| 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 | 40.2 | Very low | 38.9 | Very low | 229 Ų | 229 | 157.4 Ų | 157.4 | 100% | 1.128 | 83% | 0.827 | S | S | * | * | 0 | 159.6 | 0 | -85 | 161.2 | 59.6 | 0 | 0 | 110.1 | |||||
| 2 | K | 41.4 | Very low | 39.6 | Very low | 169 Ų | 169 | 151.8 Ų | 151.8 | 74% | 0.735 | 81% | 0.811 | S | S | * | * | trans | 9.6 | 121 | 158 | -61.2 | 177.4 | 176.9 | 180 | 0 | 118.2 | ||||
| 3 | R | 39.7 | Very low | 40.1 | Very low | 258 Ų | 258 | 156.4 Ų | 156.4 | 97% | 0.974 | 81% | 0.81 | S | S | * | * | trans | -79.4 | 144.9 | 135 | -78.7 | -174.8 | 171.9 | -168.9 | -3.1 | 108 | ||||
| 4 | Q | 37.3 | Very low | 40.5 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -139.2 | 110.8 | 173.6 | -169.8 | 162.7 | -22.3 | 0 | 0 | 107.9 | ||||
| 5 | A | 36.9 | Very low | 41.3 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -95.8 | 127.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | G | 35.2 | Very low | 41.9 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -63.8 | 143.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 7 | R | 36 | Very low | 42.5 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | -131.2 | 97 | -175.2 | -173.5 | -175.7 | -170.8 | 176.8 | 5 | 109.9 | ||||
| 8 | E | 34.9 | Very low | 43.1 | Very low | 191 Ų | 191 | 144 Ų | 144 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -64.3 | 150.7 | 177.3 | -61.5 | -175.1 | 159.9 | 0 | 0 | 111.9 | ||||
| 9 | S | 37.2 | Very low | 43.9 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -110.8 | 111.7 | -167.1 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 10 | S | 41.6 | Very low | 44.3 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 60% | 0.601 | 73% | 0.727 | S | S | * | * | trans | -62.4 | 137.3 | -179.9 | -41.6 | 0 | 0 | 0 | 0 | 112.5 | S12 R13 | S10-S12 PolarHBondContact O-N 3.46Å; S10-S12 VanDerWaalsContact O-N 3.12Å; S10-R13 PolarHBondContact O-N 3.01Å | ||
| 11 | P | 47.1 | Very low | 44.4 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -26.2 | -169.8 | 23.3 | -34.5 | 0 | 0 | 0 | 114.2 | R13 A14 | P11-R13 PolarHBondContact O-N 2.56Å; P11-A14 PolarHBondContact O-N 3.29Å |
| 12 | S | 47.8 | Very low | 45 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -53.7 | -28 | 177.9 | -34.2 | 0 | 0 | 0 | 0 | 113.5 | S10 A16 | S10-S12 PolarHBondContact O-N 3.46Å; S10-S12 VanDerWaalsContact O-N 3.12Å; S12-A16 PolarHBondContact O-N 2.97Å |
| 13 | R | 46.3 | Very low | 45.2 | Very low | 212 Ų | 212 | 136.6 Ų | 136.6 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -80.1 | -22.9 | -179.2 | -160.1 | 173.4 | -174.7 | -173.4 | 0.5 | 113.5 | S10 P11 K17 | S10-R13 PolarHBondContact O-N 3.01Å; P11-R13 PolarHBondContact O-N 2.56Å; R13-K17 PolarHBondContact O-N 3.41Å |
| 14 | A | 46 | Very low | 45.4 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -74.7 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P11 K17 R18 | P11-A14 PolarHBondContact O-N 3.29Å; A14-K17 WeakPolarHBondContact O-CB 3.36Å; A14-K17 PolarHBondContact O-N 2.89Å; A14-K17 VanDerWaalsContact O-N 3.13Å; A14-R18 PolarHBondContact O-N 3.49Å |
| 15 | I | 52.2 | Low | 45.6 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 57% | 0.569 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.5 | -47 | 177.8 | -60.6 | 172.6 | 0 | 0 | 0 | 110.4 | K17 R18 I19 | I15-K17 PolarHBondContact O-N 3.01Å; I15-R18 PolarHBondContact O-N 2.87Å; I15-I19 HydrophobicContact CG2-CD1 4.05Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 3.32Å; I15-I19 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 50.7 | Low | 45.9 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 50% | 0.504 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.7 | -22 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S12 R20 | S12-A16 PolarHBondContact O-N 2.97Å; A16-R20 WeakPolarHBondContact O-CB 3.17Å |
| 17 | K | 52.4 | Low | 46.4 | Very low | 120 Ų | 120 | 130 Ų | 130 | 52% | 0.522 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -80.4 | -46.7 | 174.3 | -165.9 | 174.4 | 175.9 | -74.4 | 0 | 111.2 | R13 A14 I15 I19 R20 E21 | R13-K17 PolarHBondContact O-N 3.41Å; A14-K17 WeakPolarHBondContact O-CB 3.36Å; A14-K17 PolarHBondContact O-N 2.89Å; A14-K17 VanDerWaalsContact O-N 3.13Å; I15-K17 PolarHBondContact O-N 3.01Å; K17-I19 PolarHBondContact O-N 2.65Å; K17-R20 PolarHBondContact O-N 2.85Å; K17-E21 WeakPolarHBondContact CE-OE1 3.25Å; K17-E21 VanDerWaalsContact NZ-CD 3.25Å; K17-E21 IonicContact NZ-OE1 2.58Å; K17-E21 PolarHBondContact NZ-OE1 3.24Å; K17-E21 IonicContact NZ-OE2 3.14Å; K17-E21 PolarHBondContact NZ-OE2 2.93Å; K17-E21 VanDerWaalsContact NZ-OE2 3.14Å; K17-E21 WeakPolarHBondContact O-CB 3.44Å; K17-E21 WeakPolarHBondContact O-CG 3.29Å; K17-E21 PolarHBondContact O-N 3.48Å |
| 18 | R | 52.2 | Low | 46.5 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.7 | -43.6 | 176.2 | -84.6 | -172.3 | 172.7 | 177.7 | -1.2 | 113.4 | A14 I15 E21 R22 | A14-R18 PolarHBondContact O-N 3.49Å; I15-R18 PolarHBondContact O-N 2.87Å; R18-E21 PolarHBondContact O-N 3.15Å; R18-R22 PolarHBondContact O-N 3.38Å |
| 19 | I | 59.5 | Low | 46.8 | Very low | 97 Ų | 97 | 131 Ų | 131 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.6 | -48.1 | 178.6 | -65.2 | 168.8 | 0 | 0 | 0 | 110.2 | I15 K17 E21 R22 E23 | I15-I19 HydrophobicContact CG2-CD1 4.05Å; I15-I19 WeakPolarHBondContact O-CG1 3.39Å; I15-I19 PolarHBondContact O-N 3.32Å; I15-I19 VanDerWaalsContact O-N 3.13Å; K17-I19 PolarHBondContact O-N 2.65Å; I19-E21 VanDerWaalsContact C-N 3.29Å; I19-E21 PolarHBondContact O-N 3.47Å; I19-R22 PolarHBondContact O-N 2.71Å; I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 3.13Å |
| 20 | R | 51.2 | Low | 47.1 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.8 | -19.4 | -177.9 | -160.1 | 173.8 | -170 | 177.5 | 3.9 | 114.1 | A16 K17 R24 | A16-R20 WeakPolarHBondContact O-CB 3.17Å; K17-R20 PolarHBondContact O-N 2.85Å; R20-R24 WeakPolarHBondContact O-CD 3.14Å; R20-R24 VanDerWaalsContact O-CG 3.31Å; R20-R24 WeakPolarHBondContact O-CG 3.25Å; R20-R24 PolarHBondContact O-N 3.42Å |
| 21 | E | 47.5 | Very low | 47.2 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 43% | 0.43 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -78.4 | -42.9 | 169.3 | -76.4 | 172.2 | 157.6 | 0 | 0 | 110.5 | K17 R18 I19 E23 R24 E25 | K17-E21 WeakPolarHBondContact CE-OE1 3.25Å; K17-E21 VanDerWaalsContact NZ-CD 3.25Å; K17-E21 IonicContact NZ-OE1 2.58Å; K17-E21 PolarHBondContact NZ-OE1 3.24Å; K17-E21 IonicContact NZ-OE2 3.14Å; K17-E21 PolarHBondContact NZ-OE2 2.93Å; K17-E21 VanDerWaalsContact NZ-OE2 3.14Å; K17-E21 WeakPolarHBondContact O-CB 3.44Å; K17-E21 WeakPolarHBondContact O-CG 3.29Å; K17-E21 PolarHBondContact O-N 3.48Å; R18-E21 PolarHBondContact O-N 3.15Å; I19-E21 VanDerWaalsContact C-N 3.29Å; I19-E21 PolarHBondContact O-N 3.47Å; E21-E23 PolarHBondContact O-N 2.97Å; E21-R24 PolarHBondContact O-N 2.87Å; E21-R24 VanDerWaalsContact O-N 3.11Å; E21-E25 WeakPolarHBondContact O-CB 3.47Å; E21-E25 PolarHBondContact O-N 2.95Å |
| 22 | R | 51.3 | Low | 46.9 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.6 | -42.8 | 175.2 | -155.6 | -179.7 | -162.2 | -155 | 4.5 | 112.7 | R18 I19 R24 E25 S26 | R18-R22 PolarHBondContact O-N 3.38Å; I19-R22 PolarHBondContact O-N 2.71Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.05Å; R22-E25 PolarHBondContact O-N 2.94Å; R22-S26 PolarHBondContact O-N 3.35Å; R22-S26 PolarHBondContact O-OG 3.3Å; R22-S26 VanDerWaalsContact O-OG 3.13Å |
| 23 | E | 46.4 | Very low | 46.8 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 57% | 0.565 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.7 | -36.4 | 174.3 | -71.4 | 174.2 | 149.8 | 0 | 0 | 112.7 | I19 E21 S26 A27 | I19-E23 WeakPolarHBondContact O-CG 3.32Å; I19-E23 PolarHBondContact O-N 3.13Å; E21-E23 PolarHBondContact O-N 2.97Å; E23-S26 WeakPolarHBondContact CA-OG 3.44Å; E23-S26 PolarHBondContact O-OG 3Å; E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 2.84Å; E23-A27 VanDerWaalsContact O-N 3.1Å |
| 24 | R | 43.8 | Very low | 46.8 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 64% | 0.642 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.6 | -24.9 | 177.4 | -81.5 | 176.2 | 158.7 | -167.2 | -8.7 | 113.6 | R20 E21 R22 R28 | R20-R24 WeakPolarHBondContact O-CD 3.14Å; R20-R24 VanDerWaalsContact O-CG 3.31Å; R20-R24 WeakPolarHBondContact O-CG 3.25Å; R20-R24 PolarHBondContact O-N 3.42Å; E21-R24 PolarHBondContact O-N 2.87Å; E21-R24 VanDerWaalsContact O-N 3.11Å; R22-R24 VanDerWaalsContact C-N 3.31Å; R22-R24 PolarHBondContact O-N 3.05Å; R24-R28 WeakPolarHBondContact O-CG 3.19Å |
| 25 | E | 41.7 | Very low | 46.7 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 66% | 0.659 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -80.6 | -37.9 | 177.5 | -164.9 | 164.4 | -127.8 | 0 | 0 | 111.1 | E21 R22 R28 | E21-E25 WeakPolarHBondContact O-CB 3.47Å; E21-E25 PolarHBondContact O-N 2.95Å; R22-E25 PolarHBondContact O-N 2.94Å; E25-R28 PolarHBondContact O-N 3.3Å |
| 26 | S | 43.2 | Very low | 45.9 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -61.4 | -43.8 | 165.7 | 42.6 | 0 | 0 | 0 | 0 | 112 | R22 E23 R28 R29 | R22-S26 PolarHBondContact O-N 3.35Å; R22-S26 PolarHBondContact O-OG 3.3Å; R22-S26 VanDerWaalsContact O-OG 3.13Å; E23-S26 WeakPolarHBondContact CA-OG 3.44Å; E23-S26 PolarHBondContact O-OG 3Å; S26-R28 PolarHBondContact O-N 3.08Å; S26-R29 PolarHBondContact O-N 3.42Å; S26-R29 VanDerWaalsContact O-N 3.15Å |
| 27 | A | 44.6 | Very low | 45.3 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 66% | 0.661 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 11.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E23 | E23-A27 WeakPolarHBondContact O-CB 3.35Å; E23-A27 PolarHBondContact O-N 2.84Å; E23-A27 VanDerWaalsContact O-N 3.1Å |
| 28 | R | 39.3 | Very low | 44.4 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 10.2 | 172.3 | -81.6 | -177.2 | 167.5 | -116.6 | -6.2 | 113.4 | R24 E25 S26 | R24-R28 WeakPolarHBondContact O-CG 3.19Å; E25-R28 PolarHBondContact O-N 3.3Å; S26-R28 PolarHBondContact O-N 3.08Å |
| 29 | R | 41.1 | Very low | 43.3 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -107.5 | -4.5 | 174.3 | -77.4 | -170 | 169.1 | -153.6 | -2.6 | 114.8 | S26 | S26-R29 PolarHBondContact O-N 3.42Å; S26-R29 VanDerWaalsContact O-N 3.15Å |
| 30 | E | 43.9 | Very low | 42 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -113.4 | 56.7 | 177.9 | -67.2 | -169.2 | 126.7 | 0 | 0 | 112.2 | ||
| 31 | E | 43.4 | Very low | 41.1 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -156.3 | 89.6 | 169.4 | -140.2 | 171.3 | -140.2 | 0 | 0 | 111.9 | ||||
| 32 | L | 41.2 | Very low | 40.1 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -172.6 | 151.2 | 159 | -99.5 | 169.4 | 0 | 0 | 0 | 108.4 | ||||
| 33 | P | 44.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 160.5 | -165 | 35.4 | -36.4 | 0 | 0 | 0 | 115 | ||
| 34 | P | 47.6 | Very low | 38 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 151.9 | 174.8 | 33.2 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 35 | P | 42.6 | Very low | 37.1 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 157.9 | 173.3 | 33.6 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 36 | P | 36.6 | Very low | 36.3 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 144.7 | -180 | 31.4 | -35.3 | 0 | 0 | 0 | 113 | A38 | P36-A38 PolarHBondContact O-N 2.96Å; P36-A38 VanDerWaalsContact O-N 3.12Å |
| 37 | L | 37.2 | Very low | 35.5 | Very low | 187 Ų | 187 | 155 Ų | 155 | 98% | 0.979 | 82% | 0.817 | S | S | * | * | trans | -82.5 | 84.8 | 177.1 | -76.1 | 171.6 | 0 | 0 | 0 | 112.3 | ||||
| 38 | A | 32.8 | Very low | 34.7 | Very low | 81 Ų | 81 | 157.3 Ų | 157.3 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | trans | -144.5 | 146.3 | 161 | 0 | 0 | 0 | 0 | 0 | 110 | P36 | P36-A38 PolarHBondContact O-N 2.96Å; P36-A38 VanDerWaalsContact O-N 3.12Å | ||
| 39 | L | 29 | Very low | 34.1 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 63.7 | 84 | 179.6 | -53.5 | 176.7 | 0 | 0 | 0 | 116.4 | ||
| 40 | L | 33 | Very low | 33.4 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | -173.9 | 60 | 128.1 | -102.1 | 167.9 | 0 | 0 | 0 | 113 | |||||
| 41 | L | 31.6 | Very low | 32.6 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 99% | 0.99 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -112.3 | 56.1 | 157.8 | -84.1 | 175.6 | 0 | 0 | 0 | 109.1 | ||
| 42 | A | 28.3 | Very low | 31.8 | Very low | 85 Ų | 85 | 155.5 Ų | 155.5 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | -149.8 | 21.3 | -169 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 43 | E | 25.2 | Very low | 31.2 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -153.5 | 94.4 | 166.4 | -131.4 | 156.7 | -153.1 | 0 | 0 | 116.2 | ||||
| 44 | S | 26.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -155.2 | 61.2 | 154.8 | 65.3 | 0 | 0 | 0 | 0 | 109.9 | S46 | S44-S46 PolarHBondContact O-N 2.94Š| ||
| 45 | R | 26.4 | Very low | 29.6 | Very low | 237 Ų | 237 | 157.3 Ų | 157.3 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 109.5 | 179 | -86.1 | -177.3 | 168.1 | -176.6 | -1.9 | 111.7 | ||||
| 46 | S | 24.9 | Very low | 29.1 | Very low | 100 Ų | 100 | 162.2 Ų | 162.2 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 55 | 104.5 | 132.1 | -54.2 | 0 | 0 | 0 | 0 | 120.7 | S44 | S44-S46 PolarHBondContact O-N 2.94Š| ||
| 47 | Y | 26.5 | Very low | 28.5 | Very low | 223 Ų | 223 | 163.6 Ų | 163.6 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -166.4 | 152.7 | 139.8 | -91.9 | -26.6 | 0 | 0 | 0 | 111.2 | ||||
| 48 | H | 27.9 | Very low | 28.1 | Very low | 129 Ų | 129 | 163.2 Ų | 163.2 | 60% | 0.597 | 78% | 0.782 | S | S | * | * | cis | -144.9 | 91.6 | -12.4 | -161.7 | 102.5 | 0 | 0 | 0 | 112.7 | ||||
| 49 | R | 25.3 | Very low | 28.6 | Very low | 207 Ų | 207 | 163.8 Ų | 163.8 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 46.2 | 117.7 | 131 | -178.8 | -160.6 | -164.7 | -165 | 6.8 | 119.8 | ||||
| 50 | R | 26.8 | Very low | 28.5 | Very low | 238 Ų | 238 | 166.4 Ų | 166.4 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | 175.1 | 145.1 | 139.2 | -97.3 | 162 | -176 | -153.2 | 2.6 | 108.1 | ||||
| 51 | S | 27.5 | Very low | 28.4 | Very low | 96 Ų | 96 | 166.3 Ų | 166.3 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -171.4 | 164.5 | -12.7 | -108.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 52 | R | 27.2 | Very low | 28.3 | Very low | 240 Ų | 240 | 166.9 Ų | 166.9 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | 70.3 | 141.2 | 168.9 | -64.8 | 169.4 | 179.6 | 172.3 | -1.4 | 115.8 | ||||
| 53 | S | 27.4 | Very low | 28.4 | Very low | 99 Ų | 99 | 168.8 Ų | 168.8 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | cis | -157.2 | 160.5 | -6.2 | -96.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 54 | R | 29.4 | Very low | 28.5 | Very low | 210 Ų | 210 | 167.2 Ų | 167.2 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | -3.4 | 148.4 | 140.8 | -48.9 | 172.3 | 84.7 | 150.2 | 7.9 | 116.4 | ||||
| 55 | E | 29.9 | Very low | 28.5 | Very low | 125 Ų | 125 | 171.4 Ų | 171.4 | 58% | 0.584 | 75% | 0.75 | S | S | * | * | cis | -158 | -171.6 | 0.7 | -119.6 | 171.8 | -110.8 | 0 | 0 | 105.9 | ||||
| 56 | R | 30.8 | Very low | 28.5 | Very low | 218 Ų | 218 | 164.5 Ų | 164.5 | 82% | 0.823 | 74% | 0.743 | S | S | * | * | cis | -148.4 | -126.5 | 14.6 | -151.2 | 163.3 | -168.1 | -129.9 | -7.2 | 112.1 | ||||
| 57 | E | 24.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 164 Ų | 164 | 71% | 0.71 | 75% | 0.745 | S | S | * | * | trans | -145.7 | 139.4 | -167.4 | -76.8 | -159.5 | 99.5 | 0 | 0 | 113.5 | ||||
| 58 | K | 27.6 | Very low | 28.4 | Very low | 179 Ų | 179 | 158 Ų | 158 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | 40.6 | 170.6 | 125.1 | -76.3 | 177.1 | -175 | 161.1 | 0 | 122.4 | |||||
| 59 | P | 44.8 | Very low | 28.3 | Very low | 94 Ų | 94 | 160.2 Ų | 160.2 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | cis | -145.9 | -168.5 | -33.8 | 41.4 | -23.6 | 0 | 0 | 0 | 114.9 | ||||
| 60 | R | 27 | Very low | 28.4 | Very low | 223 Ų | 223 | 158.6 Ų | 158.6 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | 70.4 | 148.3 | 156.4 | -68.1 | 173.2 | 177.4 | 168.6 | -2.7 | 115.8 | ||||
| 61 | L | 29.8 | Very low | 28.4 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | cis | -151.2 | -160.2 | -7 | -112.2 | 165.5 | 0 | 0 | 0 | 107.1 | ||||
| 62 | R | 29.1 | Very low | 28.3 | Very low | 201 Ų | 201 | 157.5 Ų | 157.5 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | cis | -153 | -179.6 | 11.8 | -147.3 | -161.7 | 154.4 | 136.9 | 3.7 | 112 | ||||
| 63 | E | 30.8 | Very low | 28.3 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | trans | -43.8 | 166.9 | 158.2 | -72.7 | 147.9 | -178.8 | 0 | 0 | 115.5 | ||||
| 64 | E | 27.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 159 Ų | 159 | 67% | 0.673 | 75% | 0.753 | S | S | * | * | cis | -148.3 | 169.3 | 5.3 | -125.3 | 179.3 | 120.3 | 0 | 0 | 106.5 | ||||
| 65 | R | 28 | Very low | 28 | Very low | 211 Ų | 211 | 157.1 Ų | 157.1 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | cis | -157.5 | 140.8 | 30 | -148 | 165.4 | -144.1 | -174.7 | 2.5 | 112.7 | ||||
| 66 | A | 25.5 | Very low | 27.7 | Very low | 92 Ų | 92 | 160 Ų | 160 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -88.1 | 175.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 67 | A | 25.2 | Very low | 27.6 | Very low | 89 Ų | 89 | 157.3 Ų | 157.3 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | cis | -171.5 | 163.7 | -32.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 68 | A | 24 | Very low | 27.8 | Very low | 97 Ų | 97 | 155 Ų | 155 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 61.4 | 148.7 | 167 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 69 | L | 27 | Very low | 27.8 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | -168.9 | 136.7 | 116.8 | -101 | 167 | 0 | 0 | 0 | 109.4 | |||||
| 70 | E | 26.7 | Very low | 26.9 | Very low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -92.3 | 175.4 | 168.7 | -68 | -171.3 | 109.6 | 0 | 0 | 110.8 | ||||
| 71 | L | 25.9 | Very low | 26.9 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 73.7 | 122.4 | 173.6 | -46.4 | 171.6 | 0 | 0 | 0 | 113.6 | ||||
| 72 | H | 26.7 | Very low | 26.8 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | -157.6 | 142.8 | 70.2 | -111.5 | -102.8 | 0 | 0 | 0 | 115.6 | |||||
| 73 | H | 26.3 | Very low | 27 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | trans | 29 | 107.5 | 142.1 | -77.4 | 77.6 | 0 | 0 | 0 | 122.4 | ||||
| 74 | R | 25.5 | Very low | 27.4 | Very low | 218 Ų | 218 | 149.9 Ų | 149.9 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | 41.6 | 120.7 | 125.3 | -82.3 | -175.6 | 159.7 | 165.4 | -5.5 | 121.6 | |||||
| 75 | H | 25.6 | Very low | 27.6 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | 49.4 | 123.6 | 130.8 | -84.1 | -71.4 | 0 | 0 | 0 | 121.6 | ||||
| 76 | E | 24 | Very low | 27.5 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -134 | -174.6 | 134.8 | -85.7 | -123.1 | 113.7 | 0 | 0 | 109.7 | ||||
| 77 | L | 28.5 | Very low | 27.7 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 168.5 | -158.2 | -78.5 | 159.7 | 0 | 0 | 0 | 115.7 | ||||
| 78 | S | 27.8 | Very low | 27.8 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -54.5 | 155.5 | 174 | -47.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 79 | L | 27.5 | Very low | 27.9 | Very low | 153 Ų | 153 | 158.4 Ų | 158.4 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | 179.7 | 154.7 | 108.5 | -94.4 | 167.5 | 0 | 0 | 0 | 114.2 | |||||
| 80 | L | 26.6 | Very low | 28.3 | Very low | 163 Ų | 163 | 155.7 Ų | 155.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | 56.2 | 119.8 | 153.1 | -63.6 | 163 | 0 | 0 | 0 | 120.5 | ||||
| 81 | G | 27.4 | Very low | 28.5 | Very low | 80 Ų | 80 | 153.3 Ų | 153.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -177.1 | 51.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 82 | R | 28.3 | Very low | 28.8 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -70.7 | 159.6 | 166.4 | -96.5 | -178.9 | 173.4 | -173.8 | -1.9 | 109.9 | ||||
| 83 | P | 31.9 | Very low | 28.9 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | cis | -142.8 | -144.6 | 43.8 | 47 | -24.9 | 0 | 0 | 0 | 113.6 | ||||
| 84 | P | 39.2 | Very low | 29.1 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 69% | 0.688 | 83% | 0.827 | S | S | * | * | -133.1 | 157.9 | -121.1 | 34.2 | -10 | 0 | 0 | 0 | 119.6 | |||||
| 85 | L | 31.1 | Very low | 29.6 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | 51.9 | 100.9 | 144.3 | -64.4 | 171.5 | 0 | 0 | 0 | 120.6 | ||||
| 86 | R | 27.4 | Very low | 30.1 | Very low | 244 Ų | 244 | 142.9 Ų | 142.9 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -152.1 | 145.6 | 131.4 | -127.4 | 174.7 | 179.9 | -177.9 | -1.3 | 111.5 | ||||
| 87 | S | 29.3 | Very low | 30.8 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | 27.8 | 101.2 | 166.8 | 52.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 88 | A | 27.6 | Very low | 32 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 89 | E | 25.7 | Very low | 33.7 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 148.9 | 161.2 | -64.2 | -178.3 | 114.2 | 0 | 0 | 110.7 | ||
| 90 | P | 34.4 | Very low | 35.9 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 131.7 | 161.1 | 30.4 | -31.7 | 0 | 0 | 0 | 109.5 | ||
| 91 | P | 32 | Very low | 38.6 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144.2 | -173 | 27.1 | -35 | 0 | 0 | 0 | 112.7 | A93 | P91-A93 PolarHBondContact O-N 2.61Š|
| 92 | A | 32 | Very low | 41.3 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 93 | A | 29.7 | Very low | 44 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 136.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P91 | P91-A93 PolarHBondContact O-N 2.61Š|
| 94 | R | 30.6 | Very low | 46.5 | Very low | 242 Ų | 242 | 109.3 Ų | 109.3 | 91% | 0.913 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 144.4 | 175.1 | -69.8 | 178.6 | 173.6 | 176.4 | -3.5 | 110.8 | G96 | R94-G96 PolarHBondContact O-N 3.06Š|
| 95 | P | 36 | Very low | 48.7 | Very low | 120 Ų | 120 | 104.3 Ų | 104.3 | 78% | 0.779 | 60% | 0.596 | S | S | * | * | trans | -75.4 | 85.8 | -172.3 | 30.6 | -36.3 | 0 | 0 | 0 | 112.9 | T97 | P95-T97 PolarHBondContact O-N 3.17Š| ||
| 96 | G | 34.3 | Very low | 50.9 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 72% | 0.722 | 56% | 0.558 | S | S | * | * | trans | -82.6 | 85.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | R94 L98 | R94-G96 PolarHBondContact O-N 3.06Å; G96-L98 PolarHBondContact O-N 3.07Å | ||
| 97 | T | 38.7 | Very low | 53.1 | Low | 106 Ų | 106 | 88.8 Ų | 88.8 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | trans | -69.9 | 99.9 | -175.5 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | P95 E99 | P95-T97 PolarHBondContact O-N 3.17Å; T97-E99 PolarHBondContact O-N 2.83Å | ||
