.8 | Confident | 78.9 | Confident | 57 Ų | 57 | 111.3 Ų | 111.3 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65 | -28.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | E496 L497 | E496-A500 WeakPolarHBondContact O-CB 3.43Å; E496-A500 PolarHBondContact O-N 2.97Å; L497-A500 PolarHBondContact O-N 2.94Å |
| 501 | L | 76.9 | Confident | 77.9 | Confident | 104 Ų | 104 | 112.9 Ų | 112.9 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.1 | -37.4 | 173.6 | -70 | 168.8 | 0 | 0 | 0 | 112.2 | L497 Q499 V503 R504 | L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 VanDerWaalsContact O-CG 3.27Å; L497-L501 WeakPolarHBondContact O-CG 3.16Å; L497-L501 PolarHBondContact O-N 3.46Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.2Å; L501-V503 VanDerWaalsContact C-N 3.35Å; L501-V503 PolarHBondContact O-N 2.85Å; L501-R504 PolarHBondContact O-N 3.45Å; L501-R504 VanDerWaalsContact O-N 3.13Å |
| 502 | A | 66.1 | Low | 76.9 | Confident | 58 Ų | 58 | 115.3 Ų | 115.3 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61 | -42.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E498 Q499 R504 N505 | E498-A502 VanDerWaalsContact O-CB 3.3Å; E498-A502 WeakPolarHBondContact O-CB 3.31Å; E498-A502 PolarHBondContact O-N 3.39Å; Q499-A502 PolarHBondContact O-N 2.84Å; A502-R504 PolarHBondContact O-N 3.44Å; A502-R504 VanDerWaalsContact O-N 3.15Å; A502-N505 PolarHBondContact O-N 3.43Å |
| 503 | V | 58.6 | Low | 75.7 | Confident | 109 Ų | 109 | 117.6 Ų | 117.6 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -8.6 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 113.2 | Q499 L501 | Q499-V503 WeakPolarHBondContact O-CG2 3.14Å; Q499-V503 PolarHBondContact O-N 3.4Å; L501-V503 VanDerWaalsContact C-N 3.35Å; L501-V503 PolarHBondContact O-N 2.85Å |
| 504 | R | 55.5 | Low | 74.4 | Confident | 206 Ų | 206 | 115.2 Ų | 115.2 | 78% | 0.777 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -6.3 | 171.6 | -82.8 | -176.9 | 166.3 | -171.4 | -3.6 | 114.5 | L501 A502 | L501-R504 PolarHBondContact O-N 3.45Å; L501-R504 VanDerWaalsContact O-N 3.13Å; A502-R504 PolarHBondContact O-N 3.44Å; A502-R504 VanDerWaalsContact O-N 3.15Å |
| 505 | N | 52.1 | Low | 73 | Confident | 146 Ų | 146 | 113.3 Ų | 113.3 | 78% | 0.781 | 60% | 0.601 | S | S | * | * | trans | -113.3 | 25 | -178.2 | -72.3 | -16.1 | 0 | 0 | 0 | 112.5 | A502 | A502-N505 PolarHBondContact O-N 3.43Š| ||
| 506 | T | 46.4 | Very low | 71.5 | Confident | 177 Ų | 177 | 113 Ų | 113 | 100% | 1.086 | 61% | 0.606 | S | S | * | * | trans | -136 | 0 | 172.7 | 56.7 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 506 of 506 residues in 204.1 ms
(Link to these results)