| 98 | L | 53.7 | Low | 55.3 | Low | 121 Ų | 121 | 84 Ų | 84 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | trans | -57.2 | 120.3 | 166.9 | -71.7 | 160.4 | 0 | 0 | 0 | 109.5 | G96 Y179 | G96-L98 PolarHBondContact O-N 3.07Å; L98-Y179 HydrophobicContact CB-CD1 3.59Å; L98-Y179 HydrophobicContact CB-CE1 3.4Å; L98-Y179 HydrophobicContact CD1-CE1 4.42Å; L98-Y179 WeakPolarHBondContact O-CE1 3.41Å | ||
| 99 | E | 64.5 | Low | 57 | Low | 130 Ų | 130 | 79.6 Ų | 79.6 | 61% | 0.607 | 46% | 0.463 | S | S | * | . | trans | -80.1 | 141.3 | 175.8 | -69.2 | 175.1 | 178.3 | 0 | 0 | 111.3 | T97 P152 | T97-E99 PolarHBondContact O-N 2.83Å; E99-P152 HydrophobicContact CB-CB 4.5Å | ||
| 100 | Y | 74.3 | Confident | 58.8 | Low | 15 Ų | 15 | 74.3 Ų | 74.3 | 6% | 0.059 | 45% | 0.446 | C | S | . | . | trans | -136.8 | 132.8 | 175.8 | 53.9 | -78.8 | 0 | 0 | 0 | 108.4 | L103 A155 K156 R159 P177 Y179 | Y100-L103 HydrophobicContact CD2-CD2 3.75Å; Y100-L103 HydrophobicContact CE2-CD2 3.75Å; Y100-A155 HydrophobicContact CD2-CB 4.43Å; Y100-A155 WeakPolarHBondContact O-CB 3.19Å; Y100-K156 HydrophobicContact CE1-CG 3.92Å; Y100-K156 HydrophobicContact CE2-CG 4.29Å; Y100-R159 HydrophobicContact CE2-CB 4.3Å; Y100-R159 WeakPolarHBondContact OH-CD 3.09Å; Y100-R159 PolarHBondContact OH-NH1 3.24Å; Y100-P177 HydrophobicContact CD1-CB 3.96Å; Y100-P177 HydrophobicContact CD2-CB 3.55Å; Y100-P177 HydrophobicContact CE1-CB 4.19Å; Y100-P177 HydrophobicContact CE2-CB 3.79Å; Y100-P177 HydrophobicContact CG-CB 3.62Å; Y100-Y179 HydrophobicContact CD1-CD1 4.29Å; Y100-Y179 AromaticContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CE1-CE1 4.38Å; Y100-Y179 HydrophobicContact CG-CE1 4.19Å | ||
| 101 | K | 81.8 | Confident | 60 | Low | 102 Ų | 102 | 76.7 Ų | 76.7 | 44% | 0.443 | 45% | 0.447 | S | S | . | . | trans | -111.6 | -1.7 | 175.5 | 66.4 | 166.5 | -169.4 | 169.6 | 0 | 113 | N148 F149 | K101-N148 WeakPolarHBondContact CE-OD1 3.27Å; K101-F149 PolarHBondContact O-N 3.35Å | ||
| 102 | T | 84.9 | Confident | 61.8 | Low | 15 Ų | 15 | 72.9 Ų | 72.9 | 9% | 0.092 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.5 | -174.4 | -46.4 | 0 | 0 | 0 | 0 | 108.3 | V147 N148 M178 | T102-V147 CarbonylContact C-O 3.57Å; T102-V147 WeakPolarHBondContact CA-O 3.46Å; T102-N148 HydrophobicContact CG2-CB 4.22Å; T102-N148 PolarHBondContact OG1-OD1 2.97Å; T102-M178 HydrophobicContact CG2-CB 4.44Å; T102-M178 WeakPolarHBondContact O-CB 3.41Å; T102-M178 PolarHBondContact O-N 2.95Å |
| 103 | L | 84.8 | Confident | 63.9 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.7 | 172.7 | -56.1 | -179.5 | 0 | 0 | 0 | 108.7 | Y100 F125 Y146 V147 F149 A158 R159 I175 E176 | Y100-L103 HydrophobicContact CD2-CD2 3.75Å; Y100-L103 HydrophobicContact CE2-CD2 3.75Å; L103-F125 HydrophobicContact CD1-CE1 4.44Å; L103-Y146 WeakPolarHBondContact O-CA 3.44Å; L103-V147 HydrophobicContact CB-CB 4.44Å; L103-V147 PolarHBondContact N-O 2.93Å; L103-V147 PolarHBondContact O-N 3.34Å; L103-F149 HydrophobicContact CD1-CE2 3.63Å; L103-F149 HydrophobicContact CD1-CZ 4.11Å; L103-F149 HydrophobicContact CG-CD2 4.49Å; L103-F149 HydrophobicContact CG-CE2 3.86Å; L103-A158 HydrophobicContact CD1-CB 4.26Å; L103-R159 HydrophobicContact CD1-CB 4.12Å; L103-R159 HydrophobicContact CD2-CB 4.01Å; L103-R159 HydrophobicContact CD2-CG 4.4Å; L103-I175 HydrophobicContact CB-CG2 4.02Å; L103-I175 HydrophobicContact CD1-CG2 3.86Å; L103-I175 HydrophobicContact CD2-CG2 4.3Å; L103-I175 HydrophobicContact CG-CG2 4.28Å; L103-E176 WeakPolarHBondContact CA-O 3.16Å |
| 104 | L | 84.2 | Confident | 66.2 | Low | 14 Ų | 14 | 69.2 Ų | 69.2 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.1 | 166.1 | 166.2 | 61.1 | 0 | 0 | 0 | 107.8 | I144 Y146 I175 E176 M178 | L104-I144 HydrophobicContact CD1-CB 3.81Å; L104-I144 HydrophobicContact CD1-CD1 3.8Å; L104-I144 HydrophobicContact CD1-CG1 4.23Å; L104-I144 HydrophobicContact CD1-CG2 4.29Å; L104-Y146 HydrophobicContact CD1-CD1 4.2Å; L104-Y146 HydrophobicContact CD1-CE1 3.8Å; L104-I175 CarbonylContact O-C 3.56Å; L104-I175 WeakPolarHBondContact O-CA 3.21Å; L104-E176 HydrophobicContact CB-CB 4.35Å; L104-E176 PolarHBondContact N-O 3.42Å; L104-E176 PolarHBondContact O-N 2.84Å; L104-M178 HydrophobicContact CB-CE 4.49Å; L104-M178 HydrophobicContact CD2-CE 4.46Å |
| 105 | I | 85.8 | Confident | 68.6 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123 | 175.9 | -55.9 | -174.5 | 0 | 0 | 0 | 108.2 | L108 L121 F125 I144 A145 V147 L166 L173 K174 I175 | I105-L108 HydrophobicContact CG2-CD2 4.3Å; I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CG2-CD2 4.48Å; I105-F125 HydrophobicContact CD1-CD2 4.18Å; I105-F125 HydrophobicContact CD1-CE2 3.32Å; I105-F125 HydrophobicContact CD1-CZ 3.8Å; I105-I144 CarbonylContact O-C 3.55Å; I105-I144 WeakPolarHBondContact O-CA 3.48Å; I105-A145 HydrophobicContact CB-CB 4.36Å; I105-A145 PolarHBondContact N-O 3.46Å; I105-A145 PolarHBondContact O-N 2.89Å; I105-V147 HydrophobicContact CD1-CB 4.45Å; I105-V147 HydrophobicContact CD1-CG2 3.47Å; I105-V147 VanDerWaalsContact CD1-CG2 3.47Å; I105-V147 HydrophobicContact CG1-CG2 4.15Å; I105-L166 HydrophobicContact CD1-CD2 4.02Å; I105-L166 HydrophobicContact CG2-CD2 4.23Å; I105-L173 HydrophobicContact CG2-CB 3.91Å; I105-L173 HydrophobicContact CG2-CD1 3.94Å; I105-L173 HydrophobicContact CG2-CG 4.47Å; I105-K174 WeakPolarHBondContact CA-O 3.41Å; I105-I175 HydrophobicContact CG1-CG1 4.43Å |
| 106 | S | 78.1 | Confident | 70.7 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 171.1 | -176.4 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | K174 | S106-K174 PolarHBondContact N-O 3.48Å; S106-K174 PolarHBondContact O-N 2.84Å; S106-K174 PolarHBondContact OG-O 3.07Å |
| 107 | N | 73 | Confident | 72.9 | Confident | 77 Ų | 77 | 61 Ų | 61 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | trans | 68.7 | 30.1 | -167 | -164.7 | 34.1 | 0 | 0 | 0 | 114.7 | G109 Q172 L173 | N107-G109 PolarHBondContact O-N 3.44Å; N107-Q172 PolarHBondContact ND2-O 2.77Å; N107-L173 VanDerWaalsContact O-CD2 3.25Å; N107-L173 WeakPolarHBondContact O-CD2 3.46Å | ||
| 108 | L | 75.8 | Confident | 74.9 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | trans | -65.7 | 127.7 | 171.8 | -60.9 | 171.4 | 0 | 0 | 0 | 109.9 | I105 V117 L121 L135 R143 A145 L168 L173 | I105-L108 HydrophobicContact CG2-CD2 4.3Å; L108-V117 HydrophobicContact CD1-CG1 4.01Å; L108-V117 HydrophobicContact CD2-CG1 3.86Å; L108-V117 HydrophobicContact CG-CG1 4.47Å; L108-L121 HydrophobicContact CD2-CD1 4.36Å; L108-L135 HydrophobicContact CD1-CD2 3.56Å; L108-R143 HydrophobicContact CB-CB 4.21Å; L108-A145 HydrophobicContact CD1-CB 3.9Å; L108-L168 HydrophobicContact CD2-CD2 4.38Å; L108-L173 HydrophobicContact CD2-CD1 3.75Å; L108-L173 HydrophobicContact CD2-CD2 3.88Å; L108-L173 HydrophobicContact CD2-CG 4.47Å | ||
| 109 | G | 62.9 | Low | 76.2 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | trans | -72.5 | 129.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N107 Q111 V112 | N107-G109 PolarHBondContact O-N 3.44Å; G109-Q111 PolarHBondContact O-N 2.92Å; G109-V112 PolarHBondContact O-N 3.36Å | ||
| 110 | S | 63.6 | Low | 77 | Confident | 69 Ų | 69 | 54 Ų | 54 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.7 | 177.5 | 47.7 | 0 | 0 | 0 | 0 | 115.2 | R143 | S110-R143 PolarHBondContact O-NH2 2.9Š|
| 111 | Q | 59 | Low | 77.3 | Confident | 166 Ų | 166 | 53.5 Ų | 53.5 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -16.7 | -173.1 | -31.3 | -59.8 | 61.3 | 0 | 0 | 112.8 | G109 | G109-Q111 PolarHBondContact O-N 2.92Š|
| 112 | V | 70.4 | Confident | 77.4 | Confident | 45 Ų | 45 | 51.8 Ų | 51.8 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -95.7 | 148.2 | -178.2 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | G109 D116 V117 R143 | G109-V112 PolarHBondContact O-N 3.36Å; V112-D116 HydrophobicContact CG1-CB 3.67Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG1-CG2 3.77Å; V112-R143 PolarHBondContact O-NH1 3.16Å |
| 113 | S | 75.8 | Confident | 77.3 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 34% | 0.343 | 30% | 0.301 | S | S | . | . | trans | -69.4 | 153 | 173.9 | 85.9 | 0 | 0 | 0 | 0 | 110.5 | E115 D116 V117 | S113-E115 PolarHBondContact O-N 2.8Å; S113-D116 VanDerWaalsContact CB-OD2 3.29Å; S113-D116 WeakPolarHBondContact CB-OD2 3.35Å; S113-D116 PolarHBondContact O-N 2.63Å; S113-D116 WeakPolarHBondContact OG-CB 3.17Å; S113-D116 PolarHBondContact OG-N 3.46Å; S113-D116 PolarHBondContact OG-OD2 3.35Å; S113-V117 VanDerWaalsContact O-CG2 3.25Å; S113-V117 WeakPolarHBondContact O-CG2 3.42Å; S113-V117 PolarHBondContact O-N 2.81Å; S113-V117 VanDerWaalsContact O-N 3.15Å | ||
| 114 | D | 78.1 | Confident | 77 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.2 | -26.4 | 179.1 | -74.5 | -21.7 | 0 | 0 | 0 | 111.6 | E118 L135 R143 | D114-E118 PolarHBondContact O-N 2.83Å; D114-L135 HydrophobicContact CB-CD1 3.46Å; D114-L135 VanDerWaalsContact CB-CD1 3.46Å; D114-L135 WeakPolarHBondContact O-CD1 3.16Å; D114-R143 WeakPolarHBondContact OD1-CD 3.42Å; D114-R143 IonicContact OD1-CZ 2.65Å; D114-R143 IonicContact OD1-NE 3.36Å; D114-R143 PolarHBondContact OD1-NE 3.47Å; D114-R143 IonicContact OD1-NH1 3.47Å; D114-R143 PolarHBondContact OD1-NH1 2.84Å |
| 115 | E | 80.8 | Confident | 76.9 | Confident | 160 Ų | 160 | 57.8 Ų | 57.8 | 75% | 0.748 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.9 | -50.3 | 173.7 | -61.9 | 179.8 | 169.2 | 0 | 0 | 111.4 | S113 V117 E118 D119 | S113-E115 PolarHBondContact O-N 2.8Å; E115-V117 PolarHBondContact O-N 2.81Å; E115-E118 PolarHBondContact O-N 3.13Å; E115-E118 VanDerWaalsContact O-N 3.17Å; E115-D119 PolarHBondContact O-N 3.35Å |
| 116 | D | 79.9 | Confident | 76.8 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.4 | -36.1 | 175.3 | -67.4 | -59.2 | 0 | 0 | 0 | 111.9 | V112 S113 A120 | V112-D116 HydrophobicContact CG1-CB 3.67Å; S113-D116 VanDerWaalsContact CB-OD2 3.29Å; S113-D116 WeakPolarHBondContact CB-OD2 3.35Å; S113-D116 PolarHBondContact O-N 2.63Å; S113-D116 WeakPolarHBondContact OG-CB 3.17Å; S113-D116 PolarHBondContact OG-N 3.46Å; S113-D116 PolarHBondContact OG-OD2 3.35Å; D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 3.15Å |
| 117 | V | 80.4 | Confident | 76.9 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.4 | -45.4 | 177.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | L108 V112 S113 E115 L121 L135 L168 | L108-V117 HydrophobicContact CD1-CG1 4.01Å; L108-V117 HydrophobicContact CD2-CG1 3.86Å; L108-V117 HydrophobicContact CG-CG1 4.47Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG1-CG2 3.77Å; S113-V117 VanDerWaalsContact O-CG2 3.25Å; S113-V117 WeakPolarHBondContact O-CG2 3.42Å; S113-V117 PolarHBondContact O-N 2.81Å; S113-V117 VanDerWaalsContact O-N 3.15Å; E115-V117 PolarHBondContact O-N 2.81Å; V117-L121 HydrophobicContact CG1-CD1 3.83Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CB 3.03Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 2.8Å; V117-L121 VanDerWaalsContact O-N 3.07Å; V117-L135 HydrophobicContact CB-CD1 4.32Å; V117-L135 HydrophobicContact CG1-CD1 4.26Å; V117-L135 HydrophobicContact CG1-CD2 3.91Å; V117-L135 HydrophobicContact CG1-CG 4.48Å; V117-L168 HydrophobicContact CG1-CD2 4.39Å; V117-L168 HydrophobicContact CG2-CD2 3.93Å |
| 118 | E | 80.6 | Confident | 77.2 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.9 | -71 | -160.7 | 153.1 | 0 | 0 | 111.6 | D114 E115 L121 F122 V133 K134 L135 | D114-E118 PolarHBondContact O-N 2.83Å; E115-E118 PolarHBondContact O-N 3.13Å; E115-E118 VanDerWaalsContact O-N 3.17Å; E118-L121 PolarHBondContact O-N 3.29Å; E118-F122 WeakPolarHBondContact O-CB 3.41Å; E118-F122 PolarHBondContact O-N 2.85Å; E118-V133 HydrophobicContact CB-CG1 4.44Å; E118-V133 HydrophobicContact CG-CG1 4.11Å; E118-K134 WeakPolarHBondContact OE1-CA 3.3Å; E118-L135 HydrophobicContact CG-CB 4.44Å; E118-L135 HydrophobicContact CG-CD1 3.66Å; E118-L135 HydrophobicContact CG-CG 3.7Å; E118-L135 PolarHBondContact OE1-N 2.88Å |
| 119 | D | 81.6 | Confident | 77.3 | Confident | 95 Ų | 95 | 68.3 Ų | 68.3 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 178.7 | -104.6 | -23.8 | 0 | 0 | 0 | 112.5 | E115 F122 H123 | E115-D119 PolarHBondContact O-N 3.35Å; D119-F122 PolarHBondContact O-N 2.85Å; D119-H123 WeakPolarHBondContact O-CB 3.07Å; D119-H123 PolarHBondContact O-N 2.73Å; D119-H123 PolarHBondContact O-ND1 3.22Å; D119-H123 IonicContact OD1-CE1 2.68Å; D119-H123 IonicContact OD1-ND1 2.91Å |
| 120 | A | 81.3 | Confident | 78 | Confident | 38 Ų | 38 | 72 Ų | 72 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D116 E124 L168 | D116-A120 WeakPolarHBondContact O-CB 3.31Å; D116-A120 PolarHBondContact O-N 3.15Å; A120-E124 VanDerWaalsContact O-CB 3.27Å; A120-E124 WeakPolarHBondContact O-CB 3.35Å; A120-E124 PolarHBondContact O-N 3.21Å; A120-E124 VanDerWaalsContact O-N 3.07Å; A120-L168 HydrophobicContact CB-CD1 3.63Å |
| 121 | L | 81.5 | Confident | 79.1 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176.1 | -67.4 | 175.6 | 0 | 0 | 0 | 111.6 | I105 L108 V117 E118 E124 F125 V133 A145 L166 L173 | I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CG2-CD2 4.48Å; L108-L121 HydrophobicContact CD2-CD1 4.36Å; V117-L121 HydrophobicContact CG1-CD1 3.83Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CB 3.03Å; V117-L121 WeakPolarHBondContact O-CG 3.44Å; V117-L121 PolarHBondContact O-N 2.8Å; V117-L121 VanDerWaalsContact O-N 3.07Å; E118-L121 PolarHBondContact O-N 3.29Å; L121-E124 PolarHBondContact O-N 2.83Å; L121-F125 HydrophobicContact CD2-CD2 4.44Å; L121-F125 HydrophobicContact CD2-CE2 4.04Å; L121-F125 WeakPolarHBondContact O-CB 3.15Å; L121-F125 VanDerWaalsContact O-CD2 3.3Å; L121-F125 WeakPolarHBondContact O-CD2 3.19Å; L121-F125 PolarHBondContact O-N 2.89Å; L121-V133 HydrophobicContact CB-CG1 4.19Å; L121-V133 HydrophobicContact CB-CG2 4.05Å; L121-V133 HydrophobicContact CD1-CG1 4.23Å; L121-A145 HydrophobicContact CD1-CB 3.42Å; L121-A145 VanDerWaalsContact CD1-CB 3.42Å; L121-L166 HydrophobicContact CD2-CD2 4.12Å; L121-L173 HydrophobicContact CD2-CD1 4.2Å |
| 122 | F | 83.4 | Confident | 80.3 | Confident | 66 Ų | 66 | 63.9 Ų | 63.9 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.6 | -50.3 | 177.5 | 179.5 | -109.5 | 0 | 0 | 0 | 111.2 | E118 D119 E124 F125 K126 V131 V133 | E118-F122 WeakPolarHBondContact O-CB 3.41Å; E118-F122 PolarHBondContact O-N 2.85Å; D119-F122 PolarHBondContact O-N 2.85Å; F122-E124 VanDerWaalsContact C-N 3.3Å; F122-E124 PolarHBondContact O-N 2.87Å; F122-F125 PolarHBondContact O-N 3.41Å; F122-K126 HydrophobicContact CD1-CD 4.48Å; F122-K126 HydrophobicContact CE1-CD 3.89Å; F122-K126 HydrophobicContact CZ-CD 3.9Å; F122-K126 WeakPolarHBondContact O-CB 3.43Å; F122-K126 PolarHBondContact O-N 2.81Å; F122-V131 WeakPolarHBondContact CE2-O 3.31Å; F122-V133 HydrophobicContact CB-CG2 4.03Å |
| 123 | H | 81.4 | Confident | 81.1 | Confident | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.9 | -31 | 179 | -73.6 | 89.3 | 0 | 0 | 0 | 113.4 | D119 K127 | D119-H123 WeakPolarHBondContact O-CB 3.07Å; D119-H123 PolarHBondContact O-N 2.73Å; D119-H123 PolarHBondContact O-ND1 3.22Å; D119-H123 IonicContact OD1-CE1 2.68Å; D119-H123 IonicContact OD1-ND1 2.91Å; H123-K127 VanDerWaalsContact O-CE 3.31Å; H123-K127 WeakPolarHBondContact O-CE 3.47Å |
| 124 | E | 79.7 | Confident | 81.5 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -80.2 | -36.5 | 178.7 | -170.6 | 64.8 | 177 | 0 | 0 | 113.1 | A120 L121 F122 K127 K162 L166 | A120-E124 VanDerWaalsContact O-CB 3.27Å; A120-E124 WeakPolarHBondContact O-CB 3.35Å; A120-E124 PolarHBondContact O-N 3.21Å; A120-E124 VanDerWaalsContact O-N 3.07Å; L121-E124 PolarHBondContact O-N 2.83Å; F122-E124 VanDerWaalsContact C-N 3.3Å; F122-E124 PolarHBondContact O-N 2.87Å; E124-K127 IonicContact OE2-NZ 3.84Å; E124-K127 PolarHBondContact OE2-NZ 3.03Å; E124-K162 WeakPolarHBondContact OE1-CE 3.32Å; E124-K162 IonicContact OE1-NZ 3.21Å; E124-K162 PolarHBondContact OE1-NZ 3Å; E124-L166 HydrophobicContact CG-CD1 3.82Å |
| 125 | F | 81.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -90.2 | -23.9 | -178.8 | -74.6 | -66.4 | 0 | 0 | 0 | 115.1 | L103 I105 L121 F122 K127 F128 V131 V147 F149 A158 K162 L166 I175 | L103-F125 HydrophobicContact CD1-CE1 4.44Å; I105-F125 HydrophobicContact CD1-CD2 4.18Å; I105-F125 HydrophobicContact CD1-CE2 3.32Å; I105-F125 HydrophobicContact CD1-CZ 3.8Å; L121-F125 HydrophobicContact CD2-CD2 4.44Å; L121-F125 HydrophobicContact CD2-CE2 4.04Å; L121-F125 WeakPolarHBondContact O-CB 3.15Å; L121-F125 VanDerWaalsContact O-CD2 3.3Å; L121-F125 WeakPolarHBondContact O-CD2 3.19Å; L121-F125 PolarHBondContact O-N 2.89Å; F122-F125 PolarHBondContact O-N 3.41Å; F125-K127 PolarHBondContact O-N 3.18Å; F125-F128 HydrophobicContact CD1-CD2 4.3Å; F125-F128 PolarHBondContact O-N 3.28Å; F125-V131 HydrophobicContact CB-CG1 4.17Å; F125-V131 HydrophobicContact CB-CG2 4.32Å; F125-V147 HydrophobicContact CB-CG1 3.92Å; F125-V147 HydrophobicContact CD2-CG1 4.06Å; F125-V147 HydrophobicContact CD2-CG2 4.15Å; F125-V147 HydrophobicContact CE2-CG2 4.46Å; F125-V147 HydrophobicContact CG-CG1 3.96Å; F125-F149 HydrophobicContact CB-CE1 4.41Å; F125-F149 HydrophobicContact CB-CZ 4.05Å; F125-F149 AromaticContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CG-CZ 4.14Å; F125-A158 HydrophobicContact CD1-CB 3.82Å; F125-A158 HydrophobicContact CE1-CB 4.01Å; F125-K162 HydrophobicContact CE1-CB 4.38Å; F125-K162 HydrophobicContact CE1-CG 4.14Å; F125-L166 HydrophobicContact CE2-CD1 4.17Å; F125-L166 HydrophobicContact CE2-CD2 3.83Å; F125-L166 HydrophobicContact CZ-CD1 4.1Å; F125-L166 HydrophobicContact CZ-CD2 3.85Å; F125-I175 HydrophobicContact CZ-CD1 4.02Å |
| 126 | K | 84.3 | Confident | 81.8 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -16.4 | 170.8 | -179.7 | 175.5 | 178.5 | -179 | 0 | 113.7 | F122 F128 G129 | F122-K126 HydrophobicContact CD1-CD 4.48Å; F122-K126 HydrophobicContact CE1-CD 3.89Å; F122-K126 HydrophobicContact CZ-CD 3.9Å; F122-K126 WeakPolarHBondContact O-CB 3.43Å; F122-K126 PolarHBondContact O-N 2.81Å; K126-F128 PolarHBondContact O-N 3.13Å; K126-G129 WeakPolarHBondContact CA-O 3.48Å |
| 127 | K | 80.4 | Confident | 81.6 | Confident | 141 Ų | 141 | 61.2 Ų | 61.2 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -21 | 173.6 | -63.4 | 171.9 | -175.5 | 170.7 | 0 | 113.4 | H123 E124 F125 | H123-K127 VanDerWaalsContact O-CE 3.31Å; H123-K127 WeakPolarHBondContact O-CE 3.47Å; E124-K127 IonicContact OE2-NZ 3.84Å; E124-K127 PolarHBondContact OE2-NZ 3.03Å; F125-K127 PolarHBondContact O-N 3.18Å |
| 128 | F | 78.5 | Confident | 81.1 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -9.3 | -176.5 | -57.9 | -80.6 | 0 | 0 | 0 | 113.8 | F125 K126 F149 D154 E157 A158 A161 K162 | F125-F128 HydrophobicContact CD1-CD2 4.3Å; F125-F128 PolarHBondContact O-N 3.28Å; K126-F128 PolarHBondContact O-N 3.13Å; F128-F149 HydrophobicContact CB-CE1 4.31Å; F128-D154 WeakPolarHBondContact O-CB 3.37Å; F128-E157 HydrophobicContact CD1-CG 4.05Å; F128-A158 HydrophobicContact CB-CB 3.91Å; F128-A158 HydrophobicContact CD2-CB 3.89Å; F128-A158 HydrophobicContact CG-CB 3.86Å; F128-A161 HydrophobicContact CE1-CB 3.48Å; F128-A161 VanDerWaalsContact CE1-CB 3.48Å; F128-A161 HydrophobicContact CZ-CB 3.59Å; F128-K162 HydrophobicContact CE2-CG 4.17Å; F128-K162 HydrophobicContact CZ-CG 4.35Å |
| 129 | G | 79.3 | Confident | 80 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 165.9 | -173.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K126 | K126-G129 WeakPolarHBondContact CA-O 3.48Š|
| 130 | D | 78 | Confident | 79 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -82.7 | 119.2 | 175.1 | -172.7 | 10.1 | 0 | 0 | 0 | 109.2 | R150 | D130-R150 HydrophobicContact CB-CB 3.85Å; D130-R150 HydrophobicContact CB-CG 4.5Å; D130-R150 WeakPolarHBondContact O-CB 3.49Å; D130-R150 PolarHBondContact O-N 3.39Å; D130-R150 WeakPolarHBondContact OD2-CD 3.37Å; D130-R150 IonicContact OD2-CZ 2.71Å; D130-R150 IonicContact OD2-NE 3.54Å; D130-R150 IonicContact OD2-NH1 2.61Å; D130-R150 PolarHBondContact OD2-NH1 3.01Å |
| 131 | V | 86.5 | Confident | 78.2 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.7 | -158.6 | 167.2 | 0 | 0 | 0 | 0 | 111.9 | F122 F125 V133 V147 F149 | F122-V131 WeakPolarHBondContact CE2-O 3.31Å; F125-V131 HydrophobicContact CB-CG1 4.17Å; F125-V131 HydrophobicContact CB-CG2 4.32Å; V131-V133 HydrophobicContact CG1-CG2 4.29Å; V131-V147 HydrophobicContact CG1-CG1 3.5Å; V131-V147 VanDerWaalsContact CG1-CG1 3.5Å; V131-F149 HydrophobicContact CG2-CD1 3.37Å; V131-F149 HydrophobicContact CG2-CE1 3.38Å; V131-F149 HydrophobicContact CG2-CG 4.03Å; V131-F149 HydrophobicContact CG2-CZ 4.03Å |
| 132 | S | 83.4 | Confident | 77.7 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.6 | 164.7 | 169.2 | 0 | 0 | 0 | 0 | 109.6 | N148 | S132-N148 PolarHBondContact N-O 2.77Å; S132-N148 PolarHBondContact O-N 3.25Å |
| 133 | V | 86.9 | Confident | 77.4 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 148.6 | 166.1 | -172 | 0 | 0 | 0 | 0 | 108.7 | E118 L121 F122 V131 A145 Y146 V147 | E118-V133 HydrophobicContact CB-CG1 4.44Å; E118-V133 HydrophobicContact CG-CG1 4.11Å; L121-V133 HydrophobicContact CB-CG1 4.19Å; L121-V133 HydrophobicContact CB-CG2 4.05Å; L121-V133 HydrophobicContact CD1-CG1 4.23Å; F122-V133 HydrophobicContact CB-CG2 4.03Å; V131-V133 HydrophobicContact CG1-CG2 4.29Å; V133-A145 HydrophobicContact CG1-CB 4.3Å; V133-Y146 CarbonylContact C-O 3.58Å; V133-Y146 WeakPolarHBondContact CA-O 3.33Å; V133-V147 HydrophobicContact CG2-CG2 4.35Å |
| 134 | K | 83.4 | Confident | 77.6 | Confident | 134 Ų | 134 | 69 Ų | 69 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 119.8 | 165.7 | -63.6 | -171.8 | 177.7 | -170.6 | 0 | 110.2 | E118 A145 Y146 | E118-K134 WeakPolarHBondContact OE1-CA 3.3Å; K134-A145 WeakPolarHBondContact O-CA 3.49Å; K134-Y146 PolarHBondContact N-O 3.24Å; K134-Y146 PolarHBondContact O-N 2.95Å |
| 135 | L | 86.6 | Confident | 77.8 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 151.1 | 166.9 | -78.7 | 173 | 0 | 0 | 0 | 111.9 | L108 D114 V117 E118 A145 | L108-L135 HydrophobicContact CD1-CD2 3.56Å; D114-L135 HydrophobicContact CB-CD1 3.46Å; D114-L135 VanDerWaalsContact CB-CD1 3.46Å; D114-L135 WeakPolarHBondContact O-CD1 3.16Å; V117-L135 HydrophobicContact CB-CD1 4.32Å; V117-L135 HydrophobicContact CG1-CD1 4.26Å; V117-L135 HydrophobicContact CG1-CD2 3.91Å; V117-L135 HydrophobicContact CG1-CG 4.48Å; E118-L135 HydrophobicContact CG-CB 4.44Å; E118-L135 HydrophobicContact CG-CD1 3.66Å; E118-L135 HydrophobicContact CG-CG 3.7Å; E118-L135 PolarHBondContact OE1-N 2.88Å; L135-A145 HydrophobicContact CD2-CB 3.89Å |
| 136 | S | 78.6 | Confident | 78 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153 | 165.3 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | I144 Y146 | S136-I144 PolarHBondContact N-O 2.82Å; S136-I144 WeakPolarHBondContact O-CG1 3.4Å; S136-I144 PolarHBondContact O-N 2.92Å; S136-I144 WeakPolarHBondContact OG-CG1 3.46Å; S136-Y146 WeakPolarHBondContact OG-CE2 3.47Å |
| 137 | H | 76.9 | Confident | 78.2 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 66% | 0.662 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.7 | 173.6 | -170 | 64 | 0 | 0 | 0 | 109 | G142 | H137-G142 PolarHBondContact ND1-O 2.89Å |
| 138 | T | 69.7 | Low | 78.5 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.2 | 176.9 | 56 | 0 | 0 | 0 | 0 | 109.7 | E140 L141 G142 I144 | T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.15Å; T138-L141 PolarHBondContact O-N 3.2Å; T138-G142 PolarHBondContact N-O 2.85Å; T138-G142 WeakPolarHBondContact O-CA 3.47Å; T138-G142 PolarHBondContact O-N 2.94Å; T138-I144 HydrophobicContact CG2-CD1 3.79Å; T138-I144 HydrophobicContact CG2-CG1 4.48Å |
| 139 | P | 56.8 | Low | 78.9 | Confident | 130 Ų | 130 | 58.3 Ų | 58.3 | 84% | 0.844 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -16.5 | -173.1 | 27.4 | -35.3 | 0 | 0 | 0 | 113.6 | ||
| 140 | E | 61.9 | Low | 79 | Confident | 183 Ų | 183 | 65.3 Ų | 65.3 | 86% | 0.855 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -24.3 | -178.8 | -62.4 | 177.7 | 175 | 0 | 0 | 113.6 | T138 | T138-E140 PolarHBondContact O-N 2.83Å; T138-E140 VanDerWaalsContact O-N 3.15Å |
| 141 | L | 63.1 | Low | 79 | Confident | 103 Ų | 103 | 65.3 Ų | 65.3 | 54% | 0.539 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -2 | -174 | -62.5 | 172.8 | 0 | 0 | 0 | 114.3 | T138 I144 | T138-L141 PolarHBondContact O-N 3.2Å; L141-I144 HydrophobicContact CB-CG2 3.92Å |
| 142 | G | 72.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.2 | -147.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H137 T138 | H137-G142 PolarHBondContact ND1-O 2.89Å; T138-G142 PolarHBondContact N-O 2.85Å; T138-G142 WeakPolarHBondContact O-CA 3.47Å; T138-G142 PolarHBondContact O-N 2.94Å |
| 143 | R | 77.3 | Confident | 78.4 | Confident | 71 Ų | 71 | 68.7 Ų | 68.7 | 27% | 0.268 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.9 | 169.3 | -61.8 | -160.6 | -159.1 | 154.8 | 11.8 | 108.9 | L108 S110 V112 D114 | L108-R143 HydrophobicContact CB-CB 4.21Å; S110-R143 PolarHBondContact O-NH2 2.9Å; V112-R143 PolarHBondContact O-NH1 3.16Å; D114-R143 WeakPolarHBondContact OD1-CD 3.42Å; D114-R143 IonicContact OD1-CZ 2.65Å; D114-R143 IonicContact OD1-NE 3.36Å; D114-R143 PolarHBondContact OD1-NE 3.47Å; D114-R143 IonicContact OD1-NH1 3.47Å; D114-R143 PolarHBondContact OD1-NH1 2.84Å |
| 144 | I | 84.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.2 | 179.1 | 60.1 | 174.1 | 0 | 0 | 0 | 110.2 | L104 I105 S136 T138 L141 | L104-I144 HydrophobicContact CD1-CB 3.81Å; L104-I144 HydrophobicContact CD1-CD1 3.8Å; L104-I144 HydrophobicContact CD1-CG1 4.23Å; L104-I144 HydrophobicContact CD1-CG2 4.29Å; I105-I144 CarbonylContact O-C 3.55Å; I105-I144 WeakPolarHBondContact O-CA 3.48Å; S136-I144 PolarHBondContact N-O 2.82Å; S136-I144 WeakPolarHBondContact O-CG1 3.4Å; S136-I144 PolarHBondContact O-N 2.92Å; S136-I144 WeakPolarHBondContact OG-CG1 3.46Å; T138-I144 HydrophobicContact CG2-CD1 3.79Å; T138-I144 HydrophobicContact CG2-CG1 4.48Å; L141-I144 HydrophobicContact CB-CG2 3.92Å |
| 145 | A | 83.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | I105 L108 L121 V133 K134 L135 | I105-A145 HydrophobicContact CB-CB 4.36Å; I105-A145 PolarHBondContact N-O 3.46Å; I105-A145 PolarHBondContact O-N 2.89Å; L108-A145 HydrophobicContact CD1-CB 3.9Å; L121-A145 HydrophobicContact CD1-CB 3.42Å; L121-A145 VanDerWaalsContact CD1-CB 3.42Å; V133-A145 HydrophobicContact CG1-CB 4.3Å; K134-A145 WeakPolarHBondContact O-CA 3.49Å; L135-A145 HydrophobicContact CD2-CB 3.89Å |
| 146 | Y | 86.6 | Confident | 77.8 | Confident | 70 Ų | 70 | 62.8 Ų | 62.8 | 28% | 0.275 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.2 | 167.6 | -61.2 | -64.1 | 0 | 0 | 0 | 109.2 | L103 L104 V133 K134 S136 M178 | L103-Y146 WeakPolarHBondContact O-CA 3.44Å; L104-Y146 HydrophobicContact CD1-CD1 4.2Å; L104-Y146 HydrophobicContact CD1-CE1 3.8Å; V133-Y146 CarbonylContact C-O 3.58Å; V133-Y146 WeakPolarHBondContact CA-O 3.33Å; K134-Y146 PolarHBondContact N-O 3.24Å; K134-Y146 PolarHBondContact O-N 2.95Å; S136-Y146 WeakPolarHBondContact OG-CE2 3.47Å; Y146-M178 HydrophobicContact CD1-CE 4.4Å; Y146-M178 HydrophobicContact CD1-SD 4.24Å; Y146-M178 HydrophobicContact CE1-CE 3.66Å; Y146-M178 HydrophobicContact CE1-SD 3.93Å |
| 147 | V | 88.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.6 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | T102 L103 I105 F125 V131 V133 F149 | T102-V147 CarbonylContact C-O 3.57Å; T102-V147 WeakPolarHBondContact CA-O 3.46Å; L103-V147 HydrophobicContact CB-CB 4.44Å; L103-V147 PolarHBondContact N-O 2.93Å; L103-V147 PolarHBondContact O-N 3.34Å; I105-V147 HydrophobicContact CD1-CB 4.45Å; I105-V147 HydrophobicContact CD1-CG2 3.47Å; I105-V147 VanDerWaalsContact CD1-CG2 3.47Å; I105-V147 HydrophobicContact CG1-CG2 4.15Å; F125-V147 HydrophobicContact CB-CG1 3.92Å; F125-V147 HydrophobicContact CD2-CG1 4.06Å; F125-V147 HydrophobicContact CD2-CG2 4.15Å; F125-V147 HydrophobicContact CE2-CG2 4.46Å; F125-V147 HydrophobicContact CG-CG1 3.96Å; V131-V147 HydrophobicContact CG1-CG1 3.5Å; V131-V147 VanDerWaalsContact CG1-CG1 3.5Å; V133-V147 HydrophobicContact CG2-CG2 4.35Å; V147-F149 HydrophobicContact CB-CE2 4.28Å; V147-F149 HydrophobicContact CG1-CD2 4.35Å; V147-F149 HydrophobicContact CG1-CE2 3.58Å; V147-F149 HydrophobicContact CG1-CZ 3.85Å |
| 148 | N | 86.4 | Confident | 78.2 | Confident | 52 Ų | 52 | 60 Ų | 60 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 118.5 | 179.8 | 178.5 | 93.3 | 0 | 0 | 0 | 110.8 | K101 T102 S132 | K101-N148 WeakPolarHBondContact CE-OD1 3.27Å; T102-N148 HydrophobicContact CG2-CB 4.22Å; T102-N148 PolarHBondContact OG1-OD1 2.97Å; S132-N148 PolarHBondContact N-O 2.77Å; S132-N148 PolarHBondContact O-N 3.25Å |
| 149 | F | 85.9 | Confident | 78.5 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 156.9 | 175.5 | -63.9 | -101.3 | 0 | 0 | 0 | 111.3 | K101 L103 F125 F128 V131 V147 H151 D154 A155 A158 | K101-F149 PolarHBondContact O-N 3.35Å; L103-F149 HydrophobicContact CD1-CE2 3.63Å; L103-F149 HydrophobicContact CD1-CZ 4.11Å; L103-F149 HydrophobicContact CG-CD2 4.49Å; L103-F149 HydrophobicContact CG-CE2 3.86Å; F125-F149 HydrophobicContact CB-CE1 4.41Å; F125-F149 HydrophobicContact CB-CZ 4.05Å; F125-F149 AromaticContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CD1-CZ 3.75Å; F125-F149 HydrophobicContact CG-CZ 4.14Å; F128-F149 HydrophobicContact CB-CE1 4.31Å; V131-F149 HydrophobicContact CG2-CD1 3.37Å; V131-F149 HydrophobicContact CG2-CE1 3.38Å; V131-F149 HydrophobicContact CG2-CG 4.03Å; V131-F149 HydrophobicContact CG2-CZ 4.03Å; V147-F149 HydrophobicContact CB-CE2 4.28Å; V147-F149 HydrophobicContact CG1-CD2 4.35Å; V147-F149 HydrophobicContact CG1-CE2 3.58Å; V147-F149 HydrophobicContact CG1-CZ 3.85Å; F149-H151 WeakPolarHBondContact CB-O 3.41Å; F149-D154 HydrophobicContact CB-CB 4.16Å; F149-D154 HydrophobicContact CD1-CB 3.61Å; F149-D154 HydrophobicContact CE1-CB 4.46Å; F149-D154 HydrophobicContact CG-CB 4.2Å; F149-A155 HydrophobicContact CB-CB 4.02Å; F149-A155 HydrophobicContact CD2-CB 3.54Å; F149-A155 HydrophobicContact CE2-CB 4.22Å; F149-A155 HydrophobicContact CG-CB 3.79Å; F149-A158 HydrophobicContact CE1-CB 3.62Å; F149-A158 HydrophobicContact CE2-CB 4.26Å; F149-A158 HydrophobicContact CZ-CB 3.36Å |
| 150 | R | 81.8 | Confident | 79.3 | Confident | 168 Ų | 168 | 62 Ų | 62 | 63% | 0.634 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.6 | -35.7 | 174 | -176 | 167.4 | 171.8 | 165.2 | -3.9 | 112.9 | D130 | D130-R150 HydrophobicContact CB-CB 3.85Å; D130-R150 HydrophobicContact CB-CG 4.5Å; D130-R150 WeakPolarHBondContact O-CB 3.49Å; D130-R150 PolarHBondContact O-N 3.39Å; D130-R150 WeakPolarHBondContact OD2-CD 3.37Å; D130-R150 IonicContact OD2-CZ 2.71Å; D130-R150 IonicContact OD2-NE 3.54Å; D130-R150 IonicContact OD2-NH1 2.61Å; D130-R150 PolarHBondContact OD2-NH1 3.01Å |
| 151 | H | 78.4 | Confident | 79.9 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -120.1 | 152.1 | 175.3 | -36.2 | 99.3 | 0 | 0 | 0 | 111.3 | F149 E153 D154 | F149-H151 WeakPolarHBondContact CB-O 3.41Å; H151-E153 VanDerWaalsContact C-N 3.32Å; H151-D154 WeakPolarHBondContact CB-OD1 3.45Å; H151-D154 IonicContact CE1-OD2 2.74Å; H151-D154 IonicContact CG-OD1 3.46Å; H151-D154 IonicContact CG-OD2 2.72Å; H151-D154 IonicContact ND1-OD1 3.57Å; H151-D154 PolarHBondContact ND1-OD1 2.79Å; H151-D154 IonicContact ND1-OD2 3.43Å; H151-D154 PolarHBondContact ND1-OD2 2.74Å |
| 152 | P | 78.5 | Confident | 80.1 | Confident | 39 Ų | 39 | 53 Ų | 53 | 25% | 0.253 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.2 | -20.6 | 178.6 | 30.2 | -34.6 | 0 | 0 | 0 | 113.2 | E99 K156 | E99-P152 HydrophobicContact CB-CB 4.5Å; P152-K156 WeakPolarHBondContact O-CG 3.46Å; P152-K156 PolarHBondContact O-N 3.35Å |
| 153 | E | 78.8 | Confident | 79.6 | Confident | 99 Ų | 99 | 55.6 Ų | 55.6 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -73.5 | -46.3 | 176 | -53.2 | -41.4 | 112.8 | 0 | 0 | 111.1 | H151 A155 K156 E157 | H151-E153 VanDerWaalsContact C-N 3.32Å; E153-A155 PolarHBondContact O-N 2.85Å; E153-A155 VanDerWaalsContact O-N 3.16Å; E153-K156 WeakPolarHBondContact O-CA 3.41Å; E153-K156 WeakPolarHBondContact O-CB 3.42Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 WeakPolarHBondContact OE1-CE 3.32Å; E153-K156 IonicContact OE1-NZ 3.77Å; E153-K156 PolarHBondContact OE1-NZ 3.3Å; E153-K156 VanDerWaalsContact OE2-CD 3.32Å; E153-K156 WeakPolarHBondContact OE2-CD 3.32Å; E153-K156 IonicContact OE2-NZ 3.73Å; E153-K156 PolarHBondContact OE2-NZ 3.31Å; E153-E157 PolarHBondContact O-N 2.65Å |
| 154 | D | 84.4 | Confident | 78.5 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -48.1 | -43.4 | 171.3 | -48.3 | 8.6 | 0 | 0 | 0 | 111.4 | F128 F149 H151 E157 A158 | F128-D154 WeakPolarHBondContact O-CB 3.37Å; F149-D154 HydrophobicContact CB-CB 4.16Å; F149-D154 HydrophobicContact CD1-CB 3.61Å; F149-D154 HydrophobicContact CE1-CB 4.46Å; F149-D154 HydrophobicContact CG-CB 4.2Å; H151-D154 WeakPolarHBondContact CB-OD1 3.45Å; H151-D154 IonicContact CE1-OD2 2.74Å; H151-D154 IonicContact CG-OD1 3.46Å; H151-D154 IonicContact CG-OD2 2.72Å; H151-D154 IonicContact ND1-OD1 3.57Å; H151-D154 PolarHBondContact ND1-OD1 2.79Å; H151-D154 IonicContact ND1-OD2 3.43Å; H151-D154 PolarHBondContact ND1-OD2 2.74Å; D154-E157 PolarHBondContact O-N 3.16Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.46Å |
| 155 | A | 81.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y100 F149 E153 R159 | Y100-A155 HydrophobicContact CD2-CB 4.43Å; Y100-A155 WeakPolarHBondContact O-CB 3.19Å; F149-A155 HydrophobicContact CB-CB 4.02Å; F149-A155 HydrophobicContact CD2-CB 3.54Å; F149-A155 HydrophobicContact CE2-CB 4.22Å; F149-A155 HydrophobicContact CG-CB 3.79Å; E153-A155 PolarHBondContact O-N 2.85Å; E153-A155 VanDerWaalsContact O-N 3.16Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.42Å |
| 156 | K | 79 | Confident | 76.1 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -49.1 | 172.2 | -66.9 | 164.5 | -164.7 | 171.1 | 0 | 109.9 | Y100 P152 E153 R159 H160 | Y100-K156 HydrophobicContact CE1-CG 3.92Å; Y100-K156 HydrophobicContact CE2-CG 4.29Å; P152-K156 WeakPolarHBondContact O-CG 3.46Å; P152-K156 PolarHBondContact O-N 3.35Å; E153-K156 WeakPolarHBondContact O-CA 3.41Å; E153-K156 WeakPolarHBondContact O-CB 3.42Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 WeakPolarHBondContact OE1-CE 3.32Å; E153-K156 IonicContact OE1-NZ 3.77Å; E153-K156 PolarHBondContact OE1-NZ 3.3Å; E153-K156 VanDerWaalsContact OE2-CD 3.32Å; E153-K156 WeakPolarHBondContact OE2-CD 3.32Å; E153-K156 IonicContact OE2-NZ 3.73Å; E153-K156 PolarHBondContact OE2-NZ 3.31Å; K156-R159 PolarHBondContact O-N 2.9Å; K156-H160 PolarHBondContact O-CD2 2.89Å; K156-H160 PolarHBondContact O-N 2.92Å |
| 157 | E | 80.3 | Confident | 75 | Confident | 121 Ų | 121 | 67.8 Ų | 67.8 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.3 | -50.1 | -178.4 | -171 | 176.6 | 171.3 | 0 | 0 | 111.3 | F128 E153 D154 R159 H160 A161 | F128-E157 HydrophobicContact CD1-CG 4.05Å; E153-E157 PolarHBondContact O-N 2.65Å; D154-E157 PolarHBondContact O-N 3.16Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 3Å; E157-H160 PolarHBondContact O-N 3.03Å; E157-H160 VanDerWaalsContact O-N 3.13Å; E157-A161 VanDerWaalsContact O-CB 3.31Å; E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.39Å |
| 158 | A | 81.8 | Confident | 73.5 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -53 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L103 F125 F128 F149 D154 K162 | L103-A158 HydrophobicContact CD1-CB 4.26Å; F125-A158 HydrophobicContact CD1-CB 3.82Å; F125-A158 HydrophobicContact CE1-CB 4.01Å; F128-A158 HydrophobicContact CB-CB 3.91Å; F128-A158 HydrophobicContact CD2-CB 3.89Å; F128-A158 HydrophobicContact CG-CB 3.86Å; F149-A158 HydrophobicContact CE1-CB 3.62Å; F149-A158 HydrophobicContact CE2-CB 4.26Å; F149-A158 HydrophobicContact CZ-CB 3.36Å; D154-A158 WeakPolarHBondContact O-CB 3.43Å; D154-A158 PolarHBondContact O-N 3.46Å; A158-K162 WeakPolarHBondContact O-CB 3.29Å; A158-K162 PolarHBondContact O-N 3.05Å; A158-K162 VanDerWaalsContact O-N 3.08Å |
| 159 | R | 76.8 | Confident | 72.3 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 29% | 0.287 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 176.8 | -174.6 | -176.2 | 171.5 | -138.1 | -0.5 | 111.6 | Y100 L103 A155 K156 E157 K162 S163 I175 | Y100-R159 HydrophobicContact CE2-CB 4.3Å; Y100-R159 WeakPolarHBondContact OH-CD 3.09Å; Y100-R159 PolarHBondContact OH-NH1 3.24Å; L103-R159 HydrophobicContact CD1-CB 4.12Å; L103-R159 HydrophobicContact CD2-CB 4.01Å; L103-R159 HydrophobicContact CD2-CG 4.4Å; A155-R159 WeakPolarHBondContact O-CB 3.42Å; A155-R159 PolarHBondContact O-N 3.42Å; K156-R159 PolarHBondContact O-N 2.9Å; E157-R159 VanDerWaalsContact C-N 3.29Å; E157-R159 PolarHBondContact O-N 3Å; R159-K162 PolarHBondContact O-N 3.34Å; R159-S163 VanDerWaalsContact O-CA 3.32Å; R159-S163 WeakPolarHBondContact O-CA 3.4Å; R159-S163 WeakPolarHBondContact O-CB 3.34Å; R159-S163 PolarHBondContact O-N 2.98Å; R159-I175 HydrophobicContact CG-CG2 4.21Å |
| 160 | H | 73.4 | Confident | 70.6 | Confident | 133 Ų | 133 | 79.9 Ų | 79.9 | 62% | 0.616 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 179.1 | -80.7 | -71.5 | 0 | 0 | 0 | 111.1 | K156 E157 K162 S163 | K156-H160 PolarHBondContact O-CD2 2.89Å; K156-H160 PolarHBondContact O-N 2.92Å; E157-H160 PolarHBondContact O-N 3.03Å; E157-H160 VanDerWaalsContact O-N 3.13Å; H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 2.66Å; H160-S163 PolarHBondContact O-OG 2.96Å |
| 161 | A | 75.3 | Confident | 69.5 | Low | 52 Ų | 52 | 77.9 Ų | 77.9 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.3 | -24.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F128 E157 | F128-A161 HydrophobicContact CE1-CB 3.48Å; F128-A161 VanDerWaalsContact CE1-CB 3.48Å; F128-A161 HydrophobicContact CZ-CB 3.59Å; E157-A161 VanDerWaalsContact O-CB 3.31Å; E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.39Å |
| 162 | K | 67.9 | Low | 69 | Low | 44 Ų | 44 | 80.7 Ų | 80.7 | 19% | 0.191 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -112.8 | -2.5 | -179 | -60.4 | -68.9 | 160.5 | 179.7 | 0 | 115 | E124 F125 F128 A158 R159 H160 S164 R165 L166 I175 | E124-K162 WeakPolarHBondContact OE1-CE 3.32Å; E124-K162 IonicContact OE1-NZ 3.21Å; E124-K162 PolarHBondContact OE1-NZ 3Å; F125-K162 HydrophobicContact CE1-CB 4.38Å; F125-K162 HydrophobicContact CE1-CG 4.14Å; F128-K162 HydrophobicContact CE2-CG 4.17Å; F128-K162 HydrophobicContact CZ-CG 4.35Å; A158-K162 WeakPolarHBondContact O-CB 3.29Å; A158-K162 PolarHBondContact O-N 3.05Å; A158-K162 VanDerWaalsContact O-N 3.08Å; R159-K162 PolarHBondContact O-N 3.34Å; H160-K162 VanDerWaalsContact C-N 3.32Å; H160-K162 PolarHBondContact O-N 2.66Å; K162-S164 PolarHBondContact O-N 3.45Å; K162-R165 PolarHBondContact O-N 3.11Å; K162-R165 VanDerWaalsContact O-N 3.13Å; K162-L166 HydrophobicContact CB-CB 4.39Å; K162-L166 HydrophobicContact CD-CD1 4.3Å; K162-L166 PolarHBondContact O-N 3.04Å; K162-I175 HydrophobicContact CB-CD1 3.69Å |
| 163 | S | 60.4 | Low | 68.7 | Low | 84 Ų | 84 | 79.6 Ų | 79.6 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -27 | -177.5 | 54.5 | 0 | 0 | 0 | 0 | 116.2 | R159 H160 | R159-S163 VanDerWaalsContact O-CA 3.32Å; R159-S163 WeakPolarHBondContact O-CA 3.4Å; R159-S163 WeakPolarHBondContact O-CB 3.34Å; R159-S163 PolarHBondContact O-N 2.98Å; H160-S163 PolarHBondContact O-OG 2.96Å |
| 164 | S | 54.7 | Low | 68.5 | Low | 96 Ų | 96 | 80.7 Ų | 80.7 | 67% | 0.671 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | -3.2 | -177.4 | 60.3 | 0 | 0 | 0 | 0 | 115 | K162 | K162-S164 PolarHBondContact O-N 3.45Š|
| 165 | R | 56 | Low | 68.4 | Low | 208 Ų | 208 | 80.6 Ų | 80.6 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.5 | 18.6 | -164.9 | -78.7 | -167.5 | 171.7 | 177.3 | -2.9 | 116.6 | K162 V167 | K162-R165 PolarHBondContact O-N 3.11Å; K162-R165 VanDerWaalsContact O-N 3.13Å; R165-V167 PolarHBondContact O-N 3.03Å |
| 166 | L | 62.7 | Low | 68.3 | Low | 15 Ų | 15 | 83.9 Ų | 83.9 | 8% | 0.079 | 43% | 0.425 | C | S | . | . | trans | -79.5 | 111.9 | 166.2 | -161.2 | 75.7 | 0 | 0 | 0 | 110 | I105 L121 E124 F125 K162 L173 I175 | I105-L166 HydrophobicContact CD1-CD2 4.02Å; I105-L166 HydrophobicContact CG2-CD2 4.23Å; L121-L166 HydrophobicContact CD2-CD2 4.12Å; E124-L166 HydrophobicContact CG-CD1 3.82Å; F125-L166 HydrophobicContact CE2-CD1 4.17Å; F125-L166 HydrophobicContact CE2-CD2 3.83Å; F125-L166 HydrophobicContact CZ-CD1 4.1Å; F125-L166 HydrophobicContact CZ-CD2 3.85Å; K162-L166 HydrophobicContact CB-CB 4.39Å; K162-L166 HydrophobicContact CD-CD1 4.3Å; K162-L166 PolarHBondContact O-N 3.04Å; L166-L173 HydrophobicContact CB-CB 4.37Å; L166-L173 HydrophobicContact CD2-CB 3.86Å; L166-L173 HydrophobicContact CD2-CD1 3.83Å; L166-L173 HydrophobicContact CD2-CG 4.42Å; L166-L173 HydrophobicContact CG-CB 4.22Å; L166-L173 HydrophobicContact CG-CD1 4.22Å; L166-L173 PolarHBondContact O-N 2.92Å; L166-I175 HydrophobicContact CB-CD1 3.96Å; L166-I175 HydrophobicContact CD2-CD1 3.94Å; L166-I175 HydrophobicContact CD2-CG1 4.09Å | ||
| 167 | V | 62.9 | Low | 68.3 | Low | 80 Ų | 80 | 83.1 Ų | 83.1 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.2 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | R165 G169 R171 Q172 | R165-V167 PolarHBondContact O-N 3.03Å; V167-G169 WeakPolarHBondContact CG1-O 3.22Å; V167-R171 WeakPolarHBondContact CA-O 3.45Å; V167-R171 WeakPolarHBondContact CG1-O 3.17Å; V167-Q172 HydrophobicContact CG2-CG 4.29Å |
| 168 | L | 56.2 | Low | 68.1 | Low | 40 Ų | 40 | 80.7 Ų | 80.7 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 117.5 | 174.9 | -168 | 73 | 0 | 0 | 0 | 108.6 | L108 V117 A120 E170 R171 L173 | L108-L168 HydrophobicContact CD2-CD2 4.38Å; V117-L168 HydrophobicContact CG1-CD2 4.39Å; V117-L168 HydrophobicContact CG2-CD2 3.93Å; A120-L168 HydrophobicContact CB-CD1 3.63Å; L168-E170 PolarHBondContact O-N 3.19Å; L168-R171 PolarHBondContact N-O 3.16Å; L168-R171 PolarHBondContact O-N 2.66Å; L168-L173 HydrophobicContact CB-CD1 3.68Å; L168-L173 HydrophobicContact CB-CD2 4.36Å; L168-L173 HydrophobicContact CB-CG 4.06Å; L168-L173 HydrophobicContact CD2-CD1 4.27Å |
| 169 | G | 61 | Low | 67.6 | Low | 67 Ų | 67 | 85.5 Ų | 85.5 | 69% | 0.691 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -130.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V167 | V167-G169 WeakPolarHBondContact CG1-O 3.22Š|
| 170 | E | 49.7 | Very low | 66.4 | Low | 200 Ų | 200 | 86.6 Ų | 86.6 | 94% | 0.935 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 6.8 | 177.9 | -59.3 | -171.9 | 145.1 | 0 | 0 | 114 | L168 | L168-E170 PolarHBondContact O-N 3.19Š|
| 171 | R | 59.5 | Low | 64.6 | Low | 126 Ų | 126 | 90.6 Ų | 90.6 | 48% | 0.475 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.8 | -173.8 | -70.3 | -171.3 | 176.5 | -168.1 | 1.5 | 113.3 | V167 L168 | V167-R171 WeakPolarHBondContact CA-O 3.45Å; V167-R171 WeakPolarHBondContact CG1-O 3.17Å; L168-R171 PolarHBondContact N-O 3.16Å; L168-R171 PolarHBondContact O-N 2.66Å |
| 172 | Q | 68.5 | Low | 62.7 | Low | 148 Ų | 148 | 98.9 Ų | 98.9 | 69% | 0.692 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.1 | 168.5 | -64.2 | -179.6 | 4.8 | 0 | 0 | 109.9 | N107 V167 | N107-Q172 PolarHBondContact ND2-O 2.77Å; V167-Q172 HydrophobicContact CG2-CG 4.29Å |
| 173 | L | 72.4 | Confident | 60.9 | Low | 15 Ų | 15 | 108.1 Ų | 108.1 | 8% | 0.079 | 51% | 0.512 | C | S | . | . | trans | -95.1 | 133.8 | -179.7 | -62.7 | -170.5 | 0 | 0 | 0 | 110.8 | I105 N107 L108 L121 L166 L168 | I105-L173 HydrophobicContact CG2-CB 3.91Å; I105-L173 HydrophobicContact CG2-CD1 3.94Å; I105-L173 HydrophobicContact CG2-CG 4.47Å; N107-L173 VanDerWaalsContact O-CD2 3.25Å; N107-L173 WeakPolarHBondContact O-CD2 3.46Å; L108-L173 HydrophobicContact CD2-CD1 3.75Å; L108-L173 HydrophobicContact CD2-CD2 3.88Å; L108-L173 HydrophobicContact CD2-CG 4.47Å; L121-L173 HydrophobicContact CD2-CD1 4.2Å; L166-L173 HydrophobicContact CB-CB 4.37Å; L166-L173 HydrophobicContact CD2-CB 3.86Å; L166-L173 HydrophobicContact CD2-CD1 3.83Å; L166-L173 HydrophobicContact CD2-CG 4.42Å; L166-L173 HydrophobicContact CG-CB 4.22Å; L166-L173 HydrophobicContact CG-CD1 4.22Å; L166-L173 PolarHBondContact O-N 2.92Å; L168-L173 HydrophobicContact CB-CD1 3.68Å; L168-L173 HydrophobicContact CB-CD2 4.36Å; L168-L173 HydrophobicContact CB-CG 4.06Å; L168-L173 HydrophobicContact CD2-CD1 4.27Å | ||
| 174 | K | 73.3 | Confident | 59.4 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 112.1 | -175.3 | -171 | -163.5 | -167.1 | -159.9 | 0 | 110.3 | I105 S106 E176 | I105-K174 WeakPolarHBondContact CA-O 3.41Å; S106-K174 PolarHBondContact N-O 3.48Å; S106-K174 PolarHBondContact O-N 2.84Å; S106-K174 PolarHBondContact OG-O 3.07Å; K174-E176 HydrophobicContact CD-CG 4.46Å; K174-E176 WeakPolarHBondContact CE-OE1 3.48Å; K174-E176 HydrophobicContact CG-CG 4.45Å; K174-E176 IonicContact NZ-OE1 3.75Å; K174-E176 PolarHBondContact NZ-OE1 3.09Å |
| 175 | I | 82.9 | Confident | 58.4 | Low | 23 Ų | 23 | 110.4 Ų | 110.4 | 12% | 0.118 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.4 | -178.6 | -50.6 | 174.8 | 0 | 0 | 0 | 110.7 | L103 L104 I105 F125 R159 K162 L166 | L103-I175 HydrophobicContact CB-CG2 4.02Å; L103-I175 HydrophobicContact CD1-CG2 3.86Å; L103-I175 HydrophobicContact CD2-CG2 4.3Å; L103-I175 HydrophobicContact CG-CG2 4.28Å; L104-I175 CarbonylContact O-C 3.56Å; L104-I175 WeakPolarHBondContact O-CA 3.21Å; I105-I175 HydrophobicContact CG1-CG1 4.43Å; F125-I175 HydrophobicContact CZ-CD1 4.02Å; R159-I175 HydrophobicContact CG-CG2 4.21Å; K162-I175 HydrophobicContact CB-CD1 3.69Å; L166-I175 HydrophobicContact CB-CD1 3.96Å; L166-I175 HydrophobicContact CD2-CD1 3.94Å; L166-I175 HydrophobicContact CD2-CG1 4.09Å |
| 176 | E | 79.8 | Confident | 57.3 | Low | 69 Ų | 69 | 106.1 Ų | 106.1 | 32% | 0.322 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.4 | 178.1 | -63.3 | -169.7 | 163.2 | 0 | 0 | 112.1 | L103 L104 K174 M178 | L103-E176 WeakPolarHBondContact CA-O 3.16Å; L104-E176 HydrophobicContact CB-CB 4.35Å; L104-E176 PolarHBondContact N-O 3.42Å; L104-E176 PolarHBondContact O-N 2.84Å; K174-E176 HydrophobicContact CD-CG 4.46Å; K174-E176 WeakPolarHBondContact CE-OE1 3.48Å; K174-E176 HydrophobicContact CG-CG 4.45Å; K174-E176 IonicContact NZ-OE1 3.75Å; K174-E176 PolarHBondContact NZ-OE1 3.09Å; E176-M178 PolarHBondContact O-N 3.43Å |
| 177 | P | 79.4 | Confident | 55.9 | Low | 25 Ų | 25 | 111 Ų | 111 | 16% | 0.162 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 115.8 | 177.7 | 32.2 | -33.6 | 0 | 0 | 0 | 110.6 | Y100 Y179 | Y100-P177 HydrophobicContact CD1-CB 3.96Å; Y100-P177 HydrophobicContact CD2-CB 3.55Å; Y100-P177 HydrophobicContact CE1-CB 4.19Å; Y100-P177 HydrophobicContact CE2-CB 3.79Å; Y100-P177 HydrophobicContact CG-CB 3.62Å; P177-Y179 HydrophobicContact CB-CE1 4.42Å; P177-Y179 HydrophobicContact CB-CE2 4.06Å; P177-Y179 HydrophobicContact CG-CE2 3.64Å; P177-Y179 WeakPolarHBondContact O-CD2 3.42Å; P177-Y179 PolarHBondContact O-N 3.28Å |
| 178 | M | 76.1 | Confident | 54.5 | Low | 71 Ų | 71 | 112.5 Ų | 112.5 | 35% | 0.35 | 56% | 0.563 | S | S | . | * | trans | -85.1 | 94.5 | 175.5 | -178.4 | 158.3 | -75.6 | 0 | 0 | 110.7 | T102 L104 Y146 E176 V180 | T102-M178 HydrophobicContact CG2-CB 4.44Å; T102-M178 WeakPolarHBondContact O-CB 3.41Å; T102-M178 PolarHBondContact O-N 2.95Å; L104-M178 HydrophobicContact CB-CE 4.49Å; L104-M178 HydrophobicContact CD2-CE 4.46Å; Y146-M178 HydrophobicContact CD1-CE 4.4Å; Y146-M178 HydrophobicContact CD1-SD 4.24Å; Y146-M178 HydrophobicContact CE1-CE 3.66Å; Y146-M178 HydrophobicContact CE1-SD 3.93Å; E176-M178 PolarHBondContact O-N 3.43Å; M178-V180 PolarHBondContact O-N 3.42Å | ||
| 179 | Y | 70 | Confident | 53.3 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 39% | 0.392 | 60% | 0.595 | S | S | . | * | trans | -68.7 | 111.1 | 172.6 | -58.5 | -71.3 | 0 | 0 | 0 | 111.1 | L98 Y100 P177 R181 | L98-Y179 HydrophobicContact CB-CD1 3.59Å; L98-Y179 HydrophobicContact CB-CE1 3.4Å; L98-Y179 HydrophobicContact CD1-CE1 4.42Å; L98-Y179 WeakPolarHBondContact O-CE1 3.41Å; Y100-Y179 HydrophobicContact CD1-CD1 4.29Å; Y100-Y179 AromaticContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CD1-CE1 3.57Å; Y100-Y179 HydrophobicContact CE1-CE1 4.38Å; Y100-Y179 HydrophobicContact CG-CE1 4.19Å; P177-Y179 HydrophobicContact CB-CE1 4.42Å; P177-Y179 HydrophobicContact CB-CE2 4.06Å; P177-Y179 HydrophobicContact CG-CE2 3.64Å; P177-Y179 WeakPolarHBondContact O-CD2 3.42Å; P177-Y179 PolarHBondContact O-N 3.28Å; Y179-R181 PolarHBondContact O-N 2.98Å | ||
| 180 | V | 52.2 | Low | 52 | Low | 100 Ų | 100 | 121.5 Ų | 121.5 | 61% | 0.606 | 60% | 0.6 | S | S | * | * | trans | -71.4 | 93.6 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | M178 R182 | M178-V180 PolarHBondContact O-N 3.42Å; V180-R182 PolarHBondContact O-N 3.02Å | ||
| 181 | R | 36.6 | Very low | 51 | Low | 216 Ų | 216 | 115.2 Ų | 115.2 | 82% | 0.815 | 59% | 0.589 | S | S | * | * | trans | -57.1 | 110.5 | 172.4 | -81.3 | -174.7 | 169.6 | -176.5 | -2.5 | 110.1 | Y179 R183 | Y179-R181 PolarHBondContact O-N 2.98Å; R181-R183 PolarHBondContact O-N 2.98Å | ||
| 182 | R | 33.6 | Very low | 49.6 | Very low | 226 Ų | 226 | 120 Ų | 120 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | trans | -59.1 | 97.7 | 165.9 | -75.1 | -176.2 | 175.7 | -115.7 | 6 | 109.5 | V180 S184 | V180-R182 PolarHBondContact O-N 3.02Å; R182-S184 VanDerWaalsContact C-N 3.28Å; R182-S184 PolarHBondContact O-N 2.82Å | ||
| 183 | R | 30.3 | Very low | 47.8 | Very low | 239 Ų | 239 | 120.4 Ų | 120.4 | 90% | 0.902 | 61% | 0.614 | S | S | * | * | trans | -79.4 | 75.8 | 172.9 | -73.5 | -169.5 | -177.3 | -114.2 | 9.3 | 110.4 | R181 | R181-R183 PolarHBondContact O-N 2.98Š| ||
| 184 | S | 28.9 | Very low | 45.7 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | trans | -146.6 | 39.6 | 172.8 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | R182 | R182-S184 VanDerWaalsContact C-N 3.28Å; R182-S184 PolarHBondContact O-N 2.82Å | ||
| 185 | V | 33.5 | Very low | 43.6 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -139.5 | 144.8 | 169.9 | -162.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 186 | T | 33.1 | Very low | 41 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 153.8 | 163.8 | 25.6 | 0 | 0 | 0 | 0 | 111 | ||
| 187 | P | 34.3 | Very low | 38.5 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 136.1 | 170.7 | -18.6 | 31.5 | 0 | 0 | 0 | 110.1 | ||
| 188 | P | 34.1 | Very low | 36.2 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 137.4 | 162.3 | 30.3 | -32.3 | 0 | 0 | 0 | 108.9 | V190 | P188-V190 PolarHBondContact O-N 3.28Š|
| 189 | D | 29.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -64 | 108.7 | 171 | -90.6 | -45.2 | 0 | 0 | 0 | 110 | G191 | D189-G191 VanDerWaalsContact C-N 3.33Å; D189-G191 PolarHBondContact O-N 3.02Å; D189-G191 VanDerWaalsContact O-N 3.15Å | ||
| 190 | V | 33.3 | Very low | 32.3 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -81.9 | 87.9 | 165.4 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | P188 Y192 | P188-V190 PolarHBondContact O-N 3.28Å; V190-Y192 PolarHBondContact O-N 3.45Å; V190-Y192 VanDerWaalsContact O-N 3.1Å | ||
| 191 | G | 28.7 | Very low | 31 | Very low | 68 Ų | 68 | 150.5 Ų | 150.5 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -59.4 | 111.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D189 L193 | D189-G191 VanDerWaalsContact C-N 3.33Å; D189-G191 PolarHBondContact O-N 3.02Å; D189-G191 VanDerWaalsContact O-N 3.15Å; G191-L193 PolarHBondContact O-N 3.47Å | ||
| 192 | Y | 30.6 | Very low | 30.7 | Very low | 226 Ų | 226 | 149 Ų | 149 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74 | 120 | 166.2 | -118.2 | -93.8 | 0 | 0 | 0 | 109 | V190 P194 | V190-Y192 PolarHBondContact O-N 3.45Å; V190-Y192 VanDerWaalsContact O-N 3.1Å; Y192-P194 WeakPolarHBondContact O-CD 3.26Å |
| 193 | L | 30.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.2 | 177.5 | -77.3 | 167.4 | 0 | 0 | 0 | 110.9 | G191 L195 | G191-L193 PolarHBondContact O-N 3.47Å; L193-L195 PolarHBondContact O-N 2.88Å |
| 194 | P | 29.1 | Very low | 30.5 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 126.3 | 166.8 | -15.7 | 31 | 0 | 0 | 0 | 110.5 | Y192 H196 | Y192-P194 WeakPolarHBondContact O-CD 3.26Å; P194-H196 PolarHBondContact O-N 3.4Å |
| 195 | L | 29.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -81.8 | 96.3 | 170.8 | -76 | 166.7 | 0 | 0 | 0 | 110 | L193 | L193-L195 PolarHBondContact O-N 2.88Š| ||
| 196 | H | 27 | Very low | 30.6 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | 177.3 | 140.4 | 129.3 | -106.3 | -89.4 | 0 | 0 | 0 | 111.2 | P194 | P194-H196 PolarHBondContact O-N 3.4Š| |||
| 197 | A | 27.4 | Very low | 30.4 | Very low | 72 Ų | 72 | 147.2 Ų | 147.2 | 60% | 0.595 | 78% | 0.781 | S | S | * | * | trans | -101.6 | 168.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 198 | P | 31 | Very low | 30.8 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | -139.6 | 168.7 | 89.1 | 34.7 | -18.8 | 0 | 0 | 0 | 117 | |||||
| 199 | Y | 25.7 | Very low | 31.8 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 174.4 | 173.6 | -85.5 | -92.1 | 0 | 0 | 0 | 112.6 | ||||
| 200 | P | 40.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | -121.7 | 160.3 | 24.7 | 12 | 15.3 | 0 | 0 | 0 | 116.2 | ||||
| 201 | Y | 25.3 | Very low | 32.1 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 63% | 0.627 | 78% | 0.784 | S | S | * | * | 78.3 | 133.2 | 59.1 | -139.4 | -125.7 | 0 | 0 | 0 | 112.7 | |||||
| 202 | R | 28.6 | Very low | 32.1 | Very low | 185 Ų | 185 | 145 Ų | 145 | 70% | 0.698 | 79% | 0.787 | S | S | * | * | cis | -148.9 | 168.5 | 16 | -157.4 | -178.4 | -155.9 | -167.1 | 16.4 | 114.1 | ||||
| 203 | Q | 32.7 | Very low | 32.2 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -55.8 | 159.8 | 179.9 | -49.5 | 140.9 | -87.8 | 0 | 0 | 118.2 | ||||
| 204 | R | 27.8 | Very low | 32.1 | Very low | 257 Ų | 257 | 141.5 Ų | 141.5 | 97% | 0.97 | 79% | 0.79 | S | S | * | * | -135.3 | 164.9 | 118.9 | -91.6 | -165.3 | 178.8 | -149.9 | -0.1 | 110.4 | |||||
| 205 | S | 31.4 | Very low | 32.4 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -148.4 | 147.9 | -161.5 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 206 | L | 32.4 | Very low | 32.4 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -152.6 | 114.7 | 161.4 | -99.4 | 175.7 | 0 | 0 | 0 | 113.5 | ||||
| 207 | S | 28.8 | Very low | 32.6 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 24.6 | 162.6 | 147.3 | -51.8 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 208 | P | 44 | Very low | 33 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -125.6 | -150.5 | -172.4 | 46.1 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 209 | P | 54.8 | Low | 33.1 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | cis | -132.6 | 170.3 | -36.3 | 31.5 | -12 | 0 | 0 | 0 | 116.8 | ||||
| 210 | G | 27 | Very low | 33.2 | Very low | 74 Ų | 74 | 151.4 Ų | 151.4 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | 95.4 | 173.4 | 145 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 211 | P | 41.1 | Very low | 32.8 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | cis | -117.5 | -162.6 | -8 | 42.3 | -28.3 | 0 | 0 | 0 | 113.2 | ||||
| 212 | A | 29.9 | Very low | 33 | Very low | 93 Ų | 93 | 153.8 Ų | 153.8 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -115.3 | 158.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 213 | V | 32 | Very low | 32.8 | Very low | 152 Ų | 152 | 152 Ų | 152 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -142.3 | 138 | 142.5 | -89.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 214 | N | 28.7 | Very low | 32.7 | Very low | 157 Ų | 157 | 156 Ų | 156 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | -136.1 | 167.2 | 169.1 | -158.3 | -0.8 | 0 | 0 | 0 | 107.7 | ||||
| 215 | S | 34.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | 72.3 | 83.2 | 175.5 | -49.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 216 | L | 30.2 | Very low | 32.8 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | trans | -155.4 | 149.8 | 136.4 | -146.5 | 73.2 | 0 | 0 | 0 | 112.3 | ||||
| 217 | R | 30.5 | Very low | 32.6 | Very low | 226 Ų | 226 | 152.7 Ų | 152.7 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | 84.2 | 54.7 | 176.3 | -57.8 | -174.7 | 173.9 | 170.5 | -0.7 | 118.3 | ||||
| 218 | E | 36.8 | Very low | 32.7 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | -87.8 | 91.4 | 123.9 | -177.8 | 166.3 | -146.3 | 0 | 0 | 108.1 | |||||
| 219 | L | 32.3 | Very low | 32 | Very low | 153 Ų | 153 | 154 Ų | 154 | 80% | 0.801 | 83% | 0.83 | S | S | * | * | trans | 177.3 | 135.2 | 159.7 | -103.2 | 158.1 | 0 | 0 | 0 | 111.1 | ||||
| 220 | R | 29.2 | Very low | 31.3 | Very low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | 81.4 | 83.8 | -179.3 | -54.1 | -176.8 | -168.4 | 154.1 | 6.1 | 117 | ||||
| 221 | A | 30.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | trans | -115.2 | 69.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 222 | R | 29.5 | Very low | 32.2 | Very low | 222 Ų | 222 | 155 Ų | 155 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 113 | 163.9 | -91 | -164.4 | 175.8 | -170.8 | 0.2 | 111.4 | ||||
| 223 | Q | 25.7 | Very low | 32.9 | Very low | 146 Ų | 146 | 159.8 Ų | 159.8 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | trans | 73.3 | 106.1 | 142.2 | -66.7 | 171.8 | -86.5 | 0 | 0 | 119.8 | ||||
| 224 | Y | 30.1 | Very low | 33.3 | Very low | 220 Ų | 220 | 157.8 Ų | 157.8 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | trans | 60 | 127.3 | 139.6 | -69.2 | -80.3 | 0 | 0 | 0 | 121.9 | ||||
| 225 | A | 27.8 | Very low | 33.9 | Very low | 98 Ų | 98 | 159.3 Ų | 159.3 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | 170.2 | 161.7 | 113.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 226 | L | 33.8 | Very low | 34.2 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -72 | 158.5 | 158.8 | -67.3 | 107.8 | 0 | 0 | 0 | 108.3 | ||||
| 227 | E | 28.4 | Very low | 35 | Very low | 195 Ų | 195 | 158 Ų | 158 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | -161.6 | -166.6 | 62.1 | -135.1 | -176.4 | 146.9 | 0 | 0 | 115.2 | |||||
| 228 | S | 30.6 | Very low | 35.5 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -68.9 | 148.9 | -167.8 | -168.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 229 | L | 29.5 | Very low | 36.2 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | -174 | 107.2 | 109.7 | -95.5 | 166.3 | 0 | 0 | 0 | 115 | |||||
| 230 | A | 39.1 | Very low | 36.6 | Very low | 75 Ų | 75 | 147 Ų | 147 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | trans | 37 | 89.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 231 | L | 40.4 | Very low | 37 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | trans | -147.3 | 37 | 153.2 | -84.5 | -170.9 | 0 | 0 | 0 | 113.8 | ||||
| 232 | T | 46.7 | Very low | 37.5 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -93.3 | -18.5 | -169.3 | 28.2 | 0 | 0 | 0 | 0 | 117.2 | D234 | T232-D234 PolarHBondContact O-N 3.19Š| ||
| 233 | R | 45.2 | Very low | 38.5 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 73% | 0.725 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -80.7 | -20.4 | -159.8 | -158.6 | 159.8 | 75.2 | 167.1 | 2.2 | 117.2 | ||
| 234 | D | 39.6 | Very low | 39.4 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 59% | 0.588 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -97.5 | -16 | -179.8 | -61 | -56.5 | 0 | 0 | 0 | 113.5 | T232 R237 L238 | T232-D234 PolarHBondContact O-N 3.19Å; D234-R237 IonicContact OD1-NH1 3.17Å; D234-R237 PolarHBondContact OD1-NH1 3.15Å; D234-R237 VanDerWaalsContact OD1-NH1 3.17Å; D234-L238 PolarHBondContact O-N 3.02Å |
| 235 | R | 42.1 | Very low | 40 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.9 | -40.8 | 172.4 | 178.2 | 174.3 | 166 | 133.8 | 0 | 112 | L238 L239 | R235-L238 PolarHBondContact O-N 3.43Å; R235-L239 HydrophobicContact CG-CD1 4.43Å; R235-L239 PolarHBondContact O-N 3.44Å |
| 236 | D | 39.9 | Very low | 40.9 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -66.1 | -44.4 | -180 | -63.3 | -21.1 | 0 | 0 | 0 | 111.1 | L238 L239 D240 | D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.49Å; D236-L239 WeakPolarHBondContact O-CB 3.33Å; D236-L239 PolarHBondContact O-N 3.13Å; D236-D240 PolarHBondContact O-N 3.05Å |
| 237 | R | 47.7 | Very low | 41.3 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -58.3 | -34.6 | 175.5 | -73.4 | 170.4 | 159.7 | 178.8 | -11.6 | 113.7 | D234 L239 Y241 | D234-R237 IonicContact OD1-NH1 3.17Å; D234-R237 PolarHBondContact OD1-NH1 3.15Å; D234-R237 VanDerWaalsContact OD1-NH1 3.17Å; R237-L239 VanDerWaalsContact C-N 3.35Å; R237-Y241 PolarHBondContact O-N 3.44Å |
| 238 | L | 42.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 62% | 0.618 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.5 | -32.6 | 177.5 | -159.8 | 75.6 | 0 | 0 | 0 | 111.5 | D234 R235 D236 Y242 | D234-L238 PolarHBondContact O-N 3.02Å; R235-L238 PolarHBondContact O-N 3.43Å; D236-L238 VanDerWaalsContact C-N 3.26Å; D236-L238 PolarHBondContact O-N 3.49Å; L238-Y242 WeakPolarHBondContact O-CD2 3.4Å |
| 239 | L | 49.6 | Very low | 42.6 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 57% | 0.571 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.7 | -42.8 | 175.6 | -70.9 | 162.7 | 0 | 0 | 0 | 111.5 | R235 D236 R237 Y241 Y242 G243 | R235-L239 HydrophobicContact CG-CD1 4.43Å; R235-L239 PolarHBondContact O-N 3.44Å; D236-L239 WeakPolarHBondContact O-CB 3.33Å; D236-L239 PolarHBondContact O-N 3.13Å; R237-L239 VanDerWaalsContact C-N 3.35Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-Y241 PolarHBondContact O-N 3.31Å; L239-Y242 PolarHBondContact O-N 3.25Å; L239-G243 PolarHBondContact O-N 2.97Å; L239-G243 VanDerWaalsContact O-N 3.09Å |
| 240 | D | 42.2 | Very low | 43.3 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -56.4 | -40 | 174.9 | -71.5 | -29.3 | 0 | 0 | 0 | 112.1 | D236 Y242 G243 M244 | D236-D240 PolarHBondContact O-N 3.05Å; D240-Y242 PolarHBondContact O-N 2.86Å; D240-G243 PolarHBondContact O-N 3.43Å; D240-M244 PolarHBondContact O-N 2.85Å |
| 241 | Y | 36.5 | Very low | 43.3 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.9 | -36.2 | -177.2 | -163.3 | -93.3 | 0 | 0 | 0 | 113.3 | R237 L239 | R237-Y241 PolarHBondContact O-N 3.44Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-Y241 PolarHBondContact O-N 3.31Å |
| 242 | Y | 41.5 | Very low | 43.2 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 63% | 0.627 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.7 | -35.7 | 175.2 | -83.4 | -84 | 0 | 0 | 0 | 112.4 | L238 L239 D240 M244 L245 | L238-Y242 WeakPolarHBondContact O-CD2 3.4Å; L239-Y242 PolarHBondContact O-N 3.25Å; D240-Y242 PolarHBondContact O-N 2.86Å; Y242-M244 VanDerWaalsContact C-N 3.25Å; Y242-M244 PolarHBondContact O-N 2.87Å; Y242-L245 PolarHBondContact O-N 2.97Å |
| 243 | G | 50.8 | Low | 42.6 | Very low | 43 Ų | 43 | 138.2 Ų | 138.2 | 44% | 0.443 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -58.8 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L239 D240 L245 | L239-G243 PolarHBondContact O-N 2.97Å; L239-G243 VanDerWaalsContact O-N 3.09Å; D240-G243 PolarHBondContact O-N 3.43Å; G243-L245 PolarHBondContact O-N 3.4Å |
| 244 | M | 44.7 | Very low | 42.1 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 57% | 0.571 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.8 | -13.7 | 179.7 | -79.3 | -61.2 | -45.2 | 0 | 0 | 115.6 | D240 Y242 | D240-M244 PolarHBondContact O-N 2.85Å; Y242-M244 VanDerWaalsContact C-N 3.25Å; Y242-M244 PolarHBondContact O-N 2.87Å |
| 245 | L | 43 | Very low | 42.2 | Very low | 118 Ų | 118 | 139 Ų | 139 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -87.7 | -35.3 | -177.4 | -80.5 | 161.1 | 0 | 0 | 0 | 113.2 | Y242 G243 | Y242-L245 PolarHBondContact O-N 2.97Å; G243-L245 PolarHBondContact O-N 3.4Å |
| 246 | D | 46 | Very low | 42.1 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.5 | -25 | -176.3 | -79.3 | -22.4 | 0 | 0 | 0 | 113.8 | R248 G249 | D246-R248 PolarHBondContact O-N 3.47Å; D246-R248 VanDerWaalsContact O-N 3.15Å; D246-G249 PolarHBondContact O-N 3.08Å |
| 247 | E | 42.4 | Very low | 41.9 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -66.8 | -17.7 | -172.9 | -70.7 | -154.9 | 127.3 | 0 | 0 | 114.8 | G249 | E247-G249 VanDerWaalsContact C-N 3.29Å; E247-G249 PolarHBondContact O-N 2.99Å |
| 248 | R | 39.8 | Very low | 41.6 | Very low | 230 Ų | 230 | 136.9 Ų | 136.9 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -80.2 | -3.3 | -176.1 | -67.5 | -175.2 | 176.7 | 178.6 | 0.1 | 114.7 | D246 | D246-R248 PolarHBondContact O-N 3.47Å; D246-R248 VanDerWaalsContact O-N 3.15Å |
| 249 | G | 46.3 | Very low | 41.4 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -104.5 | 0.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | D246 E247 | D246-G249 PolarHBondContact O-N 3.08Å; E247-G249 VanDerWaalsContact C-N 3.29Å; E247-G249 PolarHBondContact O-N 2.99Å |
| 250 | R | 43.4 | Very low | 41.2 | Very low | 224 Ų | 224 | 137.9 Ų | 137.9 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | -120 | 125.4 | -170 | -67.5 | -65.4 | -170.4 | 178.9 | 0.3 | 114.1 | ||||
| 251 | P | 38.6 | Very low | 41.2 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -74.5 | 148.4 | 168.7 | 31.3 | -33.6 | 0 | 0 | 0 | 111.9 | G253 | P251-G253 PolarHBondContact O-N 3.37Š| ||
| 252 | F | 40 | Very low | 41.7 | Very low | 220 Ų | 220 | 136.6 Ų | 136.6 | 97% | 0.965 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -41.3 | 123.9 | -174.9 | -64.6 | -96.6 | 0 | 0 | 0 | 116.2 | ||
| 253 | G | 34.3 | Very low | 42.4 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | -179.6 | 74.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | P251 | P251-G253 PolarHBondContact O-N 3.37Š| ||
| 254 | F | 33.9 | Very low | 42.6 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | 65.3 | 145.1 | 169.8 | -66.9 | -93.3 | 0 | 0 | 0 | 118.1 | ||||
| 255 | P | 40.6 | Very low | 43.3 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 153.8 | 170.4 | 33.3 | -35 | 0 | 0 | 0 | 111.1 | M257 | P255-M257 PolarHBondContact O-N 3.22Š|
| 256 | P | 40 | Very low | 44 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124.8 | 172.5 | 27.2 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 257 | M | 36.3 | Very low | 44.2 | Very low | 159 Ų | 159 | 124 Ų | 124 | 78% | 0.783 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -62 | 147.9 | 160.6 | -76.2 | -74.5 | -68.4 | 0 | 0 | 108.7 | P255 V259 | P255-M257 PolarHBondContact O-N 3.22Å; M257-V259 PolarHBondContact O-N 3.09Å |
| 258 | P | 40.6 | Very low | 45.2 | Very low | 103 Ų | 103 | 118.2 Ų | 118.2 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 127.2 | 174.4 | 25.1 | -33.9 | 0 | 0 | 0 | 109.1 | V260 | P258-V260 PolarHBondContact O-N 2.76Š|
| 259 | V | 39.2 | Very low | 46.2 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 80% | 0.8 | 62% | 0.624 | S | S | * | * | trans | -64.5 | 105.2 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 106 | M257 E261 | M257-V259 PolarHBondContact O-N 3.09Å; V259-E261 PolarHBondContact O-N 2.88Å; V259-E261 VanDerWaalsContact O-N 3.14Å | ||
| 260 | V | 45.9 | Very low | 46.8 | Very low | 116 Ų | 116 | 122 Ų | 122 | 70% | 0.703 | 63% | 0.629 | S | S | * | * | trans | -66.5 | 109.8 | 162 | -74.9 | 0 | 0 | 0 | 0 | 105.9 | P258 D262 | P258-V260 PolarHBondContact O-N 2.76Å; V260-D262 PolarHBondContact O-N 3.17Å | ||
| 261 | E | 41.2 | Very low | 48.1 | Very low | 164 Ų | 164 | 111.3 Ų | 111.3 | 77% | 0.766 | 59% | 0.588 | S | S | * | * | trans | -55.3 | 125.1 | 172.7 | -67.9 | 169.2 | 113.7 | 0 | 0 | 107.6 | V259 L263 | V259-E261 PolarHBondContact O-N 2.88Å; V259-E261 VanDerWaalsContact O-N 3.14Å; E261-L263 PolarHBondContact O-N 2.89Å | ||
| 262 | D | 47.3 | Very low | 50.2 | Low | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | trans | -73.5 | 75.6 | 176.5 | -95.6 | -49.4 | 0 | 0 | 0 | 108.7 | V260 K264 K330 | V260-D262 PolarHBondContact O-N 3.17Å; D262-K264 PolarHBondContact O-N 2.68Å; D262-K330 IonicContact OD1-NZ 3.75Å; D262-K330 PolarHBondContact OD1-NZ 2.91Å | ||
| 263 | L | 55.3 | Low | 52.2 | Low | 90 Ų | 90 | 95.7 Ų | 95.7 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | trans | -48.2 | 134.3 | 171.4 | -69.6 | 171.6 | 0 | 0 | 0 | 109.3 | E261 D267 D268 | E261-L263 PolarHBondContact O-N 2.89Å; L263-D267 HydrophobicContact CD2-CB 4.47Å; L263-D268 HydrophobicContact CB-CB 4.21Å | ||
| 264 | K | 56.6 | Low | 54.8 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 50% | 0.504 | 48% | 0.482 | S | S | . | . | trans | -54.9 | 150.9 | 172.7 | -65.6 | 178.6 | 177.2 | -178.7 | 0 | 109 | D262 E266 D267 D268 | D262-K264 PolarHBondContact O-N 2.68Å; K264-E266 HydrophobicContact CB-CB 4.31Å; K264-E266 PolarHBondContact O-N 3.41Å; K264-D267 PolarHBondContact O-N 2.96Å; K264-D268 PolarHBondContact O-N 3.02Å | ||
| 265 | P | 59 | Low | 57.4 | Low | 7 Ų | 7 | 83.4 Ų | 83.4 | 5% | 0.045 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -10.3 | 178.9 | 31.4 | -37.3 | 0 | 0 | 0 | 113.1 | A271 L323 H327 R410 | P265-A271 HydrophobicContact CB-CB 4Å; P265-L323 HydrophobicContact CB-CD2 3.83Å; P265-L323 HydrophobicContact CG-CD2 4.36Å; P265-H327 HydrophobicContact CB-CB 4.08Å; P265-H327 HydrophobicContact CG-CB 3.98Å; P265-R410 PolarHBondContact O-NH2 3.27Å |
| 266 | E | 57.3 | Low | 59.8 | Low | 33 Ų | 33 | 81.7 Ų | 81.7 | 15% | 0.154 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -40 | 165.1 | -72.8 | 142.7 | -138.8 | 0 | 0 | 112.6 | K264 R420 R422 | K264-E266 HydrophobicContact CB-CB 4.31Å; K264-E266 PolarHBondContact O-N 3.41Å; E266-R420 HydrophobicContact CB-CB 4.23Å; E266-R420 HydrophobicContact CG-CB 3.87Å; E266-R422 HydrophobicContact CG-CG 3.53Å; E266-R422 IonicContact OE1-CZ 2.63Å; E266-R422 IonicContact OE1-NH1 2.79Å; E266-R422 PolarHBondContact OE1-NH1 3.08Å |
| 267 | D | 50.4 | Low | 62.2 | Low | 65 Ų | 65 | 75.5 Ų | 75.5 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -31.3 | -169.2 | -56.1 | -47.6 | 0 | 0 | 0 | 112.4 | L263 K264 Q269 R420 | L263-D267 HydrophobicContact CD2-CB 4.47Å; K264-D267 PolarHBondContact O-N 2.96Å; D267-Q269 PolarHBondContact O-N 3.38Å; D267-Q269 VanDerWaalsContact O-N 3.16Å; D267-R420 IonicContact OD1-CZ 2.59Å; D267-R420 IonicContact OD1-NH1 3.58Å; D267-R420 PolarHBondContact OD1-NH1 3.28Å |
| 268 | D | 62.8 | Low | 64.6 | Low | 34 Ų | 34 | 68.3 Ų | 68.3 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -75.6 | 102.6 | 171 | -174.7 | 3.9 | 0 | 0 | 0 | 110.8 | L263 K264 R270 A271 Y347 R410 | L263-D268 HydrophobicContact CB-CB 4.21Å; K264-D268 PolarHBondContact O-N 3.02Å; D268-R270 PolarHBondContact O-N 2.63Å; D268-R270 WeakPolarHBondContact OD1-CA 3.25Å; D268-R270 WeakPolarHBondContact OD1-CB 3.37Å; D268-R270 PolarHBondContact OD1-N 3.43Å; D268-A271 HydrophobicContact CB-CB 4.19Å; D268-A271 WeakPolarHBondContact O-CB 3.49Å; D268-A271 PolarHBondContact O-N 3.43Å; D268-Y347 VanDerWaalsContact OD2-CD2 3.28Å; D268-Y347 WeakPolarHBondContact OD2-CD2 3.23Å; D268-Y347 WeakPolarHBondContact OD2-CE2 3.23Å; D268-R410 PolarHBondContact O-NE 2.73Å; D268-R410 PolarHBondContact O-NH2 3.28Å; D268-R410 VanDerWaalsContact O-NH2 3.11Å | ||
| 269 | Q | 60.3 | Low | 66.8 | Low | 171 Ų | 171 | 66.6 Ų | 66.6 | 80% | 0.799 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -19.7 | 173.2 | -68.2 | -176.9 | -10.4 | 0 | 0 | 113.9 | D267 R410 | D267-Q269 PolarHBondContact O-N 3.38Å; D267-Q269 VanDerWaalsContact O-N 3.16Å; Q269-R410 PolarHBondContact O-NH1 3.29Å; Q269-R410 VanDerWaalsContact O-NH1 3.15Å |
| 270 | R | 60.1 | Low | 69 | Low | 201 Ų | 201 | 60.5 Ų | 60.5 | 76% | 0.758 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -8.2 | 178.4 | -52.8 | 178.1 | 178.1 | -178.8 | 1 | 113.4 | D268 T272 Y347 | D268-R270 PolarHBondContact O-N 2.63Å; D268-R270 WeakPolarHBondContact OD1-CA 3.25Å; D268-R270 WeakPolarHBondContact OD1-CB 3.37Å; D268-R270 PolarHBondContact OD1-N 3.43Å; R270-T272 PolarHBondContact O-N 2.77Å; R270-Y347 WeakPolarHBondContact O-CB 3.36Å |
| 271 | A | 71.3 | Confident | 70.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -68.5 | 126.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P265 D268 L323 Y347 R410 | P265-A271 HydrophobicContact CB-CB 4Å; D268-A271 HydrophobicContact CB-CB 4.19Å; D268-A271 WeakPolarHBondContact O-CB 3.49Å; D268-A271 PolarHBondContact O-N 3.43Å; A271-L323 VanDerWaalsContact O-CD1 3.31Å; A271-L323 WeakPolarHBondContact O-CD1 3.49Å; A271-Y347 HydrophobicContact CB-CD1 4.18Å; A271-Y347 HydrophobicContact CB-CD2 3.95Å; A271-Y347 HydrophobicContact CB-CE1 3.73Å; A271-Y347 HydrophobicContact CB-CE2 3.46Å; A271-Y347 VanDerWaalsContact CB-CE2 3.46Å; A271-Y347 HydrophobicContact CB-CG 4.26Å; A271-R410 VanDerWaalsContact O-CZ 3.24Å; A271-R410 PolarHBondContact O-NH1 3.5Å; A271-R410 PolarHBondContact O-NH2 3.02Å | ||
| 272 | T | 82.1 | Confident | 72.4 | Confident | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | trans | -142.8 | 161.5 | -174.8 | 60.1 | 0 | 0 | 0 | 0 | 110.5 | R270 N274 A326 G348 A350 | R270-T272 PolarHBondContact O-N 2.77Å; T272-N274 PolarHBondContact O-N 3.07Å; T272-N274 PolarHBondContact OG1-O 2.85Å; T272-N274 VanDerWaalsContact OG1-O 3.05Å; T272-A326 WeakPolarHBondContact O-CB 3.43Å; T272-G348 PolarHBondContact OG1-O 2.85Å; T272-A350 HydrophobicContact CG2-CB 3.67Å | ||
| 273 | S | 82.2 | Confident | 73.9 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -64.1 | -18.7 | 171.1 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | F320 D424 | S273-F320 PolarHBondContact O-N 3.29Å; S273-D424 WeakPolarHBondContact CB-OD2 3.38Å; S273-D424 PolarHBondContact N-OD2 2.86Å; S273-D424 PolarHBondContact OG-OD2 3.42Å |
| 274 | N | 88.5 | Confident | 75.3 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111.8 | 172.6 | -72.3 | -8.7 | 0 | 0 | 0 | 110.1 | T272 K319 G348 K349 | T272-N274 PolarHBondContact O-N 3.07Å; T272-N274 PolarHBondContact OG1-O 2.85Å; T272-N274 VanDerWaalsContact OG1-O 3.05Å; N274-K319 WeakPolarHBondContact OD1-CB 3.44Å; N274-K319 WeakPolarHBondContact OD1-CD 3.11Å; N274-K319 WeakPolarHBondContact OD1-CG 3.37Å; N274-G348 WeakPolarHBondContact O-CA 3.38Å; N274-G348 PolarHBondContact O-N 2.87Å; N274-K349 PolarHBondContact ND2-O 3.32Å |
| 275 | L | 89.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.9 | 167.8 | -61.4 | -172.4 | 0 | 0 | 0 | 111.3 | F317 V318 F320 A326 A329 K330 I345 Y347 | L275-F317 CarbonylContact O-C 3.58Å; L275-F317 VanDerWaalsContact O-CA 3.27Å; L275-F317 WeakPolarHBondContact O-CA 3.46Å; L275-V318 PolarHBondContact N-O 3Å; L275-V318 PolarHBondContact O-N 2.79Å; L275-F320 HydrophobicContact CD1-CD2 4.29Å; L275-F320 HydrophobicContact CD1-CE2 3.68Å; L275-F320 HydrophobicContact CG-CD2 4.31Å; L275-F320 HydrophobicContact CG-CE2 4.13Å; L275-A326 HydrophobicContact CD1-CB 4.49Å; L275-A326 WeakPolarHBondContact CD1-O 3.48Å; L275-A326 HydrophobicContact CD2-CB 3.91Å; L275-A326 HydrophobicContact CG-CB 4.01Å; L275-A329 HydrophobicContact CD1-CB 3.79Å; L275-K330 HydrophobicContact CD1-CB 4.45Å; L275-K330 HydrophobicContact CD2-CB 4.29Å; L275-I345 HydrophobicContact CB-CG2 4.2Å; L275-I345 HydrophobicContact CD1-CG2 3.96Å; L275-I345 HydrophobicContact CD2-CG2 4.24Å; L275-I345 HydrophobicContact CG-CG2 4.37Å; L275-Y347 HydrophobicContact CD2-CD1 3.72Å; L275-Y347 HydrophobicContact CD2-CE1 3.97Å |
| 276 | F | 89.9 | Confident | 78.1 | Confident | 71 Ų | 71 | 49.2 Ų | 49.2 | 31% | 0.311 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 128 | 163.2 | 166.3 | -96.4 | 0 | 0 | 0 | 108.9 | Y315 F317 I345 G346 | F276-Y315 HydrophobicContact CD2-CD2 4.38Å; F276-Y315 AromaticContact CE2-CD2 3.7Å; F276-Y315 HydrophobicContact CE2-CD2 3.7Å; F276-Y315 AromaticContact CE2-CG 3.97Å; F276-Y315 HydrophobicContact CE2-CG 3.97Å; F276-F317 HydrophobicContact CB-CD1 4.22Å; F276-F317 HydrophobicContact CB-CE1 4.03Å; F276-F317 HydrophobicContact CD2-CD1 4.31Å; F276-F317 AromaticContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE2 4.45Å; F276-F317 AromaticContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CE2-CZ 4.38Å; F276-F317 HydrophobicContact CG-CE1 4.32Å; F276-I345 WeakPolarHBondContact O-CA 3.43Å; F276-G346 PolarHBondContact N-O 3.36Å; F276-G346 PolarHBondContact O-N 3.28Å; F276-G346 VanDerWaalsContact O-O 3.11Å |
| 277 | I | 89.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 102.8 | 178 | -49.9 | 169.2 | 0 | 0 | 0 | 107.9 | L280 L289 F293 Y315 A316 V318 I343 | I277-L280 HydrophobicContact CB-CD1 4.49Å; I277-L280 HydrophobicContact CG2-CD1 4.26Å; I277-L280 HydrophobicContact CG2-CD2 3.82Å; I277-L280 HydrophobicContact CG2-CG 4.03Å; I277-L289 HydrophobicContact CD1-CD2 4.37Å; I277-F293 HydrophobicContact CD1-CD2 4.12Å; I277-F293 HydrophobicContact CD1-CE1 4.25Å; I277-F293 HydrophobicContact CD1-CE2 3.45Å; I277-F293 VanDerWaalsContact CD1-CE2 3.45Å; I277-F293 HydrophobicContact CD1-CZ 3.52Å; I277-F293 HydrophobicContact CG1-CZ 4.22Å; I277-Y315 CarbonylContact O-C 3.55Å; I277-Y315 WeakPolarHBondContact O-CA 3.42Å; I277-Y315 WeakPolarHBondContact O-CB 3.29Å; I277-A316 PolarHBondContact N-O 3.44Å; I277-A316 PolarHBondContact O-N 2.85Å; I277-V318 HydrophobicContact CD1-CB 4.27Å; I277-V318 HydrophobicContact CD1-CG2 3.51Å; I277-I343 HydrophobicContact CG2-CB 3.89Å; I277-I343 HydrophobicContact CG2-CD1 4.1Å; I277-I343 HydrophobicContact CG2-CG1 4.32Å; I277-I343 HydrophobicContact CG2-CG2 4.41Å |
| 278 | G | 87 | Confident | 81.2 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 170.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L280 K344 | G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 2.9Å; G278-K344 PolarHBondContact N-O 2.86Å; G278-K344 PolarHBondContact O-N 3.39Å |
| 279 | N | 86.7 | Confident | 82.4 | Confident | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61.2 | 36.2 | -179.8 | -156 | 64.8 | 0 | 0 | 0 | 113.8 | A314 N341 P342 K344 | N279-A314 PolarHBondContact N-O 3.37Å; N279-N341 WeakPolarHBondContact O-CB 3.24Å; N279-P342 PolarHBondContact ND2-O 2.9Å; N279-K344 HydrophobicContact CB-CG 4.39Å |
| 280 | L | 85.7 | Confident | 83.8 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 147.5 | 167.8 | -64.8 | 173.4 | 0 | 0 | 0 | 110 | I277 G278 V284 L289 A314 A316 I343 | I277-L280 HydrophobicContact CB-CD1 4.49Å; I277-L280 HydrophobicContact CG2-CD1 4.26Å; I277-L280 HydrophobicContact CG2-CD2 3.82Å; I277-L280 HydrophobicContact CG2-CG 4.03Å; G278-L280 VanDerWaalsContact C-N 3.32Å; G278-L280 PolarHBondContact O-N 2.9Å; L280-V284 HydrophobicContact CB-CG2 4.44Å; L280-V284 HydrophobicContact CD2-CG1 4.41Å; L280-L289 HydrophobicContact CD1-CD1 4.07Å; L280-L289 HydrophobicContact CD1-CD2 4.2Å; L280-L289 HydrophobicContact CD2-CD2 3.92Å; L280-A314 HydrophobicContact CB-CB 3.99Å; L280-A314 PolarHBondContact N-O 2.85Å; L280-A314 PolarHBondContact O-N 2.79Å; L280-A316 HydrophobicContact CD1-CB 3.6Å; L280-I343 HydrophobicContact CD2-CB 4.46Å; L280-I343 HydrophobicContact CD2-CG2 3.64Å |
| 281 | D | 81.6 | Confident | 85 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | trans | -67.1 | 153.9 | 167.2 | -176.6 | 49.2 | 0 | 0 | 0 | 111.8 | N283 V284 G339 N341 | D281-N283 PolarHBondContact O-N 3.27Å; D281-N283 VanDerWaalsContact OD2-CB 3.31Å; D281-N283 WeakPolarHBondContact OD2-CB 3.21Å; D281-N283 PolarHBondContact OD2-N 2.99Å; D281-N283 VanDerWaalsContact OD2-N 3.08Å; D281-N283 PolarHBondContact OD2-ND2 3.47Å; D281-V284 HydrophobicContact CB-CG2 4.01Å; D281-V284 PolarHBondContact O-N 3.1Å; D281-G339 WeakPolarHBondContact CB-O 3.24Å; D281-N341 WeakPolarHBondContact CA-ND2 3.12Å; D281-N341 WeakPolarHBondContact CB-ND2 3.11Å | ||
| 282 | G | 76.9 | Confident | 85.7 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 38% | 0.381 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R306 | G282-R306 PolarHBondContact O-NE 3.35Å; G282-R306 VanDerWaalsContact O-NE 3.14Å; G282-R306 PolarHBondContact O-NH2 2.82Å |
| 283 | N | 80.3 | Confident | 86 | Confident | 129 Ų | 129 | 46.3 Ų | 46.3 | 69% | 0.69 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.9 | -178.2 | -58.7 | -46.8 | 0 | 0 | 0 | 113.9 | D281 T285 R306 | D281-N283 PolarHBondContact O-N 3.27Å; D281-N283 VanDerWaalsContact OD2-CB 3.31Å; D281-N283 WeakPolarHBondContact OD2-CB 3.21Å; D281-N283 PolarHBondContact OD2-N 2.99Å; D281-N283 VanDerWaalsContact OD2-N 3.08Å; D281-N283 PolarHBondContact OD2-ND2 3.47Å; N283-T285 PolarHBondContact O-N 3.15Å; N283-R306 PolarHBondContact O-NH2 3.06Å |
| 284 | V | 83.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | trans | -54.8 | 123.7 | -171.1 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | L280 D281 E288 L289 R306 I338 | L280-V284 HydrophobicContact CB-CG2 4.44Å; L280-V284 HydrophobicContact CD2-CG1 4.41Å; D281-V284 HydrophobicContact CB-CG2 4.01Å; D281-V284 PolarHBondContact O-N 3.1Å; V284-E288 HydrophobicContact CG1-CB 4.25Å; V284-L289 HydrophobicContact CG1-CD2 4.02Å; V284-L289 HydrophobicContact CG1-CG 3.96Å; V284-R306 PolarHBondContact O-NH2 2.81Å; V284-I338 HydrophobicContact CG1-CG2 3.81Å; V284-I338 HydrophobicContact CG2-CG2 3.96Å | ||
| 285 | T | 86.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | trans | -89.5 | 162.9 | 178.5 | 65.5 | 0 | 0 | 0 | 0 | 113 | N283 A287 E288 L289 | N283-T285 PolarHBondContact O-N 3.15Å; T285-A287 PolarHBondContact O-N 3.06Å; T285-E288 VanDerWaalsContact CB-OE1 3.28Å; T285-E288 WeakPolarHBondContact CB-OE1 3.26Å; T285-E288 WeakPolarHBondContact CG2-OE1 3.36Å; T285-E288 PolarHBondContact N-OE1 2.85Å; T285-E288 PolarHBondContact O-N 2.95Å; T285-E288 WeakPolarHBondContact OG1-CG 3.46Å; T285-E288 PolarHBondContact OG1-N 3.48Å; T285-E288 PolarHBondContact OG1-OE1 3.08Å; T285-L289 PolarHBondContact O-N 3.19Å | ||
| 286 | E | 87.6 | Confident | 86 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 173.1 | -159.3 | -166.2 | 138.6 | 0 | 0 | 111.9 | E288 L289 R290 V302 I304 | E286-E288 PolarHBondContact O-N 3.2Å; E286-L289 PolarHBondContact O-N 2.94Å; E286-R290 WeakPolarHBondContact O-CG 3.27Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-R290 IonicContact OE1-CZ 3.61Å; E286-R290 IonicContact OE1-NE 2.74Å; E286-R290 PolarHBondContact OE1-NE 2.74Å; E286-R290 IonicContact OE1-NH2 3.67Å; E286-R290 PolarHBondContact OE1-NH2 3.43Å; E286-V302 HydrophobicContact CG-CB 3.69Å; E286-V302 HydrophobicContact CG-CG1 3.6Å; E286-V302 HydrophobicContact CG-CG2 4.43Å; E286-I304 HydrophobicContact CB-CD1 4.2Å |
| 287 | A | 86.1 | Confident | 85.7 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 45% | 0.446 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T285 R291 | T285-A287 PolarHBondContact O-N 3.06Å; A287-R291 WeakPolarHBondContact O-CB 3.34Å; A287-R291 VanDerWaalsContact O-CG 3.23Å; A287-R291 WeakPolarHBondContact O-CG 3.27Å; A287-R291 PolarHBondContact O-N 2.72Å |
| 288 | E | 86.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 172.8 | -72.7 | 154.9 | -109.3 | 0 | 0 | 112 | V284 T285 E286 G292 | V284-E288 HydrophobicContact CG1-CB 4.25Å; T285-E288 VanDerWaalsContact CB-OE1 3.28Å; T285-E288 WeakPolarHBondContact CB-OE1 3.26Å; T285-E288 WeakPolarHBondContact CG2-OE1 3.36Å; T285-E288 PolarHBondContact N-OE1 2.85Å; T285-E288 PolarHBondContact O-N 2.95Å; T285-E288 WeakPolarHBondContact OG1-CG 3.46Å; T285-E288 PolarHBondContact OG1-N 3.48Å; T285-E288 PolarHBondContact OG1-OE1 3.08Å; E286-E288 PolarHBondContact O-N 3.2Å; E288-G292 PolarHBondContact O-N 3.3Å |
| 289 | L | 87.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -48.3 | 176.2 | -65.9 | 178.8 | 0 | 0 | 0 | 110.7 | I277 L280 V284 T285 E286 R291 G292 F293 V302 I304 A316 I338 | I277-L289 HydrophobicContact CD1-CD2 4.37Å; L280-L289 HydrophobicContact CD1-CD1 4.07Å; L280-L289 HydrophobicContact CD1-CD2 4.2Å; L280-L289 HydrophobicContact CD2-CD2 3.92Å; V284-L289 HydrophobicContact CG1-CD2 4.02Å; V284-L289 HydrophobicContact CG1-CG 3.96Å; T285-L289 PolarHBondContact O-N 3.19Å; E286-L289 PolarHBondContact O-N 2.94Å; L289-R291 PolarHBondContact O-N 3.05Å; L289-G292 PolarHBondContact O-N 3.4Å; L289-G292 VanDerWaalsContact O-N 3.11Å; L289-F293 HydrophobicContact CD2-CE2 4.27Å; L289-F293 WeakPolarHBondContact O-CB 3.36Å; L289-F293 VanDerWaalsContact O-CD2 3.32Å; L289-F293 WeakPolarHBondContact O-CD2 3.11Å; L289-F293 PolarHBondContact O-N 2.98Å; L289-V302 HydrophobicContact CB-CG1 4.39Å; L289-V302 HydrophobicContact CD1-CG1 4.05Å; L289-I304 HydrophobicContact CD1-CD1 3.77Å; L289-I304 HydrophobicContact CD1-CG1 3.82Å; L289-A316 HydrophobicContact CD1-CB 3.52Å; L289-I338 HydrophobicContact CD2-CD1 4.11Å |
| 290 | R | 88.9 | Confident | 85.6 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.2 | -55.2 | 175.8 | -72.6 | -177.3 | -176.2 | -104.4 | 2.9 | 110.8 | E286 G292 F293 D294 I299 V302 | E286-R290 WeakPolarHBondContact O-CG 3.27Å; E286-R290 PolarHBondContact O-N 2.92Å; E286-R290 IonicContact OE1-CZ 3.61Å; E286-R290 IonicContact OE1-NE 2.74Å; E286-R290 PolarHBondContact OE1-NE 2.74Å; E286-R290 IonicContact OE1-NH2 3.67Å; E286-R290 PolarHBondContact OE1-NH2 3.43Å; R290-G292 PolarHBondContact O-N 3.02Å; R290-F293 PolarHBondContact O-N 2.86Å; R290-F293 VanDerWaalsContact O-N 3.08Å; R290-D294 WeakPolarHBondContact O-CB 3.38Å; R290-D294 PolarHBondContact O-N 3Å; R290-I299 HydrophobicContact CG-CD1 4.47Å; R290-V302 HydrophobicContact CG-CG2 4Å |
| 291 | R | 87 | Confident | 85.5 | Confident | 213 Ų | 213 | 64.4 Ų | 64.4 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.3 | -33.6 | 176.3 | -70.8 | 174 | -176.9 | -147.9 | 1.6 | 113.5 | A287 L289 | A287-R291 WeakPolarHBondContact O-CB 3.34Å; A287-R291 VanDerWaalsContact O-CG 3.23Å; A287-R291 WeakPolarHBondContact O-CG 3.27Å; A287-R291 PolarHBondContact O-N 2.72Å; L289-R291 PolarHBondContact O-N 3.05Å |
| 292 | G | 85.3 | Confident | 85.8 | Confident | 13 Ų | 13 | 62.8 Ų | 62.8 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.3 | -33.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E288 L289 R290 K295 | E288-G292 PolarHBondContact O-N 3.3Å; L289-G292 PolarHBondContact O-N 3.4Å; L289-G292 VanDerWaalsContact O-N 3.11Å; R290-G292 PolarHBondContact O-N 3.02Å; G292-K295 PolarHBondContact O-NZ 3.25Å |
| 293 | F | 87.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -111.6 | -26.1 | -167.3 | -81.3 | -82 | 0 | 0 | 0 | 115.2 | I277 L289 R290 K295 Y296 I299 F320 A329 M333 I338 I343 I345 | I277-F293 HydrophobicContact CD1-CD2 4.12Å; I277-F293 HydrophobicContact CD1-CE1 4.25Å; I277-F293 HydrophobicContact CD1-CE2 3.45Å; I277-F293 VanDerWaalsContact CD1-CE2 3.45Å; I277-F293 HydrophobicContact CD1-CZ 3.52Å; I277-F293 HydrophobicContact CG1-CZ 4.22Å; L289-F293 HydrophobicContact CD2-CE2 4.27Å; L289-F293 WeakPolarHBondContact O-CB 3.36Å; L289-F293 VanDerWaalsContact O-CD2 3.32Å; L289-F293 WeakPolarHBondContact O-CD2 3.11Å; L289-F293 PolarHBondContact O-N 2.98Å; R290-F293 PolarHBondContact O-N 2.86Å; R290-F293 VanDerWaalsContact O-N 3.08Å; F293-K295 PolarHBondContact O-N 3.35Å; F293-Y296 PolarHBondContact O-N 3.26Å; F293-I299 HydrophobicContact CB-CD1 3.76Å; F293-F320 HydrophobicContact CB-CZ 4.05Å; F293-F320 HydrophobicContact CD1-CZ 4.04Å; F293-F320 HydrophobicContact CG-CZ 4.48Å; F293-A329 HydrophobicContact CD1-CB 3.95Å; F293-A329 HydrophobicContact CE1-CB 4.3Å; F293-M333 HydrophobicContact CD1-CG 4.22Å; F293-M333 HydrophobicContact CD2-CE 4.43Å; F293-M333 HydrophobicContact CE1-CB 3.75Å; F293-M333 HydrophobicContact CE1-CG 3.82Å; F293-M333 HydrophobicContact CE2-CE 4.03Å; F293-M333 HydrophobicContact CZ-CB 3.85Å; F293-M333 HydrophobicContact CZ-CE 4.16Å; F293-M333 HydrophobicContact CZ-CG 4.13Å; F293-I338 HydrophobicContact CE2-CD1 4.07Å; F293-I343 HydrophobicContact CE2-CD1 4.14Å; F293-I343 HydrophobicContact CZ-CD1 3.81Å; F293-I345 HydrophobicContact CE1-CD1 3.78Å; F293-I345 HydrophobicContact CZ-CD1 3.73Å |
| 294 | D | 87.3 | Confident | 86.7 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 55% | 0.545 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -54.5 | -37.6 | -177.6 | 179 | 72.6 | 0 | 0 | 0 | 113 | R290 Y296 G297 I299 | R290-D294 WeakPolarHBondContact O-CB 3.38Å; R290-D294 PolarHBondContact O-N 3Å; D294-Y296 PolarHBondContact O-N 2.71Å; D294-G297 PolarHBondContact O-N 2.84Å; D294-I299 HydrophobicContact CB-CD1 4.36Å |
| 295 | K | 86.2 | Confident | 86.9 | Confident | 128 Ų | 128 | 64.2 Ų | 64.2 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -60.8 | -5.1 | 175.6 | 70 | -176.5 | -168.2 | -84 | 0 | 116.1 | G292 F293 | G292-K295 PolarHBondContact O-NZ 3.25Å; F293-K295 PolarHBondContact O-N 3.35Å |
| 296 | Y | 86.2 | Confident | 86.8 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 18% | 0.18 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -110 | -9.8 | 174.1 | -56.3 | -69.3 | 0 | 0 | 0 | 113.7 | F293 D294 A329 A332 M333 | F293-Y296 PolarHBondContact O-N 3.26Å; D294-Y296 PolarHBondContact O-N 2.71Å; Y296-A329 HydrophobicContact CD2-CB 4.26Å; Y296-A329 HydrophobicContact CG-CB 4.26Å; Y296-A332 HydrophobicContact CD1-CB 4.07Å; Y296-A332 HydrophobicContact CE1-CB 3.28Å; Y296-A332 HydrophobicContact CE2-CB 4.38Å; Y296-A332 VanDerWaalsContact CZ-CB 3.45Å; Y296-A332 WeakPolarHBondContact OH-CB 3.44Å; Y296-M333 HydrophobicContact CD2-CG 4.1Å; Y296-M333 HydrophobicContact CE2-CG 3.33Å; Y296-M333 HydrophobicContact CE2-SD 3.73Å |
| 297 | G | 84.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 66 Ų | 66 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 151.3 | 170.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D294 I299 F320 | D294-G297 PolarHBondContact O-N 2.84Å; G297-I299 PolarHBondContact O-N 2.71Å; G297-F320 WeakPolarHBondContact O-CE1 3.37Å |
| 298 | I | 86.3 | Confident | 85.4 | Confident | 98 Ų | 98 | 66.9 Ų | 66.9 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | trans | -67.6 | 125.8 | -173.8 | -60.1 | 172.3 | 0 | 0 | 0 | 110.3 | F320 Q321 M325 | I298-F320 WeakPolarHBondContact O-CA 3.4Å; I298-Q321 HydrophobicContact CB-CB 4.32Å; I298-Q321 PolarHBondContact O-N 3.14Å; I298-M325 PolarHBondContact N-SD 2.94Å; I298-M325 VanDerWaalsContact N-SD 3.44Å | ||
| 299 | I | 88.8 | Confident | 83.8 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.2 | 177.8 | -58.9 | 170.3 | 0 | 0 | 0 | 109.2 | R290 F293 D294 G297 V302 V318 K319 F320 | R290-I299 HydrophobicContact CG-CD1 4.47Å; F293-I299 HydrophobicContact CB-CD1 3.76Å; D294-I299 HydrophobicContact CB-CD1 4.36Å; G297-I299 PolarHBondContact O-N 2.71Å; I299-V302 HydrophobicContact CG2-CG2 3.47Å; I299-V302 VanDerWaalsContact CG2-CG2 3.47Å; I299-V318 HydrophobicContact CD1-CG1 4.28Å; I299-V318 HydrophobicContact CG1-CG1 4.16Å; I299-V318 HydrophobicContact CG2-CG1 3.86Å; I299-K319 CarbonylContact C-O 3.59Å; I299-K319 WeakPolarHBondContact CA-O 3.4Å; I299-F320 HydrophobicContact CG1-CD1 4.24Å; I299-F320 HydrophobicContact CG1-CE1 3.85Å; I299-F320 HydrophobicContact CG1-CZ 4.26Å |
| 300 | E | 85.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 80 Ų | 80 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -43.5 | 174.1 | -73.6 | -176.9 | -151.9 | 0 | 0 | 112.5 | K319 Q321 | E300-K319 HydrophobicContact CB-CB 4.45Å; E300-K319 HydrophobicContact CB-CD 4.48Å; E300-K319 HydrophobicContact CB-CG 4.24Å; E300-K319 PolarHBondContact N-O 2.84Å; E300-K319 IonicContact OE1-NZ 3.82Å; E300-K319 PolarHBondContact OE1-NZ 2.65Å; E300-K319 WeakPolarHBondContact OE2-CD 3.42Å; E300-K319 WeakPolarHBondContact OE2-CE 3.27Å; E300-K319 IonicContact OE2-NZ 3.86Å; E300-K319 PolarHBondContact OE2-NZ 2.74Å; E300-Q321 WeakPolarHBondContact OE1-CA 3.25Å |
| 301 | D | 83.4 | Confident | 81.3 | Confident | 81 Ų | 81 | 83 Ų | 83 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 145.3 | -168.6 | -174.1 | 20.1 | 0 | 0 | 0 | 111.3 | V303 V318 K319 | D301-V303 WeakPolarHBondContact OD2-CG2 3.48Å; D301-V318 WeakPolarHBondContact O-CA 3.48Å; D301-K319 HydrophobicContact CB-CB 4.12Å; D301-K319 PolarHBondContact N-O 3.49Å; D301-K319 PolarHBondContact O-N 2.81Å |
| 302 | V | 88.2 | Confident | 80.3 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 6% | 0.055 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 108.7 | 176.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | E286 L289 R290 I299 I304 F317 V318 | E286-V302 HydrophobicContact CG-CB 3.69Å; E286-V302 HydrophobicContact CG-CG1 3.6Å; E286-V302 HydrophobicContact CG-CG2 4.43Å; L289-V302 HydrophobicContact CB-CG1 4.39Å; L289-V302 HydrophobicContact CD1-CG1 4.05Å; R290-V302 HydrophobicContact CG-CG2 4Å; I299-V302 HydrophobicContact CG2-CG2 3.47Å; I299-V302 VanDerWaalsContact CG2-CG2 3.47Å; V302-I304 HydrophobicContact CG1-CG1 4.39Å; V302-F317 CarbonylContact C-O 3.59Å; V302-F317 WeakPolarHBondContact CA-O 3.22Å; V302-V318 HydrophobicContact CG1-CG2 4.1Å; V302-V318 HydrophobicContact CG2-CG2 4.3Å |
| 303 | V | 87.8 | Confident | 79.8 | Confident | 55 Ų | 55 | 76.9 Ų | 76.9 | 33% | 0.333 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 97.7 | -178.4 | -176.1 | 0 | 0 | 0 | 0 | 110 | D301 K305 A316 F317 | D301-V303 WeakPolarHBondContact OD2-CG2 3.48Å; V303-K305 HydrophobicContact CG1-CG 4.35Å; V303-A316 CarbonylContact O-C 3.59Å; V303-A316 WeakPolarHBondContact O-CA 3.4Å; V303-F317 PolarHBondContact N-O 3.3Å; V303-F317 PolarHBondContact O-N 3.35Å |
| 304 | I | 88.8 | Confident | 79.6 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 131.9 | 172.2 | -54.8 | -175.9 | 0 | 0 | 0 | 109.8 | E286 L289 V302 R306 A316 | E286-I304 HydrophobicContact CB-CD1 4.2Å; L289-I304 HydrophobicContact CD1-CD1 3.77Å; L289-I304 HydrophobicContact CD1-CG1 3.82Å; V302-I304 HydrophobicContact CG1-CG1 4.39Å; I304-R306 HydrophobicContact CG2-CG 4.09Å; I304-A316 HydrophobicContact CG1-CB 4.07Å |
| 305 | K | 86.5 | Confident | 79.7 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 114.8 | 173.5 | -70 | 177.9 | -177.7 | 171.3 | 0 | 109.4 | V303 P307 Y315 F317 | V303-K305 HydrophobicContact CG1-CG 4.35Å; K305-P307 WeakPolarHBondContact O-CD 3.44Å; K305-Y315 CarbonylContact C-O 3.58Å; K305-Y315 HydrophobicContact CB-CD1 4.46Å; K305-Y315 HydrophobicContact CB-CD2 4.01Å; K305-Y315 HydrophobicContact CB-CE1 4.04Å; K305-Y315 HydrophobicContact CB-CE2 3.56Å; K305-Y315 HydrophobicContact CB-CG 4.44Å; K305-Y315 HydrophobicContact CD-CE2 3.74Å; K305-Y315 HydrophobicContact CG-CE2 4.23Å; K305-Y315 PolarHBondContact N-O 2.78Å; K305-Y315 WeakPolarHBondContact O-CD1 3.23Å; K305-Y315 PolarHBondContact O-N 2.85Å; K305-Y315 VanDerWaalsContact O-N 3.09Å; K305-F317 HydrophobicContact CD-CE2 4.21Å |
| 306 | R | 84.6 | Confident | 79.8 | Confident | 142 Ų | 142 | 70 Ų | 70 | 54% | 0.536 | 38% | 0.384 | S | S | . | . | trans | -102 | 102.4 | 176.8 | -63.2 | 178.2 | -179.4 | 167.3 | -6.3 | 107.9 | G282 N283 V284 I304 A314 | G282-R306 PolarHBondContact O-NE 3.35Å; G282-R306 VanDerWaalsContact O-NE 3.14Å; G282-R306 PolarHBondContact O-NH2 2.82Å; N283-R306 PolarHBondContact O-NH2 3.06Å; V284-R306 PolarHBondContact O-NH2 2.81Å; I304-R306 HydrophobicContact CG2-CG 4.09Å; R306-A314 HydrophobicContact CG-CB 4.16Å | ||
| 307 | P | 76.9 | Confident | 80 | Confident | 36 Ų | 36 | 71 Ų | 71 | 23% | 0.234 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 158.9 | 174.9 | 30.3 | -33.4 | 0 | 0 | 0 | 110.2 | K305 Q311 G313 Y315 | K305-P307 WeakPolarHBondContact O-CD 3.44Å; P307-Q311 HydrophobicContact CB-CB 4.44Å; P307-G313 WeakPolarHBondContact CD-O 3.1Å; P307-G313 WeakPolarHBondContact CG-O 3.34Å; P307-Y315 HydrophobicContact CB-CE1 4.5Å; P307-Y315 HydrophobicContact CG-CD1 4.41Å; P307-Y315 HydrophobicContact CG-CE1 4.11Å |
| 308 | A | 67.7 | Low | 80.3 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 60% | 0.595 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -61 | 148.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G310 Q311 | A308-G310 PolarHBondContact O-N 2.68Å; A308-G310 VanDerWaalsContact O-N 3.08Å; A308-Q311 PolarHBondContact O-N 3.48Å |
| 309 | R | 54.5 | Low | 80.4 | Confident | 262 Ų | 262 | 67 Ų | 67 | 99% | 0.989 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 117.3 | -178.4 | -78.9 | -177.1 | 172.5 | 168.4 | -1.9 | 110.7 | ||
| 310 | G | 60.5 | Low | 80.4 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 89% | 0.887 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.4 | -14.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A308 | A308-G310 PolarHBondContact O-N 2.68Å; A308-G310 VanDerWaalsContact O-N 3.08Å |
| 311 | Q | 63.1 | Low | 80.3 | Confident | 162 Ų | 162 | 66.3 Ų | 66.3 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -96.4 | -2.5 | -177.8 | -148.6 | -179.5 | 40.5 | 0 | 0 | 114.6 | P307 A308 | P307-Q311 HydrophobicContact CB-CB 4.44Å; A308-Q311 PolarHBondContact O-N 3.48Å |
| 312 | G | 65.9 | Low | 80.2 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 54% | 0.536 | 34% | 0.344 | S | S | . | . | trans | 155.8 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 313 | G | 75.1 | Confident | 80 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | trans | -75 | 169.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P307 | P307-G313 WeakPolarHBondContact CD-O 3.1Å; P307-G313 WeakPolarHBondContact CG-O 3.34Å | ||
| 314 | A | 83.7 | Confident | 79.8 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 152.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | N279 L280 R306 | N279-A314 PolarHBondContact N-O 3.37Å; L280-A314 HydrophobicContact CB-CB 3.99Å; L280-A314 PolarHBondContact N-O 2.85Å; L280-A314 PolarHBondContact O-N 2.79Å; R306-A314 HydrophobicContact CG-CB 4.16Å |
| 315 | Y | 88.5 | Confident | 79.8 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154.2 | 175.8 | 60.3 | -81.6 | 0 | 0 | 0 | 111 | F276 I277 K305 P307 F317 | F276-Y315 HydrophobicContact CD2-CD2 4.38Å; F276-Y315 AromaticContact CE2-CD2 3.7Å; F276-Y315 HydrophobicContact CE2-CD2 3.7Å; F276-Y315 AromaticContact CE2-CG 3.97Å; F276-Y315 HydrophobicContact CE2-CG 3.97Å; I277-Y315 CarbonylContact O-C 3.55Å; I277-Y315 WeakPolarHBondContact O-CA 3.42Å; I277-Y315 WeakPolarHBondContact O-CB 3.29Å; K305-Y315 CarbonylContact C-O 3.58Å; K305-Y315 HydrophobicContact CB-CD1 4.46Å; K305-Y315 HydrophobicContact CB-CD2 4.01Å; K305-Y315 HydrophobicContact CB-CE1 4.04Å; K305-Y315 HydrophobicContact CB-CE2 3.56Å; K305-Y315 HydrophobicContact CB-CG 4.44Å; K305-Y315 HydrophobicContact CD-CE2 3.74Å; K305-Y315 HydrophobicContact CG-CE2 4.23Å; K305-Y315 PolarHBondContact N-O 2.78Å; K305-Y315 WeakPolarHBondContact O-CD1 3.23Å; K305-Y315 PolarHBondContact O-N 2.85Å; K305-Y315 VanDerWaalsContact O-N 3.09Å; P307-Y315 HydrophobicContact CB-CE1 4.5Å; P307-Y315 HydrophobicContact CG-CD1 4.41Å; P307-Y315 HydrophobicContact CG-CE1 4.11Å; Y315-F317 AromaticContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CZ 4.39Å; Y315-F317 AromaticContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CZ 4.39Å |
| 316 | A | 89.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | I277 L280 L289 V303 I304 | I277-A316 PolarHBondContact N-O 3.44Å; I277-A316 PolarHBondContact O-N 2.85Å; L280-A316 HydrophobicContact CD1-CB 3.6Å; L289-A316 HydrophobicContact CD1-CB 3.52Å; V303-A316 CarbonylContact O-C 3.59Å; V303-A316 WeakPolarHBondContact O-CA 3.4Å; I304-A316 HydrophobicContact CG1-CB 4.07Å |
| 317 | F | 90.8 | Very high | 79.9 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.8 | 162.3 | -62.4 | -88.8 | 0 | 0 | 0 | 108.3 | L275 F276 V302 V303 K305 Y315 | L275-F317 CarbonylContact O-C 3.58Å; L275-F317 VanDerWaalsContact O-CA 3.27Å; L275-F317 WeakPolarHBondContact O-CA 3.46Å; F276-F317 HydrophobicContact CB-CD1 4.22Å; F276-F317 HydrophobicContact CB-CE1 4.03Å; F276-F317 HydrophobicContact CD2-CD1 4.31Å; F276-F317 AromaticContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE1 3.68Å; F276-F317 HydrophobicContact CD2-CE2 4.45Å; F276-F317 AromaticContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CD2-CZ 3.76Å; F276-F317 HydrophobicContact CE2-CZ 4.38Å; F276-F317 HydrophobicContact CG-CE1 4.32Å; V302-F317 CarbonylContact C-O 3.59Å; V302-F317 WeakPolarHBondContact CA-O 3.22Å; V303-F317 PolarHBondContact N-O 3.3Å; V303-F317 PolarHBondContact O-N 3.35Å; K305-F317 HydrophobicContact CD-CE2 4.21Å; Y315-F317 AromaticContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CE2 3.88Å; Y315-F317 HydrophobicContact CD2-CZ 4.39Å; Y315-F317 AromaticContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CE2 3.84Å; Y315-F317 HydrophobicContact CE2-CZ 4.39Å |
| 318 | V | 90.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 116 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | L275 I277 I299 D301 V302 F320 | L275-V318 PolarHBondContact N-O 3Å; L275-V318 PolarHBondContact O-N 2.79Å; I277-V318 HydrophobicContact CD1-CB 4.27Å; I277-V318 HydrophobicContact CD1-CG2 3.51Å; I299-V318 HydrophobicContact CD1-CG1 4.28Å; I299-V318 HydrophobicContact CG1-CG1 4.16Å; I299-V318 HydrophobicContact CG2-CG1 3.86Å; D301-V318 WeakPolarHBondContact O-CA 3.48Å; V302-V318 HydrophobicContact CG1-CG2 4.1Å; V302-V318 HydrophobicContact CG2-CG2 4.3Å; V318-F320 HydrophobicContact CB-CE2 4.49Å; V318-F320 HydrophobicContact CG1-CD2 4.16Å; V318-F320 HydrophobicContact CG1-CE2 3.64Å; V318-F320 HydrophobicContact CG1-CZ 4.06Å |
| 319 | K | 87.9 | Confident | 81.3 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123 | 173.9 | -177.9 | 169.6 | -167.6 | -59.1 | 0 | 109.6 | N274 I299 E300 D301 | N274-K319 WeakPolarHBondContact OD1-CB 3.44Å; N274-K319 WeakPolarHBondContact OD1-CD 3.11Å; N274-K319 WeakPolarHBondContact OD1-CG 3.37Å; I299-K319 CarbonylContact C-O 3.59Å; I299-K319 WeakPolarHBondContact CA-O 3.4Å; E300-K319 HydrophobicContact CB-CB 4.45Å; E300-K319 HydrophobicContact CB-CD 4.48Å; E300-K319 HydrophobicContact CB-CG 4.24Å; E300-K319 PolarHBondContact N-O 2.84Å; E300-K319 IonicContact OE1-NZ 3.82Å; E300-K319 PolarHBondContact OE1-NZ 2.65Å; E300-K319 WeakPolarHBondContact OE2-CD 3.42Å; E300-K319 WeakPolarHBondContact OE2-CE 3.27Å; E300-K319 IonicContact OE2-NZ 3.86Å; E300-K319 PolarHBondContact OE2-NZ 2.74Å; D301-K319 HydrophobicContact CB-CB 4.12Å; D301-K319 PolarHBondContact N-O 3.49Å; D301-K319 PolarHBondContact O-N 2.81Å |
| 320 | F | 88.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 161.4 | 166.7 | -71.1 | -90.8 | 0 | 0 | 0 | 111.1 | S273 L275 F293 G297 I298 I299 V318 M325 A326 A329 | S273-F320 PolarHBondContact O-N 3.29Å; L275-F320 HydrophobicContact CD1-CD2 4.29Å; L275-F320 HydrophobicContact CD1-CE2 3.68Å; L275-F320 HydrophobicContact CG-CD2 4.31Å; L275-F320 HydrophobicContact CG-CE2 4.13Å; F293-F320 HydrophobicContact CB-CZ 4.05Å; F293-F320 HydrophobicContact CD1-CZ 4.04Å; F293-F320 HydrophobicContact CG-CZ 4.48Å; G297-F320 WeakPolarHBondContact O-CE1 3.37Å; I298-F320 WeakPolarHBondContact O-CA 3.4Å; I299-F320 HydrophobicContact CG1-CD1 4.24Å; I299-F320 HydrophobicContact CG1-CE1 3.85Å; I299-F320 HydrophobicContact CG1-CZ 4.26Å; V318-F320 HydrophobicContact CB-CE2 4.49Å; V318-F320 HydrophobicContact CG1-CD2 4.16Å; V318-F320 HydrophobicContact CG1-CE2 3.64Å; V318-F320 HydrophobicContact CG1-CZ 4.06Å; F320-M325 HydrophobicContact CB-CB 4.03Å; F320-M325 HydrophobicContact CD1-CB 3.73Å; F320-M325 HydrophobicContact CG-CB 4.07Å; F320-A326 HydrophobicContact CB-CB 4.24Å; F320-A326 HydrophobicContact CD2-CB 3.82Å; F320-A326 HydrophobicContact CG-CB 4.26Å; F320-A329 HydrophobicContact CE1-CB 4.2Å; F320-A329 HydrophobicContact CE2-CB 3.72Å; F320-A329 HydrophobicContact CZ-CB 3.44Å; F320-A329 VanDerWaalsContact CZ-CB 3.44Å |
| 321 | Q | 84.1 | Confident | 84.1 | Confident | 66 Ų | 66 | 40.7 Ų | 40.7 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -62.4 | -43.8 | 171.2 | -170.6 | -177.1 | 39.1 | 0 | 0 | 112 | I298 E300 M325 | I298-Q321 HydrophobicContact CB-CB 4.32Å; I298-Q321 PolarHBondContact O-N 3.14Å; E300-Q321 WeakPolarHBondContact OE1-CA 3.25Å; Q321-M325 HydrophobicContact CB-SD 4.2Å |
| 322 | N | 81.9 | Confident | 85.3 | Confident | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -128.4 | 144.4 | -174.3 | -62.3 | -34.5 | 0 | 0 | 0 | 111.5 | D324 M325 A326 W357 Y393 | N322-D324 PolarHBondContact O-N 2.98Å; N322-M325 HydrophobicContact CB-CG 4.27Å; N322-M325 HydrophobicContact CB-SD 4.15Å; N322-M325 WeakPolarHBondContact O-CB 3.47Å; N322-M325 PolarHBondContact O-N 2.95Å; N322-A326 PolarHBondContact O-N 3.23Å; N322-W357 HydrophobicContact CB-CZ2 4.23Å; N322-W357 PolarHBondContact OD1-NE1 3.21Å; N322-Y393 PolarHBondContact OD1-OH 3.44Å |
| 323 | L | 84.5 | Confident | 86.2 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -31.3 | 177.9 | 167 | 162 | 0 | 0 | 0 | 112.6 | P265 A271 M325 A326 H327 W357 R422 D424 | P265-L323 HydrophobicContact CB-CD2 3.83Å; P265-L323 HydrophobicContact CG-CD2 4.36Å; A271-L323 VanDerWaalsContact O-CD1 3.31Å; A271-L323 WeakPolarHBondContact O-CD1 3.49Å; L323-M325 VanDerWaalsContact C-N 3.27Å; L323-M325 PolarHBondContact O-N 2.93Å; L323-A326 PolarHBondContact O-N 3Å; L323-H327 PolarHBondContact O-N 3.34Å; L323-W357 HydrophobicContact CB-CE3 4.14Å; L323-W357 HydrophobicContact CB-CZ3 3.76Å; L323-W357 HydrophobicContact CD2-CZ3 4.12Å; L323-W357 HydrophobicContact CG-CZ3 4.44Å; L323-R422 HydrophobicContact CD2-CB 4.25Å; L323-D424 HydrophobicContact CB-CB 4.14Å; L323-D424 HydrophobicContact CD1-CB 3.79Å |
| 324 | D | 83.7 | Confident | 86.8 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -23.5 | 174.2 | -76.2 | -0.2 | 0 | 0 | 0 | 114 | N322 R328 W357 R422 | N322-D324 PolarHBondContact O-N 2.98Å; D324-R328 WeakPolarHBondContact O-CG 3.36Å; D324-R328 PolarHBondContact O-NE 2.77Å; D324-W357 HydrophobicContact CB-CH2 4.16Å; D324-W357 HydrophobicContact CB-CZ2 4.46Å; D324-W357 VanDerWaalsContact CG-CH2 3.49Å; D324-W357 WeakPolarHBondContact OD1-CH2 3.49Å; D324-R422 IonicContact OD1-CZ 3.31Å; D324-R422 IonicContact OD1-NE 2.79Å; D324-R422 PolarHBondContact OD1-NE 3.42Å; D324-R422 IonicContact OD1-NH2 3.82Å; D324-R422 PolarHBondContact OD1-NH2 3.13Å; D324-R422 IonicContact OD2-CZ 2.77Å; D324-R422 IonicContact OD2-NE 3.79Å; D324-R422 IonicContact OD2-NH2 3.73Å; D324-R422 PolarHBondContact OD2-NH2 3.44Å |
| 325 | M | 88.1 | Confident | 86.7 | Confident | 27 Ų | 27 | 36 Ų | 36 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -77.7 | -45.8 | 171 | -63.7 | 169 | 174.8 | 0 | 0 | 109.8 | I298 F320 Q321 N322 L323 H327 R328 A329 | I298-M325 PolarHBondContact N-SD 2.94Å; I298-M325 VanDerWaalsContact N-SD 3.44Å; F320-M325 HydrophobicContact CB-CB 4.03Å; F320-M325 HydrophobicContact CD1-CB 3.73Å; F320-M325 HydrophobicContact CG-CB 4.07Å; Q321-M325 HydrophobicContact CB-SD 4.2Å; N322-M325 HydrophobicContact CB-CG 4.27Å; N322-M325 HydrophobicContact CB-SD 4.15Å; N322-M325 WeakPolarHBondContact O-CB 3.47Å; N322-M325 PolarHBondContact O-N 2.95Å; L323-M325 VanDerWaalsContact C-N 3.27Å; L323-M325 PolarHBondContact O-N 2.93Å; M325-H327 PolarHBondContact O-N 2.9Å; M325-R328 PolarHBondContact O-N 2.82Å; M325-A329 VanDerWaalsContact O-CB 3.31Å; M325-A329 WeakPolarHBondContact O-CB 3.31Å; M325-A329 PolarHBondContact O-N 3.07Å |
| 326 | A | 87.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T272 L275 F320 N322 L323 A329 K330 | T272-A326 WeakPolarHBondContact O-CB 3.43Å; L275-A326 HydrophobicContact CD1-CB 4.49Å; L275-A326 WeakPolarHBondContact CD1-O 3.48Å; L275-A326 HydrophobicContact CD2-CB 3.91Å; L275-A326 HydrophobicContact CG-CB 4.01Å; F320-A326 HydrophobicContact CB-CB 4.24Å; F320-A326 HydrophobicContact CD2-CB 3.82Å; F320-A326 HydrophobicContact CG-CB 4.26Å; N322-A326 PolarHBondContact O-N 3.23Å; L323-A326 PolarHBondContact O-N 3Å; A326-A329 PolarHBondContact O-N 2.94Å; A326-K330 WeakPolarHBondContact O-CB 3.48Å; A326-K330 PolarHBondContact O-N 3.38Å |
| 327 | H | 85.3 | Confident | 86.2 | Confident | 42 Ų | 42 | 45.4 Ų | 45.4 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 175 | 175.8 | -112.5 | 0 | 0 | 0 | 112.4 | P265 L323 M325 A329 K330 V331 Y347 | P265-H327 HydrophobicContact CB-CB 4.08Å; P265-H327 HydrophobicContact CG-CB 3.98Å; L323-H327 PolarHBondContact O-N 3.34Å; M325-H327 PolarHBondContact O-N 2.9Å; H327-A329 VanDerWaalsContact C-N 3.33Å; H327-A329 PolarHBondContact O-N 3.19Å; H327-K330 PolarHBondContact O-N 2.8Å; H327-V331 WeakPolarHBondContact NE2-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.47Å; H327-Y347 PolarHBondContact CD2-OH 3.43Å |
| 328 | R | 86.6 | Confident | 85.7 | Confident | 134 Ų | 134 | 43.2 Ų | 43.2 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -42.4 | 177.2 | -76 | 179.9 | -71.6 | 162.6 | -2.4 | 111.7 | D324 M325 A332 | D324-R328 WeakPolarHBondContact O-CG 3.36Å; D324-R328 PolarHBondContact O-NE 2.77Å; M325-R328 PolarHBondContact O-N 2.82Å; R328-A332 VanDerWaalsContact O-CB 3.3Å; R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 2.87Å |
| 329 | A | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L275 F293 Y296 F320 M325 A326 H327 M333 | L275-A329 HydrophobicContact CD1-CB 3.79Å; F293-A329 HydrophobicContact CD1-CB 3.95Å; F293-A329 HydrophobicContact CE1-CB 4.3Å; Y296-A329 HydrophobicContact CD2-CB 4.26Å; Y296-A329 HydrophobicContact CG-CB 4.26Å; F320-A329 HydrophobicContact CE1-CB 4.2Å; F320-A329 HydrophobicContact CE2-CB 3.72Å; F320-A329 HydrophobicContact CZ-CB 3.44Å; F320-A329 VanDerWaalsContact CZ-CB 3.44Å; M325-A329 VanDerWaalsContact O-CB 3.31Å; M325-A329 WeakPolarHBondContact O-CB 3.31Å; M325-A329 PolarHBondContact O-N 3.07Å; A326-A329 PolarHBondContact O-N 2.94Å; H327-A329 VanDerWaalsContact C-N 3.33Å; H327-A329 PolarHBondContact O-N 3.19Å; A329-M333 VanDerWaalsContact O-CB 3.31Å; A329-M333 WeakPolarHBondContact O-CB 3.36Å; A329-M333 PolarHBondContact O-N 2.99Å; A329-M333 VanDerWaalsContact O-N 3.13Å |
| 330 | K | 87.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.1 | -58.6 | 175.1 | 170.1 | -179.2 | 166.9 | -78.4 | 0 | 110.9 | D262 L275 A326 H327 A332 Q334 I345 Y347 | D262-K330 IonicContact OD1-NZ 3.75Å; D262-K330 PolarHBondContact OD1-NZ 2.91Å; L275-K330 HydrophobicContact CD1-CB 4.45Å; L275-K330 HydrophobicContact CD2-CB 4.29Å; A326-K330 WeakPolarHBondContact O-CB 3.48Å; A326-K330 PolarHBondContact O-N 3.38Å; H327-K330 PolarHBondContact O-N 2.8Å; K330-A332 PolarHBondContact O-N 3.17Å; K330-Q334 VanDerWaalsContact O-CB 3.31Å; K330-Q334 WeakPolarHBondContact O-CB 3.46Å; K330-Q334 PolarHBondContact O-N 2.85Å; K330-I345 HydrophobicContact CB-CG2 4.07Å; K330-I345 HydrophobicContact CG-CG2 4.15Å; K330-Y347 HydrophobicContact CD-CD2 4.35Å; K330-Y347 HydrophobicContact CD-CE1 3.9Å; K330-Y347 HydrophobicContact CD-CE2 3.68Å; K330-Y347 VanDerWaalsContact CD-CZ 3.44Å |
| 331 | V | 86.7 | Confident | 83.9 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | -173.6 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | H327 | H327-V331 WeakPolarHBondContact NE2-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.47Å |
| 332 | A | 86.4 | Confident | 84 | Confident | 37 Ų | 37 | 49 Ų | 49 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -82.6 | -16.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y296 R328 K330 R336 | Y296-A332 HydrophobicContact CD1-CB 4.07Å; Y296-A332 HydrophobicContact CE1-CB 3.28Å; Y296-A332 HydrophobicContact CE2-CB 4.38Å; Y296-A332 VanDerWaalsContact CZ-CB 3.45Å; Y296-A332 WeakPolarHBondContact OH-CB 3.44Å; R328-A332 VanDerWaalsContact O-CB 3.3Å; R328-A332 WeakPolarHBondContact O-CB 3.47Å; R328-A332 PolarHBondContact O-N 2.87Å; K330-A332 PolarHBondContact O-N 3.17Å; A332-R336 PolarHBondContact O-NE 2.95Å |
| 333 | M | 86.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -113.6 | -6.2 | 179.4 | -65.6 | -72.6 | -67.7 | 0 | 0 | 114 | F293 Y296 A329 G335 R336 I338 I343 I345 | F293-M333 HydrophobicContact CD1-CG 4.22Å; F293-M333 HydrophobicContact CD2-CE 4.43Å; F293-M333 HydrophobicContact CE1-CB 3.75Å; F293-M333 HydrophobicContact CE1-CG 3.82Å; F293-M333 HydrophobicContact CE2-CE 4.03Å; F293-M333 HydrophobicContact CZ-CB 3.85Å; F293-M333 HydrophobicContact CZ-CE 4.16Å; F293-M333 HydrophobicContact CZ-CG 4.13Å; Y296-M333 HydrophobicContact CD2-CG 4.1Å; Y296-M333 HydrophobicContact CE2-CG 3.33Å; Y296-M333 HydrophobicContact CE2-SD 3.73Å; A329-M333 VanDerWaalsContact O-CB 3.31Å; A329-M333 WeakPolarHBondContact O-CB 3.36Å; A329-M333 PolarHBondContact O-N 2.99Å; A329-M333 VanDerWaalsContact O-N 3.13Å; M333-G335 PolarHBondContact O-N 2.86Å; M333-R336 WeakPolarHBondContact O-CB 3.36Å; M333-R336 PolarHBondContact O-N 3.49Å; M333-R336 VanDerWaalsContact O-N 3.08Å; M333-I338 HydrophobicContact CE-CD1 3.83Å; M333-I338 HydrophobicContact CE-CG1 4.47Å; M333-I343 HydrophobicContact CB-CD1 4.31Å; M333-I343 HydrophobicContact CE-CD1 4.33Å; M333-I343 WeakPolarHBondContact O-CG1 3.44Å; M333-I345 HydrophobicContact CB-CD1 3.53Å |
| 334 | Q | 86.7 | Confident | 84.5 | Confident | 79 Ų | 79 | 54.9 Ų | 54.9 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.8 | 176.8 | -176 | 69.4 | -56.7 | 0 | 0 | 110.9 | K330 R336 I345 | K330-Q334 VanDerWaalsContact O-CB 3.31Å; K330-Q334 WeakPolarHBondContact O-CB 3.46Å; K330-Q334 PolarHBondContact O-N 2.85Å; Q334-R336 PolarHBondContact O-N 2.97Å; Q334-R336 VanDerWaalsContact O-N 3.17Å; Q334-I345 PolarHBondContact NE2-O 2.89Å; Q334-I345 PolarHBondContact OE1-O 3.37Å |
| 335 | G | 81.6 | Confident | 84.8 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 44% | 0.443 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | -1.8 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | M333 I343 | M333-G335 PolarHBondContact O-N 2.86Å; G335-I343 VanDerWaalsContact CA-O 3.27Å; G335-I343 WeakPolarHBondContact CA-O 3.4Å; G335-I343 PolarHBondContact N-O 2.84Å |
| 336 | R | 84.9 | Confident | 84.7 | Confident | 151 Ų | 151 | 53.3 Ų | 53.3 | 57% | 0.57 | 30% | 0.303 | S | S | * | . | trans | -67.7 | 149.2 | 177 | -77.6 | -164 | 177.4 | -98.4 | -0.7 | 111.9 | A332 M333 Q334 P342 I343 | A332-R336 PolarHBondContact O-NE 2.95Å; M333-R336 WeakPolarHBondContact O-CB 3.36Å; M333-R336 PolarHBondContact O-N 3.49Å; M333-R336 VanDerWaalsContact O-N 3.08Å; Q334-R336 PolarHBondContact O-N 2.97Å; Q334-R336 VanDerWaalsContact O-N 3.17Å; R336-P342 WeakPolarHBondContact O-CA 3.48Å; R336-I343 WeakPolarHBondContact O-CG1 3.36Å; R336-I343 PolarHBondContact O-N 3.29Å | ||
| 337 | L | 83.1 | Confident | 84.6 | Confident | 126 Ų | 126 | 55 Ų | 55 | 66% | 0.66 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.1 | 177.6 | -59.2 | 170.2 | 0 | 0 | 0 | 110.5 | N341 P342 | L337-N341 WeakPolarHBondContact CA-O 3.43Å; L337-P342 HydrophobicContact CD2-CB 3.99Å; L337-P342 HydrophobicContact CD2-CG 4.45Å |
| 338 | I | 80.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.1 | 165.5 | -56.4 | -175.2 | 0 | 0 | 0 | 107.5 | V284 L289 F293 M333 G340 N341 I343 | V284-I338 HydrophobicContact CG1-CG2 3.81Å; V284-I338 HydrophobicContact CG2-CG2 3.96Å; L289-I338 HydrophobicContact CD2-CD1 4.11Å; F293-I338 HydrophobicContact CE2-CD1 4.07Å; M333-I338 HydrophobicContact CE-CD1 3.83Å; M333-I338 HydrophobicContact CE-CG1 4.47Å; I338-G340 PolarHBondContact O-N 2.99Å; I338-N341 PolarHBondContact N-O 3.08Å; I338-N341 PolarHBondContact O-N 2.9Å; I338-N341 VanDerWaalsContact O-N 3.16Å; I338-I343 HydrophobicContact CB-CG2 3.79Å; I338-I343 HydrophobicContact CD1-CD1 3.69Å; I338-I343 HydrophobicContact CD1-CG2 4.1Å; I338-I343 HydrophobicContact CG1-CD1 4.18Å; I338-I343 HydrophobicContact CG1-CG2 3.85Å |
| 339 | G | 69.9 | Low | 84 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 26.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D281 N341 | D281-G339 WeakPolarHBondContact CB-O 3.24Å; G339-N341 VanDerWaalsContact C-N 3.27Å; G339-N341 PolarHBondContact O-N 3.03Å |
| 340 | G | 76.9 | Confident | 83.2 | Confident | 63 Ų | 63 | 56.4 Ų | 56.4 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -11.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | I338 | I338-G340 PolarHBondContact O-N 2.99Š|
| 341 | N | 82.9 | Confident | 82.9 | Confident | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.6 | 177.8 | -78.7 | -46.5 | 0 | 0 | 0 | 112 | N279 D281 L337 I338 G339 I343 | N279-N341 WeakPolarHBondContact O-CB 3.24Å; D281-N341 WeakPolarHBondContact CA-ND2 3.12Å; D281-N341 WeakPolarHBondContact CB-ND2 3.11Å; L337-N341 WeakPolarHBondContact CA-O 3.43Å; I338-N341 PolarHBondContact N-O 3.08Å; I338-N341 PolarHBondContact O-N 2.9Å; I338-N341 VanDerWaalsContact O-N 3.16Å; G339-N341 VanDerWaalsContact C-N 3.27Å; G339-N341 PolarHBondContact O-N 3.03Å; N341-I343 PolarHBondContact O-N 2.75Å |
| 342 | P | 85.3 | Confident | 82.7 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.8 | 175.5 | 28.7 | -32.5 | 0 | 0 | 0 | 110.1 | N279 R336 L337 | N279-P342 PolarHBondContact ND2-O 2.9Å; R336-P342 WeakPolarHBondContact O-CA 3.48Å; L337-P342 HydrophobicContact CD2-CB 3.99Å; L337-P342 HydrophobicContact CD2-CG 4.45Å |
| 343 | I | 89.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 147.1 | -173.8 | 76 | -175.2 | 0 | 0 | 0 | 111.5 | I277 L280 F293 M333 G335 R336 I338 N341 I345 | I277-I343 HydrophobicContact CG2-CB 3.89Å; I277-I343 HydrophobicContact CG2-CD1 4.1Å; I277-I343 HydrophobicContact CG2-CG1 4.32Å; I277-I343 HydrophobicContact CG2-CG2 4.41Å; L280-I343 HydrophobicContact CD2-CB 4.46Å; L280-I343 HydrophobicContact CD2-CG2 3.64Å; F293-I343 HydrophobicContact CE2-CD1 4.14Å; F293-I343 HydrophobicContact CZ-CD1 3.81Å; M333-I343 HydrophobicContact CB-CD1 4.31Å; M333-I343 HydrophobicContact CE-CD1 4.33Å; M333-I343 WeakPolarHBondContact O-CG1 3.44Å; G335-I343 VanDerWaalsContact CA-O 3.27Å; G335-I343 WeakPolarHBondContact CA-O 3.4Å; G335-I343 PolarHBondContact N-O 2.84Å; R336-I343 WeakPolarHBondContact O-CG1 3.36Å; R336-I343 PolarHBondContact O-N 3.29Å; I338-I343 HydrophobicContact CB-CG2 3.79Å; I338-I343 HydrophobicContact CD1-CD1 3.69Å; I338-I343 HydrophobicContact CD1-CG2 4.1Å; I338-I343 HydrophobicContact CG1-CD1 4.18Å; I338-I343 HydrophobicContact CG1-CG2 3.85Å; N341-I343 PolarHBondContact O-N 2.75Å; I343-I345 HydrophobicContact CD1-CD1 4.11Å; I343-I345 HydrophobicContact CD1-CG1 4.19Å; I343-I345 HydrophobicContact CG1-CD1 4.46Å; I343-I345 HydrophobicContact CG1-CG1 4.15Å |
| 344 | K | 87.5 | Confident | 82.9 | Confident | 141 Ų | 141 | 61.5 Ų | 61.5 | 61% | 0.613 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 106.1 | 176.8 | -67.6 | -174.7 | 178.8 | -178.8 | 0 | 109.7 | G278 N279 | G278-K344 PolarHBondContact N-O 2.86Å; G278-K344 PolarHBondContact O-N 3.39Å; N279-K344 HydrophobicContact CB-CG 4.39Å |
| 345 | I | 89 | Confident | 83 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.9 | 178.9 | -48.6 | 178.8 | 0 | 0 | 0 | 109.3 | L275 F276 F293 K330 M333 Q334 I343 | L275-I345 HydrophobicContact CB-CG2 4.2Å; L275-I345 HydrophobicContact CD1-CG2 3.96Å; L275-I345 HydrophobicContact CD2-CG2 4.24Å; L275-I345 HydrophobicContact CG-CG2 4.37Å; F276-I345 WeakPolarHBondContact O-CA 3.43Å; F293-I345 HydrophobicContact CE1-CD1 3.78Å; F293-I345 HydrophobicContact CZ-CD1 3.73Å; K330-I345 HydrophobicContact CB-CG2 4.07Å; K330-I345 HydrophobicContact CG-CG2 4.15Å; M333-I345 HydrophobicContact CB-CD1 3.53Å; Q334-I345 PolarHBondContact NE2-O 2.89Å; Q334-I345 PolarHBondContact OE1-O 3.37Å; I343-I345 HydrophobicContact CD1-CD1 4.11Å; I343-I345 HydrophobicContact CD1-CG1 4.19Å; I343-I345 HydrophobicContact CG1-CD1 4.46Å; I343-I345 HydrophobicContact CG1-CG1 4.15Å |
| 346 | G | 86.7 | Confident | 83.4 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 172.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F276 | F276-G346 PolarHBondContact N-O 3.36Å; F276-G346 PolarHBondContact O-N 3.28Å; F276-G346 VanDerWaalsContact O-O 3.11Å |
| 347 | Y | 85.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.9 | 172.7 | -60.3 | -71.1 | 0 | 0 | 0 | 110.9 | D268 R270 A271 L275 H327 K330 | D268-Y347 VanDerWaalsContact OD2-CD2 3.28Å; D268-Y347 WeakPolarHBondContact OD2-CD2 3.23Å; D268-Y347 WeakPolarHBondContact OD2-CE2 3.23Å; R270-Y347 WeakPolarHBondContact O-CB 3.36Å; A271-Y347 HydrophobicContact CB-CD1 4.18Å; A271-Y347 HydrophobicContact CB-CD2 3.95Å; A271-Y347 HydrophobicContact CB-CE1 3.73Å; A271-Y347 HydrophobicContact CB-CE2 3.46Å; A271-Y347 VanDerWaalsContact CB-CE2 3.46Å; A271-Y347 HydrophobicContact CB-CG 4.26Å; L275-Y347 HydrophobicContact CD2-CD1 3.72Å; L275-Y347 HydrophobicContact CD2-CE1 3.97Å; H327-Y347 PolarHBondContact CD2-OH 3.43Å; K330-Y347 HydrophobicContact CD-CD2 4.35Å; K330-Y347 HydrophobicContact CD-CE1 3.9Å; K330-Y347 HydrophobicContact CD-CE2 3.68Å; K330-Y347 VanDerWaalsContact CD-CZ 3.44Å |
| 348 | G | 80.6 | Confident | 83.9 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 166.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | T272 N274 A350 | T272-G348 PolarHBondContact OG1-O 2.85Å; N274-G348 WeakPolarHBondContact O-CA 3.38Å; N274-G348 PolarHBondContact O-N 2.87Å; G348-A350 PolarHBondContact O-N 2.91Å |
| 349 | K | 78.6 | Confident | 84 | Confident | 179 Ų | 179 | 43.3 Ų | 43.3 | 78% | 0.778 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 122.7 | 171.2 | -176.6 | 169.1 | -178.6 | 175.1 | 0 | 109.1 | N274 | N274-K349 PolarHBondContact ND2-O 3.32Š|
| 350 | A | 72.5 | Confident | 84.5 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 144.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | T272 G348 F425 | T272-A350 HydrophobicContact CG2-CB 3.67Å; G348-A350 PolarHBondContact O-N 2.91Å; A350-F425 HydrophobicContact CB-CD2 3.92Å |
| 351 | N | 80.4 | Confident | 84.6 | Confident | 114 Ų | 114 | 39 Ų | 39 | 61% | 0.61 | 21% | 0.209 | S | C | * | . | P | Polyproline II helix | trans | -90.1 | 119.2 | 168.9 | -65.4 | -43.3 | 0 | 0 | 0 | 107 | F425 | N351-F425 WeakPolarHBondContact O-CB 3.5Š|
| 352 | P | 82.2 | Confident | 83.9 | Confident | 59 Ų | 59 | 36.4 Ų | 36.4 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 138.6 | -179.5 | 27.7 | -34.2 | 0 | 0 | 0 | 110.8 | L399 Q403 F425 | P352-L399 HydrophobicContact CB-CD1 4.25Å; P352-Q403 HydrophobicContact CB-CG 3.91Å; P352-F425 HydrophobicContact CB-CD1 4.33Å; P352-F425 HydrophobicContact CB-CE1 3.96Å; P352-F425 HydrophobicContact CB-CE2 4.24Å; P352-F425 HydrophobicContact CB-CZ 3.91Å |
| 353 | T | 87.5 | Confident | 83.1 | Confident | 31 Ų | 31 | 39 Ų | 39 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | trans | -137.9 | 164.7 | -179.7 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | R355 A402 F425 A426 | T353-R355 VanDerWaalsContact C-N 3.31Å; T353-R355 PolarHBondContact OG1-O 3.36Å; T353-A402 VanDerWaalsContact O-CB 3.3Å; T353-A402 WeakPolarHBondContact O-CB 3.4Å; T353-F425 WeakPolarHBondContact O-CD1 3.12Å; T353-F425 WeakPolarHBondContact OG1-CB 3.38Å; T353-A426 WeakPolarHBondContact CB-O 3.3Å; T353-A426 WeakPolarHBondContact CG2-O 3.33Å; T353-A426 PolarHBondContact OG1-O 3.05Å | ||
| 354 | T | 88.3 | Confident | 81.8 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 22% | 0.221 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -78.7 | -11.5 | 175.9 | 45.4 | 0 | 0 | 0 | 0 | 113.8 | Q395 Y396 L399 | T354-Q395 WeakPolarHBondContact O-CA 3.35Å; T354-Y396 PolarHBondContact O-N 3.14Å; T354-L399 HydrophobicContact CG2-CB 4.19Å; T354-L399 HydrophobicContact CG2-CD1 4.32Å |
| 355 | R | 89.3 | Confident | 81.1 | Confident | 30 Ų | 30 | 36.6 Ų | 36.6 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 121.5 | 177.3 | -171.3 | 179.1 | 177.1 | 146.6 | 5.3 | 110 | T353 D384 I394 Q395 A426 V428 | T353-R355 VanDerWaalsContact C-N 3.31Å; T353-R355 PolarHBondContact OG1-O 3.36Å; R355-D384 IonicContact CZ-OD2 2.71Å; R355-D384 IonicContact NH1-OD2 3.16Å; R355-D384 IonicContact NH2-OD2 3.54Å; R355-D384 PolarHBondContact NH2-OD2 3.41Å; R355-I394 CarbonylContact C-O 3.58Å; R355-I394 WeakPolarHBondContact CA-O 3.43Å; R355-Q395 HydrophobicContact CB-CB 4.44Å; R355-Q395 HydrophobicContact CB-CG 4.39Å; R355-Q395 HydrophobicContact CG-CB 4.35Å; R355-A426 HydrophobicContact CB-CB 4.47Å; R355-A426 HydrophobicContact CG-CB 4.13Å; R355-A426 WeakPolarHBondContact O-CA 3.27Å; R355-A426 WeakPolarHBondContact O-CB 3.35Å; R355-A426 PolarHBondContact O-N 2.61Å; R355-V428 HydrophobicContact CB-CG2 3.89Å |
| 356 | L | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 149.7 | 173.8 | -55 | -174 | 0 | 0 | 0 | 110.5 | Y393 I394 Y396 A402 A405 C406 V423 D424 F425 | L356-Y393 CarbonylContact O-C 3.56Å; L356-Y393 VanDerWaalsContact O-CA 3.26Å; L356-Y393 WeakPolarHBondContact O-CA 3.44Å; L356-I394 PolarHBondContact N-O 3.23Å; L356-I394 PolarHBondContact O-N 2.9Å; L356-Y396 HydrophobicContact CD1-CD2 4.42Å; L356-Y396 HydrophobicContact CD1-CE2 3.91Å; L356-Y396 HydrophobicContact CG-CE2 4.45Å; L356-A402 HydrophobicContact CD2-CB 4.14Å; L356-A402 HydrophobicContact CG-CB 4.35Å; L356-A405 HydrophobicContact CD1-CB 3.79Å; L356-C406 HydrophobicContact CD1-CB 4.03Å; L356-C406 HydrophobicContact CD2-CB 3.83Å; L356-V423 HydrophobicContact CB-CG1 4.21Å; L356-V423 HydrophobicContact CD1-CG1 3.87Å; L356-D424 WeakPolarHBondContact CA-O 3.48Å; L356-F425 HydrophobicContact CD2-CD1 3.46Å; L356-F425 VanDerWaalsContact CD2-CD1 3.46Å; L356-F425 HydrophobicContact CD2-CE1 3.62Å; L356-F425 HydrophobicContact CD2-CG 4.29Å |
| 357 | W | 89.5 | Confident | 80.2 | Confident | 6 Ų | 6 | 41 Ų | 41 | 2% | 0.023 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.5 | 159.4 | 173.5 | 82.5 | 0 | 0 | 0 | 108.2 | N322 L323 D324 F391 Y393 R422 V423 D424 A426 | N322-W357 HydrophobicContact CB-CZ2 4.23Å; N322-W357 PolarHBondContact OD1-NE1 3.21Å; L323-W357 HydrophobicContact CB-CE3 4.14Å; L323-W357 HydrophobicContact CB-CZ3 3.76Å; L323-W357 HydrophobicContact CD2-CZ3 4.12Å; L323-W357 HydrophobicContact CG-CZ3 4.44Å; D324-W357 HydrophobicContact CB-CH2 4.16Å; D324-W357 HydrophobicContact CB-CZ2 4.46Å; D324-W357 VanDerWaalsContact CG-CH2 3.49Å; D324-W357 WeakPolarHBondContact OD1-CH2 3.49Å; W357-F391 HydrophobicContact CZ2-CB 4.06Å; W357-F391 AromaticContact NE1-CD2 3.62Å; W357-F391 AromaticContact NE1-CG 3.62Å; W357-Y393 HydrophobicContact CB-CD1 3.95Å; W357-Y393 HydrophobicContact CB-CE1 3.83Å; W357-Y393 AromaticContact CD1-CE1 3.43Å; W357-Y393 VanDerWaalsContact CD1-CE1 3.43Å; W357-Y393 AromaticContact CD1-CZ 3.61Å; W357-Y393 HydrophobicContact CG-CD1 4.41Å; W357-Y393 AromaticContact CG-CE1 4Å; W357-Y393 HydrophobicContact CG-CE1 4Å; W357-R422 HydrophobicContact CH2-CB 4.4Å; W357-R422 HydrophobicContact CZ3-CB 4.01Å; W357-R422 VanDerWaalsContact CZ3-O 3.25Å; W357-R422 WeakPolarHBondContact CZ3-O 3.48Å; W357-V423 WeakPolarHBondContact O-CA 3.44Å; W357-D424 PolarHBondContact N-O 2.88Å; W357-D424 PolarHBondContact O-N 3.15Å; W357-A426 HydrophobicContact CB-CB 4.15Å |
| 358 | V | 88.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 91.4 | -176.9 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | L361 L370 F374 F391 A392 I394 L421 V423 | V358-L361 HydrophobicContact CG1-CD2 4.3Å; V358-L370 HydrophobicContact CG1-CD2 4.18Å; V358-F374 HydrophobicContact CB-CZ 4.34Å; V358-F374 HydrophobicContact CG1-CE2 4.18Å; V358-F374 HydrophobicContact CG1-CZ 3.76Å; V358-F374 HydrophobicContact CG2-CE1 3.71Å; V358-F374 HydrophobicContact CG2-CE2 4.44Å; V358-F374 HydrophobicContact CG2-CZ 3.56Å; V358-F391 CarbonylContact O-C 3.46Å; V358-F391 WeakPolarHBondContact O-CA 3.4Å; V358-A392 PolarHBondContact N-O 3.24Å; V358-A392 PolarHBondContact O-N 3.3Å; V358-I394 HydrophobicContact CG2-CD1 4.02Å; V358-I394 HydrophobicContact CG2-CG1 4.37Å; V358-L421 HydrophobicContact CG1-CD1 4.34Å; V358-L421 HydrophobicContact CG1-CD2 3.94Å; V358-V423 HydrophobicContact CG1-CG2 4.27Å; V358-V423 HydrophobicContact CG2-CG1 4.15Å; V358-V423 HydrophobicContact CG2-CG2 4.23Å |
| 359 | G | 83.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -179.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L361 N390 L421 R422 | G359-L361 VanDerWaalsContact C-N 3.33Å; G359-N390 CarbonylContact C-O 3.48Å; G359-L421 WeakPolarHBondContact O-CA 3.35Å; G359-R422 PolarHBondContact N-O 3.28Å; G359-R422 PolarHBondContact O-N 3.03Å |
| 360 | G | 79.5 | Confident | 80.5 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | trans | 78.7 | 15.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | G362 N390 | G360-G362 PolarHBondContact O-N 3.31Å; G360-N390 PolarHBondContact N-O 2.92Å; G360-N390 VanDerWaalsContact N-O 3.13Å | ||
| 361 | L | 80.9 | Confident | 81.1 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -70.7 | 126.3 | 174.8 | -58 | 173.9 | 0 | 0 | 0 | 109.8 | V358 G359 N365 L370 Y385 N390 A392 L414 L421 | V358-L361 HydrophobicContact CG1-CD2 4.3Å; G359-L361 VanDerWaalsContact C-N 3.33Å; L361-N365 HydrophobicContact CB-CB 4.38Å; L361-N365 HydrophobicContact CD2-CB 4.28Å; L361-L370 HydrophobicContact CD1-CD1 3.88Å; L361-L370 HydrophobicContact CD2-CD1 4.19Å; L361-L370 HydrophobicContact CD2-CD2 3.95Å; L361-L370 HydrophobicContact CD2-CG 4.29Å; L361-Y385 HydrophobicContact CD1-CD2 3.8Å; L361-Y385 HydrophobicContact CD1-CE2 3.49Å; L361-Y385 VanDerWaalsContact CD1-CE2 3.49Å; L361-N390 PolarHBondContact N-O 3.09Å; L361-N390 PolarHBondContact O-OD1 3.41Å; L361-A392 HydrophobicContact CD1-CB 3.93Å; L361-L414 HydrophobicContact CD2-CD2 4.19Å; L361-L421 HydrophobicContact CD2-CD2 3.44Å; L361-L421 VanDerWaalsContact CD2-CD2 3.44Å; L361-L421 HydrophobicContact CG-CD2 4.44Å | ||
| 362 | G | 67.9 | Low | 81.4 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | trans | -74.5 | 156.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G360 G364 N365 | G360-G362 PolarHBondContact O-N 3.31Å; G362-G364 PolarHBondContact O-N 3.07Å; G362-N365 PolarHBondContact N-ND2 2.69Å; G362-N365 WeakPolarHBondContact O-CB 3.28Å; G362-N365 PolarHBondContact O-N 2.84Å | ||
| 363 | P | 66.8 | Low | 81.5 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 73% | 0.734 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 4.5 | -175.7 | 28.6 | -36.8 | 0 | 0 | 0 | 115.3 | ||
| 364 | G | 62.6 | Low | 81.5 | Confident | 74 Ų | 74 | 39.1 Ų | 39.1 | 76% | 0.763 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -2.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G362 S366 | G362-G364 PolarHBondContact O-N 3.07Å; G364-S366 PolarHBondContact O-N 3.41Å |
| 365 | N | 72.4 | Confident | 81.5 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.08 | 25% | 0.25 | C | S | . | . | trans | -75.7 | 123.9 | -179.2 | -73.6 | -12.8 | 0 | 0 | 0 | 110.6 | L361 G362 L414 G415 | L361-N365 HydrophobicContact CB-CB 4.38Å; L361-N365 HydrophobicContact CD2-CB 4.28Å; G362-N365 PolarHBondContact N-ND2 2.69Å; G362-N365 WeakPolarHBondContact O-CB 3.28Å; G362-N365 PolarHBondContact O-N 2.84Å; N365-L414 PolarHBondContact ND2-O 3.11Å; N365-L414 PolarHBondContact OD1-O 2.93Å; N365-G415 WeakPolarHBondContact OD1-CA 3.19Å | ||
| 366 | S | 75.4 | Confident | 81.2 | Confident | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | trans | -94.5 | 154.1 | 180 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | G364 T368 A369 L370 | G364-S366 PolarHBondContact O-N 3.41Å; S366-T368 PolarHBondContact O-N 3.23Å; S366-A369 PolarHBondContact O-N 2.85Å; S366-A369 PolarHBondContact OG-N 3.45Å; S366-A369 VanDerWaalsContact OG-N 3.11Å; S366-L370 PolarHBondContact O-N 3.44Å | ||
| 367 | L | 82.4 | Confident | 81 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -50.7 | -37.9 | 168.1 | 175.4 | 60.9 | 0 | 0 | 0 | 111.5 | L370 A371 I383 Y385 | L367-L370 PolarHBondContact O-N 2.89Å; L367-A371 WeakPolarHBondContact O-CB 3.38Å; L367-A371 PolarHBondContact O-N 3.27Å; L367-I383 HydrophobicContact CD1-CB 3.82Å; L367-I383 HydrophobicContact CD1-CD1 4.18Å; L367-I383 HydrophobicContact CD1-CG2 3.47Å; L367-I383 VanDerWaalsContact CD1-CG2 3.47Å; L367-Y385 HydrophobicContact CB-CD1 4.22Å |
| 368 | T | 83.8 | Confident | 80.8 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67 | -36.8 | 178.4 | -42.8 | 0 | 0 | 0 | 0 | 112.8 | S366 R372 | S366-T368 PolarHBondContact O-N 3.23Å; T368-R372 WeakPolarHBondContact O-CB 3.37Å; T368-R372 VanDerWaalsContact O-CG 3.25Å; T368-R372 WeakPolarHBondContact O-CG 3.44Å; T368-R372 PolarHBondContact O-N 3.49Å; T368-R372 VanDerWaalsContact O-N 3.08Å |
| 369 | A | 83.4 | Confident | 80.8 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S366 R372 E373 | S366-A369 PolarHBondContact O-N 2.85Å; S366-A369 PolarHBondContact OG-N 3.45Å; S366-A369 VanDerWaalsContact OG-N 3.11Å; A369-R372 PolarHBondContact O-N 3.31Å; A369-E373 PolarHBondContact O-N 3.04Å |
| 370 | L | 84.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -54.2 | 172.5 | -86.1 | 158.1 | 0 | 0 | 0 | 111.6 | V358 L361 S366 L367 R372 E373 F374 Y385 A392 I394 L414 | V358-L370 HydrophobicContact CG1-CD2 4.18Å; L361-L370 HydrophobicContact CD1-CD1 3.88Å; L361-L370 HydrophobicContact CD2-CD1 4.19Å; L361-L370 HydrophobicContact CD2-CD2 3.95Å; L361-L370 HydrophobicContact CD2-CG 4.29Å; S366-L370 PolarHBondContact O-N 3.44Å; L367-L370 PolarHBondContact O-N 2.89Å; L370-R372 PolarHBondContact O-N 3.39Å; L370-E373 PolarHBondContact O-N 3.41Å; L370-F374 HydrophobicContact CD2-CD2 4.07Å; L370-F374 HydrophobicContact CD2-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CB 3.4Å; L370-F374 WeakPolarHBondContact O-CD2 3.43Å; L370-F374 PolarHBondContact O-N 2.86Å; L370-Y385 HydrophobicContact CD1-CD1 4.11Å; L370-Y385 HydrophobicContact CD1-CD2 4.17Å; L370-Y385 HydrophobicContact CD1-CG 3.92Å; L370-A392 HydrophobicContact CD1-CB 4.19Å; L370-I394 HydrophobicContact CD2-CD1 4.22Å; L370-L414 HydrophobicContact CD2-CD2 4.31Å; L370-L414 HydrophobicContact CG-CD2 4.3Å |
| 371 | A | 85.1 | Confident | 81.6 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.3 | -50.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L367 E373 F374 D375 I383 | L367-A371 WeakPolarHBondContact O-CB 3.38Å; L367-A371 PolarHBondContact O-N 3.27Å; A371-E373 VanDerWaalsContact C-N 3.34Å; A371-E373 PolarHBondContact O-N 2.85Å; A371-F374 PolarHBondContact O-N 3.27Å; A371-D375 WeakPolarHBondContact O-CB 3.43Å; A371-D375 PolarHBondContact O-N 3.32Å; A371-I383 HydrophobicContact CB-CD1 3.89Å |
| 372 | R | 85.3 | Confident | 81.8 | Confident | 191 Ų | 191 | 67.3 Ų | 67.3 | 72% | 0.721 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63 | -31.6 | -176.3 | -76.8 | -177.7 | 67.8 | -178.5 | 1.5 | 115.1 | T368 A369 L370 R376 | T368-R372 WeakPolarHBondContact O-CB 3.37Å; T368-R372 VanDerWaalsContact O-CG 3.25Å; T368-R372 WeakPolarHBondContact O-CG 3.44Å; T368-R372 PolarHBondContact O-N 3.49Å; T368-R372 VanDerWaalsContact O-N 3.08Å; A369-R372 PolarHBondContact O-N 3.31Å; L370-R372 PolarHBondContact O-N 3.39Å; R372-R376 WeakPolarHBondContact O-CG 3.36Å |
| 373 | E | 85.6 | Confident | 82.8 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -87 | -36.8 | 176 | -66.1 | -65.2 | 177 | 0 | 0 | 112.4 | A369 L370 A371 R376 F377 M409 F412 L414 | A369-E373 PolarHBondContact O-N 3.04Å; L370-E373 PolarHBondContact O-N 3.41Å; A371-E373 VanDerWaalsContact C-N 3.34Å; A371-E373 PolarHBondContact O-N 2.85Å; E373-R376 WeakPolarHBondContact O-CB 3.46Å; E373-R376 WeakPolarHBondContact O-CD 3.41Å; E373-R376 WeakPolarHBondContact O-CG 3.48Å; E373-R376 WeakPolarHBondContact OE2-CD 3.38Å; E373-R376 IonicContact OE2-CZ 2.68Å; E373-R376 IonicContact OE2-NH1 2.66Å; E373-R376 PolarHBondContact OE2-NH1 3.28Å; E373-F377 VanDerWaalsContact O-CE2 3.24Å; E373-F377 WeakPolarHBondContact O-CE2 3.47Å; E373-M409 HydrophobicContact CB-CE 3.54Å; E373-M409 HydrophobicContact CG-CE 4.4Å; E373-F412 HydrophobicContact CG-CE1 4.44Å; E373-L414 HydrophobicContact CG-CD1 4.26Å |
| 374 | F | 86.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -79.3 | -26 | -177.5 | -80 | -98.6 | 0 | 0 | 0 | 113.6 | V358 L370 A371 R376 F377 I380 I394 Y396 A405 M409 L421 V423 | V358-F374 HydrophobicContact CB-CZ 4.34Å; V358-F374 HydrophobicContact CG1-CE2 4.18Å; V358-F374 HydrophobicContact CG1-CZ 3.76Å; V358-F374 HydrophobicContact CG2-CE1 3.71Å; V358-F374 HydrophobicContact CG2-CE2 4.44Å; V358-F374 HydrophobicContact CG2-CZ 3.56Å; L370-F374 HydrophobicContact CD2-CD2 4.07Å; L370-F374 HydrophobicContact CD2-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CB 3.4Å; L370-F374 WeakPolarHBondContact O-CD2 3.43Å; L370-F374 PolarHBondContact O-N 2.86Å; A371-F374 PolarHBondContact O-N 3.27Å; F374-R376 PolarHBondContact O-N 3.22Å; F374-F377 WeakPolarHBondContact O-CD2 3.31Å; F374-F377 PolarHBondContact O-N 3.33Å; F374-I380 HydrophobicContact CB-CD1 3.85Å; F374-I394 HydrophobicContact CB-CD1 3.87Å; F374-I394 HydrophobicContact CD1-CD1 3.48Å; F374-I394 VanDerWaalsContact CD1-CD1 3.48Å; F374-I394 HydrophobicContact CD2-CD1 3.7Å; F374-I394 HydrophobicContact CE1-CD1 3.88Å; F374-I394 HydrophobicContact CE2-CD1 4.06Å; F374-I394 HydrophobicContact CG-CD1 3.39Å; F374-I394 HydrophobicContact CZ-CD1 4.15Å; F374-Y396 WeakPolarHBondContact CB-OH 3.44Å; F374-Y396 WeakPolarHBondContact CD1-OH 3.5Å; F374-Y396 PolarHBondContact O-OH 2.83Å; F374-A405 HydrophobicContact CD1-CB 4.23Å; F374-M409 HydrophobicContact CD1-CG 4.17Å; F374-M409 HydrophobicContact CD2-CE 3.76Å; F374-M409 HydrophobicContact CE1-CB 3.82Å; F374-M409 HydrophobicContact CE1-CG 3.73Å; F374-M409 HydrophobicContact CE2-CB 4.35Å; F374-M409 HydrophobicContact CE2-CE 3.41Å; F374-M409 VanDerWaalsContact CE2-CE 3.41Å; F374-M409 HydrophobicContact CE2-CG 4.15Å; F374-M409 HydrophobicContact CZ-CB 3.6Å; F374-M409 HydrophobicContact CZ-CE 3.91Å; F374-M409 HydrophobicContact CZ-CG 3.73Å; F374-L421 HydrophobicContact CE2-CD1 3.91Å; F374-L421 HydrophobicContact CZ-CD1 4.09Å; F374-V423 HydrophobicContact CZ-CG2 4.3Å |
| 375 | D | 88.1 | Confident | 84.8 | Confident | 103 Ų | 103 | 64 Ų | 64 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -59.6 | -29.7 | 175.9 | -178.6 | 64.6 | 0 | 0 | 0 | 112.3 | A371 F377 G378 I380 | A371-D375 WeakPolarHBondContact O-CB 3.43Å; A371-D375 PolarHBondContact O-N 3.32Å; D375-F377 PolarHBondContact O-N 2.83Å; D375-G378 PolarHBondContact O-N 2.87Å; D375-I380 HydrophobicContact CB-CD1 4.44Å |
| 376 | R | 84.4 | Confident | 85.2 | Confident | 172 Ų | 172 | 67.7 Ų | 67.7 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -59.7 | -14.8 | 179.6 | -56.6 | 174.9 | 63.3 | -172.5 | -3.3 | 114.7 | R372 E373 F374 | R372-R376 WeakPolarHBondContact O-CG 3.36Å; E373-R376 WeakPolarHBondContact O-CB 3.46Å; E373-R376 WeakPolarHBondContact O-CD 3.41Å; E373-R376 WeakPolarHBondContact O-CG 3.48Å; E373-R376 WeakPolarHBondContact OE2-CD 3.38Å; E373-R376 IonicContact OE2-CZ 2.68Å; E373-R376 IonicContact OE2-NH1 2.66Å; E373-R376 PolarHBondContact OE2-NH1 3.28Å; F374-R376 PolarHBondContact O-N 3.22Å |
| 377 | F | 85.5 | Confident | 85 | Confident | 35 Ų | 35 | 74 Ų | 74 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -101.9 | -6.6 | 179.7 | -51.6 | -69 | 0 | 0 | 0 | 113.4 | E373 F374 D375 Y396 A401 A404 A405 Q408 M409 | E373-F377 VanDerWaalsContact O-CE2 3.24Å; E373-F377 WeakPolarHBondContact O-CE2 3.47Å; F374-F377 WeakPolarHBondContact O-CD2 3.31Å; F374-F377 PolarHBondContact O-N 3.33Å; D375-F377 PolarHBondContact O-N 2.83Å; F377-Y396 HydrophobicContact CB-CE1 4.36Å; F377-A401 VanDerWaalsContact O-CA 3.31Å; F377-A401 WeakPolarHBondContact O-CA 3.3Å; F377-A401 WeakPolarHBondContact O-CB 3.46Å; F377-A404 HydrophobicContact CB-CB 4.47Å; F377-A404 HydrophobicContact CD1-CB 4.3Å; F377-A405 HydrophobicContact CB-CB 3.88Å; F377-A405 HydrophobicContact CD2-CB 3.62Å; F377-A405 HydrophobicContact CE2-CB 4.41Å; F377-A405 HydrophobicContact CG-CB 3.79Å; F377-Q408 HydrophobicContact CE1-CB 3.79Å; F377-Q408 HydrophobicContact CE1-CG 4.27Å; F377-Q408 HydrophobicContact CZ-CB 3.98Å; F377-M409 HydrophobicContact CD2-CG 4.28Å; F377-M409 HydrophobicContact CE2-CG 3.4Å; F377-M409 VanDerWaalsContact CE2-CG 3.4Å; F377-M409 HydrophobicContact CE2-SD 3.58Å; F377-M409 VanDerWaalsContact CE2-SD 3.58Å; F377-M409 HydrophobicContact CZ-CG 3.86Å; F377-M409 HydrophobicContact CZ-SD 3.75Å |
| 378 | G | 85.3 | Confident | 84.3 | Confident | 28 Ų | 28 | 73.3 Ų | 73.3 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 133.6 | 172.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | D375 I380 Y396 | D375-G378 PolarHBondContact O-N 2.87Å; G378-I380 PolarHBondContact O-N 2.88Å; G378-Y396 WeakPolarHBondContact O-CD1 3.46Å; G378-Y396 VanDerWaalsContact O-CE1 3.23Å; G378-Y396 WeakPolarHBondContact O-CE1 3.27Å |
| 379 | S | 88.6 | Confident | 84 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 51% | 0.51 | 37% | 0.367 | S | S | . | . | trans | -52.7 | 117.3 | -173.1 | -45.1 | 0 | 0 | 0 | 0 | 113.4 | E397 | S379-E397 PolarHBondContact O-N 2.91Š| ||
| 380 | I | 90.3 | Very high | 83.9 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 21% | 0.21 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.5 | 172.3 | -55.7 | 176.9 | 0 | 0 | 0 | 109 | F374 D375 G378 N382 I383 I394 Y396 | F374-I380 HydrophobicContact CB-CD1 3.85Å; D375-I380 HydrophobicContact CB-CD1 4.44Å; G378-I380 PolarHBondContact O-N 2.88Å; I380-N382 WeakPolarHBondContact CG2-O 3.33Å; I380-I383 HydrophobicContact CD1-CD1 3.98Å; I380-I383 HydrophobicContact CD1-CG1 4.47Å; I380-I383 HydrophobicContact CG2-CD1 4.21Å; I380-I383 HydrophobicContact CG2-CG1 3.64Å; I380-I394 HydrophobicContact CD1-CG2 4.22Å; I380-I394 HydrophobicContact CG1-CG2 4.35Å; I380-I394 HydrophobicContact CG2-CG2 3.92Å; I380-Y396 HydrophobicContact CG1-CD1 4.1Å; I380-Y396 HydrophobicContact CG1-CE1 3.72Å |
| 381 | R | 87.7 | Confident | 83.9 | Confident | 157 Ų | 157 | 78 Ų | 78 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -36.1 | 175 | -71.9 | -177.7 | 168.3 | -175.9 | -0.9 | 113.1 | Q395 E397 | R381-Q395 PolarHBondContact N-O 2.92Å; R381-E397 HydrophobicContact CG-CB 4.1Å; R381-E397 IonicContact CZ-OE1 2.71Å; R381-E397 IonicContact NE-OE1 2.81Å; R381-E397 PolarHBondContact NE-OE1 3.09Å; R381-E397 IonicContact NH2-OE1 2.74Å; R381-E397 PolarHBondContact NH2-OE1 3.07Å |
| 382 | N | 86.3 | Confident | 84.1 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 151.5 | 177.3 | -174.2 | 27.8 | 0 | 0 | 0 | 111.8 | I380 D384 Q395 | I380-N382 WeakPolarHBondContact CG2-O 3.33Å; N382-D384 PolarHBondContact ND2-OD1 2.73Å; N382-Q395 PolarHBondContact N-O 2.91Å; N382-Q395 PolarHBondContact O-N 3.37Å |
| 383 | I | 88.3 | Confident | 84.3 | Confident | 30 Ų | 30 | 69.2 Ų | 69.2 | 15% | 0.154 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 103.8 | 169.1 | -54.5 | 178 | 0 | 0 | 0 | 109.1 | L367 A371 I380 Y385 Y393 I394 | L367-I383 HydrophobicContact CD1-CB 3.82Å; L367-I383 HydrophobicContact CD1-CD1 4.18Å; L367-I383 HydrophobicContact CD1-CG2 3.47Å; L367-I383 VanDerWaalsContact CD1-CG2 3.47Å; A371-I383 HydrophobicContact CB-CD1 3.89Å; I380-I383 HydrophobicContact CD1-CD1 3.98Å; I380-I383 HydrophobicContact CD1-CG1 4.47Å; I380-I383 HydrophobicContact CG2-CD1 4.21Å; I380-I383 HydrophobicContact CG2-CG1 3.64Å; I383-Y385 PolarHBondContact O-N 3.31Å; I383-Y385 VanDerWaalsContact O-N 3.16Å; I383-Y393 CarbonylContact C-O 3.57Å; I383-Y393 WeakPolarHBondContact CA-O 3.41Å; I383-I394 HydrophobicContact CG1-CG1 4.28Å; I383-I394 HydrophobicContact CG1-CG2 4.42Å; I383-I394 HydrophobicContact CG2-CG1 4.04Å |
| 384 | D | 86.3 | Confident | 84.5 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 91.6 | 170.1 | -54.7 | -48.6 | 0 | 0 | 0 | 108.6 | R355 N382 A392 Y393 | R355-D384 IonicContact CZ-OD2 2.71Å; R355-D384 IonicContact NH1-OD2 3.16Å; R355-D384 IonicContact NH2-OD2 3.54Å; R355-D384 PolarHBondContact NH2-OD2 3.41Å; N382-D384 PolarHBondContact ND2-OD1 2.73Å; D384-A392 WeakPolarHBondContact O-CA 3.33Å; D384-Y393 PolarHBondContact N-O 2.82Å; D384-Y393 PolarHBondContact O-N 2.66Å |
| 385 | Y | 86 | Confident | 84.8 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 10% | 0.098 | 35% | 0.351 | C | S | . | . | trans | -125.2 | 117.6 | 171 | -178.2 | -117.3 | 0 | 0 | 0 | 112.1 | L361 L367 L370 I383 G388 D389 F391 A392 | L361-Y385 HydrophobicContact CD1-CD2 3.8Å; L361-Y385 HydrophobicContact CD1-CE2 3.49Å; L361-Y385 VanDerWaalsContact CD1-CE2 3.49Å; L367-Y385 HydrophobicContact CB-CD1 4.22Å; L370-Y385 HydrophobicContact CD1-CD1 4.11Å; L370-Y385 HydrophobicContact CD1-CD2 4.17Å; L370-Y385 HydrophobicContact CD1-CG 3.92Å; I383-Y385 PolarHBondContact O-N 3.31Å; I383-Y385 VanDerWaalsContact O-N 3.16Å; Y385-G388 PolarHBondContact OH-N 3.37Å; Y385-D389 HydrophobicContact CE2-CB 4.47Å; Y385-D389 VanDerWaalsContact CE2-O 3.29Å; Y385-D389 WeakPolarHBondContact CE2-O 3.45Å; Y385-D389 PolarHBondContact OH-O 3.41Å; Y385-D389 VanDerWaalsContact OH-O 3.05Å; Y385-F391 WeakPolarHBondContact CD2-O 3.23Å; Y385-A392 HydrophobicContact CD2-CB 3.73Å; Y385-A392 HydrophobicContact CG-CB 4.22Å | ||
| 386 | V | 79.9 | Confident | 84.9 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 56% | 0.564 | 33% | 0.325 | S | S | * | . | trans | -89.3 | 122.8 | 172.4 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | G388 D389 | V386-G388 PolarHBondContact O-N 2.89Å; V386-D389 HydrophobicContact CB-CB 4.37Å; V386-D389 PolarHBondContact O-N 2.9Å | ||
| 387 | K | 71.6 | Confident | 85.2 | Confident | 188 Ų | 188 | 60.3 Ų | 60.3 | 82% | 0.817 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 109.4 | -179.8 | -66.5 | 178.5 | -177.1 | 173.5 | 0 | 110.3 | ||
| 388 | G | 67.1 | Low | 85.5 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 57% | 0.567 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.7 | -13.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y385 V386 | Y385-G388 PolarHBondContact OH-N 3.37Å; V386-G388 PolarHBondContact O-N 2.89Å |
| 389 | D | 77.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | trans | -73.8 | 148.5 | 167.7 | -86.1 | -23.3 | 0 | 0 | 0 | 110.9 | Y385 V386 F391 | Y385-D389 HydrophobicContact CE2-CB 4.47Å; Y385-D389 VanDerWaalsContact CE2-O 3.29Å; Y385-D389 WeakPolarHBondContact CE2-O 3.45Å; Y385-D389 PolarHBondContact OH-O 3.41Å; Y385-D389 VanDerWaalsContact OH-O 3.05Å; V386-D389 HydrophobicContact CB-CB 4.37Å; V386-D389 PolarHBondContact O-N 2.9Å; D389-F391 HydrophobicContact CB-CD1 4.41Å; D389-F391 HydrophobicContact CB-CE1 4.25Å; D389-F391 PolarHBondContact O-N 3.24Å | ||
| 390 | N | 81.6 | Confident | 85.8 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -84.4 | 8.6 | 176.5 | -60.8 | -38.3 | 0 | 0 | 0 | 112.7 | G359 G360 L361 | G359-N390 CarbonylContact C-O 3.48Å; G360-N390 PolarHBondContact N-O 2.92Å; G360-N390 VanDerWaalsContact N-O 3.13Å; L361-N390 PolarHBondContact N-O 3.09Å; L361-N390 PolarHBondContact O-OD1 3.41Å |
| 391 | F | 85.8 | Confident | 85.8 | Confident | 68 Ų | 68 | 64 Ų | 64 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.3 | -179.8 | 64.1 | -86.1 | 0 | 0 | 0 | 112.5 | W357 V358 Y385 D389 Y393 | W357-F391 HydrophobicContact CZ2-CB 4.06Å; W357-F391 AromaticContact NE1-CD2 3.62Å; W357-F391 AromaticContact NE1-CG 3.62Å; V358-F391 CarbonylContact O-C 3.46Å; V358-F391 WeakPolarHBondContact O-CA 3.4Å; Y385-F391 WeakPolarHBondContact CD2-O 3.23Å; D389-F391 HydrophobicContact CB-CD1 4.41Å; D389-F391 HydrophobicContact CB-CE1 4.25Å; D389-F391 PolarHBondContact O-N 3.24Å; F391-Y393 HydrophobicContact CD2-CE2 4.12Å; F391-Y393 AromaticContact CE2-CE2 3.95Å; F391-Y393 HydrophobicContact CE2-CE2 3.95Å |
| 392 | A | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 162.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V358 L361 L370 D384 Y385 | V358-A392 PolarHBondContact N-O 3.24Å; V358-A392 PolarHBondContact O-N 3.3Å; L361-A392 HydrophobicContact CD1-CB 3.93Å; L370-A392 HydrophobicContact CD1-CB 4.19Å; D384-A392 WeakPolarHBondContact O-CA 3.33Å; Y385-A392 HydrophobicContact CD2-CB 3.73Å; Y385-A392 HydrophobicContact CG-CB 4.22Å |
| 393 | Y | 89.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 15% | 0.153 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.2 | 159.5 | -59.2 | -87.9 | 0 | 0 | 0 | 110.2 | N322 L356 W357 I383 D384 F391 A426 | N322-Y393 PolarHBondContact OD1-OH 3.44Å; L356-Y393 CarbonylContact O-C 3.56Å; L356-Y393 VanDerWaalsContact O-CA 3.26Å; L356-Y393 WeakPolarHBondContact O-CA 3.44Å; W357-Y393 HydrophobicContact CB-CD1 3.95Å; W357-Y393 HydrophobicContact CB-CE1 3.83Å; W357-Y393 AromaticContact CD1-CE1 3.43Å; W357-Y393 VanDerWaalsContact CD1-CE1 3.43Å; W357-Y393 AromaticContact CD1-CZ 3.61Å; W357-Y393 HydrophobicContact CG-CD1 4.41Å; W357-Y393 AromaticContact CG-CE1 4Å; W357-Y393 HydrophobicContact CG-CE1 4Å; I383-Y393 CarbonylContact C-O 3.57Å; I383-Y393 WeakPolarHBondContact CA-O 3.41Å; D384-Y393 PolarHBondContact N-O 2.82Å; D384-Y393 PolarHBondContact O-N 2.66Å; F391-Y393 HydrophobicContact CD2-CE2 4.12Å; F391-Y393 AromaticContact CE2-CE2 3.95Å; F391-Y393 HydrophobicContact CE2-CE2 3.95Å; Y393-A426 HydrophobicContact CD1-CB 3.88Å; Y393-A426 HydrophobicContact CE1-CB 4.04Å |
| 394 | I | 91 | Very high | 86.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.9 | 179.1 | -62 | -179.6 | 0 | 0 | 0 | 107.9 | R355 L356 V358 L370 F374 I380 I383 Y396 | R355-I394 CarbonylContact C-O 3.58Å; R355-I394 WeakPolarHBondContact CA-O 3.43Å; L356-I394 PolarHBondContact N-O 3.23Å; L356-I394 PolarHBondContact O-N 2.9Å; V358-I394 HydrophobicContact CG2-CD1 4.02Å; V358-I394 HydrophobicContact CG2-CG1 4.37Å; L370-I394 HydrophobicContact CD2-CD1 4.22Å; F374-I394 HydrophobicContact CB-CD1 3.87Å; F374-I394 HydrophobicContact CD1-CD1 3.48Å; F374-I394 VanDerWaalsContact CD1-CD1 3.48Å; F374-I394 HydrophobicContact CD2-CD1 3.7Å; F374-I394 HydrophobicContact CE1-CD1 3.88Å; F374-I394 HydrophobicContact CE2-CD1 4.06Å; F374-I394 HydrophobicContact CG-CD1 3.39Å; F374-I394 HydrophobicContact CZ-CD1 4.15Å; I380-I394 HydrophobicContact CD1-CG2 4.22Å; I380-I394 HydrophobicContact CG1-CG2 4.35Å; I380-I394 HydrophobicContact CG2-CG2 3.92Å; I383-I394 HydrophobicContact CG1-CG1 4.28Å; I383-I394 HydrophobicContact CG1-CG2 4.42Å; I383-I394 HydrophobicContact CG2-CG1 4.04Å; I394-Y396 HydrophobicContact CG2-CD2 4.21Å; I394-Y396 HydrophobicContact CG2-CE2 3.81Å |
| 395 | Q | 91 | Very high | 86.3 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118 | 177.1 | -173 | 169 | 0.6 | 0 | 0 | 110.4 | T354 R355 R381 N382 | T354-Q395 WeakPolarHBondContact O-CA 3.35Å; R355-Q395 HydrophobicContact CB-CB 4.44Å; R355-Q395 HydrophobicContact CB-CG 4.39Å; R355-Q395 HydrophobicContact CG-CB 4.35Å; R381-Q395 PolarHBondContact N-O 2.92Å; N382-Q395 PolarHBondContact N-O 2.91Å; N382-Q395 PolarHBondContact O-N 3.37Å |
| 396 | Y | 92 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 160.7 | 174 | -74.5 | -84 | 0 | 0 | 0 | 112.2 | T354 L356 F374 F377 G378 I380 I394 S398 A401 A402 A405 | T354-Y396 PolarHBondContact O-N 3.14Å; L356-Y396 HydrophobicContact CD1-CD2 4.42Å; L356-Y396 HydrophobicContact CD1-CE2 3.91Å; L356-Y396 HydrophobicContact CG-CE2 4.45Å; F374-Y396 WeakPolarHBondContact CB-OH 3.44Å; F374-Y396 WeakPolarHBondContact CD1-OH 3.5Å; F374-Y396 PolarHBondContact O-OH 2.83Å; F377-Y396 HydrophobicContact CB-CE1 4.36Å; G378-Y396 WeakPolarHBondContact O-CD1 3.46Å; G378-Y396 VanDerWaalsContact O-CE1 3.23Å; G378-Y396 WeakPolarHBondContact O-CE1 3.27Å; I380-Y396 HydrophobicContact CG1-CD1 4.1Å; I380-Y396 HydrophobicContact CG1-CE1 3.72Å; I394-Y396 HydrophobicContact CG2-CD2 4.21Å; I394-Y396 HydrophobicContact CG2-CE2 3.81Å; Y396-S398 WeakPolarHBondContact CB-O 3.49Å; Y396-A401 HydrophobicContact CD1-CB 3.73Å; Y396-A401 HydrophobicContact CE1-CB 4.28Å; Y396-A401 HydrophobicContact CG-CB 4.1Å; Y396-A402 HydrophobicContact CD2-CB 3.8Å; Y396-A402 HydrophobicContact CG-CB 4.28Å; Y396-A405 HydrophobicContact CE2-CB 3.67Å; Y396-A405 VanDerWaalsContact OH-CB 3.23Å; Y396-A405 WeakPolarHBondContact OH-CB 3.45Å |
| 397 | E | 90.4 | Very high | 86.7 | Confident | 99 Ų | 99 | 53.4 Ų | 53.4 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -71.1 | -50.1 | 165.6 | -179.7 | 132.5 | -101.4 | 0 | 0 | 112.4 | S379 R381 | S379-E397 PolarHBondContact O-N 2.91Å; R381-E397 HydrophobicContact CG-CB 4.1Å; R381-E397 IonicContact CZ-OE1 2.71Å; R381-E397 IonicContact NE-OE1 2.81Å; R381-E397 PolarHBondContact NE-OE1 3.09Å; R381-E397 IonicContact NH2-OE1 2.74Å; R381-E397 PolarHBondContact NH2-OE1 3.07Å |
| 398 | S | 91.1 | Very high | 87.3 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | trans | -94.9 | 141.8 | -178.7 | 179.5 | 0 | 0 | 0 | 0 | 112 | Y396 D400 A402 | Y396-S398 WeakPolarHBondContact CB-O 3.49Å; S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact OG-N 2.8Å; S398-D400 VanDerWaalsContact OG-N 3.14Å; S398-A402 PolarHBondContact O-N 2.94Å | ||
| 399 | L | 89.2 | Confident | 88.2 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 169.5 | -175.4 | 65.7 | 0 | 0 | 0 | 111.2 | P352 T354 A402 Q403 | P352-L399 HydrophobicContact CB-CD1 4.25Å; T354-L399 HydrophobicContact CG2-CB 4.19Å; T354-L399 HydrophobicContact CG2-CD1 4.32Å; L399-A402 PolarHBondContact O-N 3.26Å; L399-Q403 VanDerWaalsContact O-CG 3.32Å; L399-Q403 WeakPolarHBondContact O-CG 3.32Å; L399-Q403 PolarHBondContact O-N 3.38Å |
| 400 | D | 91.3 | Very high | 88.4 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 63% | 0.626 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -68 | -40.9 | -179.1 | -167.5 | 54.4 | 0 | 0 | 0 | 111.3 | S398 A402 Q403 A404 | S398-D400 VanDerWaalsContact C-N 3.29Å; S398-D400 PolarHBondContact OG-N 2.8Å; S398-D400 VanDerWaalsContact OG-N 3.14Å; D400-A402 PolarHBondContact O-N 3.21Å; D400-Q403 PolarHBondContact O-N 2.88Å; D400-Q403 VanDerWaalsContact O-N 3.09Å; D400-A404 WeakPolarHBondContact O-CB 3.38Å; D400-A404 PolarHBondContact O-N 2.89Å |
| 401 | A | 90.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | F377 Y396 Q403 A404 A405 | F377-A401 VanDerWaalsContact O-CA 3.31Å; F377-A401 WeakPolarHBondContact O-CA 3.3Å; F377-A401 WeakPolarHBondContact O-CB 3.46Å; Y396-A401 HydrophobicContact CD1-CB 3.73Å; Y396-A401 HydrophobicContact CE1-CB 4.28Å; Y396-A401 HydrophobicContact CG-CB 4.1Å; A401-Q403 VanDerWaalsContact C-N 3.31Å; A401-Q403 PolarHBondContact O-N 3.29Å; A401-A404 PolarHBondContact O-N 2.84Å; A401-A405 WeakPolarHBondContact O-CB 3.31Å; A401-A405 PolarHBondContact O-N 3.23Å |
| 402 | A | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -35.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T353 L356 Y396 S398 L399 D400 C406 | T353-A402 VanDerWaalsContact O-CB 3.3Å; T353-A402 WeakPolarHBondContact O-CB 3.4Å; L356-A402 HydrophobicContact CD2-CB 4.14Å; L356-A402 HydrophobicContact CG-CB 4.35Å; Y396-A402 HydrophobicContact CD2-CB 3.8Å; Y396-A402 HydrophobicContact CG-CB 4.28Å; S398-A402 PolarHBondContact O-N 2.94Å; L399-A402 PolarHBondContact O-N 3.26Å; D400-A402 PolarHBondContact O-N 3.21Å; A402-C406 WeakPolarHBondContact O-CB 3.43Å; A402-C406 PolarHBondContact O-N 3.08Å |
| 403 | Q | 89.3 | Confident | 87.4 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 176.2 | -71.4 | -179.4 | -105.3 | 0 | 0 | 112.7 | P352 L399 D400 A401 T407 F425 | P352-Q403 HydrophobicContact CB-CG 3.91Å; L399-Q403 VanDerWaalsContact O-CG 3.32Å; L399-Q403 WeakPolarHBondContact O-CG 3.32Å; L399-Q403 PolarHBondContact O-N 3.38Å; D400-Q403 PolarHBondContact O-N 2.88Å; D400-Q403 VanDerWaalsContact O-N 3.09Å; A401-Q403 VanDerWaalsContact C-N 3.31Å; A401-Q403 PolarHBondContact O-N 3.29Å; Q403-T407 WeakPolarHBondContact O-CG2 3.46Å; Q403-T407 PolarHBondContact O-N 3.05Å; Q403-T407 VanDerWaalsContact O-N 3.17Å; Q403-T407 PolarHBondContact O-OG1 3.01Å; Q403-F425 HydrophobicContact CB-CZ 4.48Å; Q403-F425 HydrophobicContact CG-CE1 4.15Å; Q403-F425 HydrophobicContact CG-CZ 3.88Å |
| 404 | A | 89.9 | Confident | 86.3 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -47 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F377 D400 A401 T407 Q408 | F377-A404 HydrophobicContact CB-CB 4.47Å; F377-A404 HydrophobicContact CD1-CB 4.3Å; D400-A404 WeakPolarHBondContact O-CB 3.38Å; D400-A404 PolarHBondContact O-N 2.89Å; A401-A404 PolarHBondContact O-N 2.84Å; A404-T407 PolarHBondContact O-N 2.85Å; A404-T407 PolarHBondContact O-OG1 2.99Å; A404-T407 VanDerWaalsContact O-OG1 3.06Å; A404-Q408 WeakPolarHBondContact O-CB 3.39Å; A404-Q408 WeakPolarHBondContact O-CG 3.47Å; A404-Q408 PolarHBondContact O-N 2.81Å |
| 405 | A | 89.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L356 F374 F377 Y396 A401 T407 Q408 M409 | L356-A405 HydrophobicContact CD1-CB 3.79Å; F374-A405 HydrophobicContact CD1-CB 4.23Å; F377-A405 HydrophobicContact CB-CB 3.88Å; F377-A405 HydrophobicContact CD2-CB 3.62Å; F377-A405 HydrophobicContact CE2-CB 4.41Å; F377-A405 HydrophobicContact CG-CB 3.79Å; Y396-A405 HydrophobicContact CE2-CB 3.67Å; Y396-A405 VanDerWaalsContact OH-CB 3.23Å; Y396-A405 WeakPolarHBondContact OH-CB 3.45Å; A401-A405 WeakPolarHBondContact O-CB 3.31Å; A401-A405 PolarHBondContact O-N 3.23Å; A405-T407 PolarHBondContact O-N 2.81Å; A405-Q408 PolarHBondContact O-N 2.88Å; A405-M409 VanDerWaalsContact O-CB 3.27Å; A405-M409 WeakPolarHBondContact O-CB 3.44Å; A405-M409 PolarHBondContact O-N 2.82Å |
| 406 | C | 87.5 | Confident | 83.6 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -26.1 | 179.7 | -170 | 0 | 0 | 0 | 0 | 113.5 | L356 A402 V423 F425 | L356-C406 HydrophobicContact CD1-CB 4.03Å; L356-C406 HydrophobicContact CD2-CB 3.83Å; A402-C406 WeakPolarHBondContact O-CB 3.43Å; A402-C406 PolarHBondContact O-N 3.08Å; C406-V423 HydrophobicContact CB-CG1 4.25Å; C406-F425 HydrophobicContact CB-CE1 4Å; C406-F425 HydrophobicContact CB-CE2 4.05Å; C406-F425 HydrophobicContact CB-CZ 3.62Å; C406-F425 VanDerWaalsContact SG-CE2 3.6Å |
| 407 | T | 86.3 | Confident | 82 | Confident | 104 Ų | 104 | 52.6 Ų | 52.6 | 64% | 0.638 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -89.9 | -36.6 | 178.1 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | Q403 A404 A405 | Q403-T407 WeakPolarHBondContact O-CG2 3.46Å; Q403-T407 PolarHBondContact O-N 3.05Å; Q403-T407 VanDerWaalsContact O-N 3.17Å; Q403-T407 PolarHBondContact O-OG1 3.01Å; A404-T407 PolarHBondContact O-N 2.85Å; A404-T407 PolarHBondContact O-OG1 2.99Å; A404-T407 VanDerWaalsContact O-OG1 3.06Å; A405-T407 PolarHBondContact O-N 2.81Å |
| 408 | Q | 84.7 | Confident | 80.6 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -88.1 | -33 | -177.3 | -68.4 | -178.7 | 74.3 | 0 | 0 | 114.1 | F377 A404 A405 R410 | F377-Q408 HydrophobicContact CE1-CB 3.79Å; F377-Q408 HydrophobicContact CE1-CG 4.27Å; F377-Q408 HydrophobicContact CZ-CB 3.98Å; A404-Q408 WeakPolarHBondContact O-CB 3.39Å; A404-Q408 WeakPolarHBondContact O-CG 3.47Å; A404-Q408 PolarHBondContact O-N 2.81Å; A405-Q408 PolarHBondContact O-N 2.88Å; Q408-R410 VanDerWaalsContact C-N 3.33Å |
| 409 | M | 85.6 | Confident | 79.5 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -84.4 | -7.1 | 178.5 | -61.7 | -58.9 | -78.5 | 0 | 0 | 113.1 | E373 F374 F377 A405 G411 F412 L421 V423 | E373-M409 HydrophobicContact CB-CE 3.54Å; E373-M409 HydrophobicContact CG-CE 4.4Å; F374-M409 HydrophobicContact CD1-CG 4.17Å; F374-M409 HydrophobicContact CD2-CE 3.76Å; F374-M409 HydrophobicContact CE1-CB 3.82Å; F374-M409 HydrophobicContact CE1-CG 3.73Å; F374-M409 HydrophobicContact CE2-CB 4.35Å; F374-M409 HydrophobicContact CE2-CE 3.41Å; F374-M409 VanDerWaalsContact CE2-CE 3.41Å; F374-M409 HydrophobicContact CE2-CG 4.15Å; F374-M409 HydrophobicContact CZ-CB 3.6Å; F374-M409 HydrophobicContact CZ-CE 3.91Å; F374-M409 HydrophobicContact CZ-CG 3.73Å; F377-M409 HydrophobicContact CD2-CG 4.28Å; F377-M409 HydrophobicContact CE2-CG 3.4Å; F377-M409 VanDerWaalsContact CE2-CG 3.4Å; F377-M409 HydrophobicContact CE2-SD 3.58Å; F377-M409 VanDerWaalsContact CE2-SD 3.58Å; F377-M409 HydrophobicContact CZ-CG 3.86Å; F377-M409 HydrophobicContact CZ-SD 3.75Å; A405-M409 VanDerWaalsContact O-CB 3.27Å; A405-M409 WeakPolarHBondContact O-CB 3.44Å; A405-M409 PolarHBondContact O-N 2.82Å; M409-G411 PolarHBondContact O-N 3.43Å; M409-F412 HydrophobicContact CE-CD1 3.88Å; M409-F412 HydrophobicContact CE-CE1 4.24Å; M409-F412 HydrophobicContact CE-CG 4.24Å; M409-F412 WeakPolarHBondContact O-CB 3.35Å; M409-F412 PolarHBondContact O-N 2.82Å; M409-F412 HydrophobicContact SD-CB 4.45Å; M409-F412 HydrophobicContact SD-CD1 4.39Å; M409-F412 HydrophobicContact SD-CD2 4.44Å; M409-F412 HydrophobicContact SD-CG 4.18Å; M409-L421 HydrophobicContact CB-CD1 4.47Å; M409-L421 HydrophobicContact CE-CD1 3.75Å; M409-L421 VanDerWaalsContact O-CB 3.31Å; M409-L421 WeakPolarHBondContact O-CB 3.35Å; M409-V423 HydrophobicContact CB-CG2 3.96Å |
| 410 | R | 82.6 | Confident | 79 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 123.9 | 174 | -174.4 | -171.7 | -170.1 | 108.6 | 35.1 | 110.6 | P265 D268 Q269 A271 Q408 F412 | P265-R410 PolarHBondContact O-NH2 3.27Å; D268-R410 PolarHBondContact O-NE 2.73Å; D268-R410 PolarHBondContact O-NH2 3.28Å; D268-R410 VanDerWaalsContact O-NH2 3.11Å; Q269-R410 PolarHBondContact O-NH1 3.29Å; Q269-R410 VanDerWaalsContact O-NH1 3.15Å; A271-R410 VanDerWaalsContact O-CZ 3.24Å; A271-R410 PolarHBondContact O-NH1 3.5Å; A271-R410 PolarHBondContact O-NH2 3.02Å; Q408-R410 VanDerWaalsContact C-N 3.33Å; R410-F412 PolarHBondContact O-N 3.15Å |
| 411 | G | 75.4 | Confident | 78.6 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -1.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | M409 L421 | M409-G411 PolarHBondContact O-N 3.43Å; G411-L421 PolarHBondContact N-O 2.98Å |
| 412 | F | 80.8 | Confident | 78.2 | Confident | 63 Ų | 63 | 53.7 Ų | 53.7 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | trans | -66.6 | 130 | -178.9 | -174.5 | -92.3 | 0 | 0 | 0 | 110.9 | E373 M409 R410 L414 R420 L421 | E373-F412 HydrophobicContact CG-CE1 4.44Å; M409-F412 HydrophobicContact CE-CD1 3.88Å; M409-F412 HydrophobicContact CE-CE1 4.24Å; M409-F412 HydrophobicContact CE-CG 4.24Å; M409-F412 WeakPolarHBondContact O-CB 3.35Å; M409-F412 PolarHBondContact O-N 2.82Å; M409-F412 HydrophobicContact SD-CB 4.45Å; M409-F412 HydrophobicContact SD-CD1 4.39Å; M409-F412 HydrophobicContact SD-CD2 4.44Å; M409-F412 HydrophobicContact SD-CG 4.18Å; R410-F412 PolarHBondContact O-N 3.15Å; F412-L414 HydrophobicContact CD1-CB 4.32Å; F412-L414 HydrophobicContact CE1-CD1 4.24Å; F412-L414 PolarHBondContact O-N 2.89Å; F412-L414 VanDerWaalsContact O-N 3.14Å; F412-R420 WeakPolarHBondContact O-CA 3.31Å; F412-L421 HydrophobicContact CB-CD1 4.39Å; F412-L421 HydrophobicContact CD1-CD1 4.26Å; F412-L421 WeakPolarHBondContact O-CG 3.47Å; F412-L421 PolarHBondContact O-N 2.97Å | ||
| 413 | P | 76.8 | Confident | 78.1 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -81.8 | 91.2 | -176.5 | 31.9 | -34.2 | 0 | 0 | 0 | 111.7 | G416 H419 | P413-G416 WeakPolarHBondContact CB-O 3.42Å; P413-H419 CarbonylContact C-O 3.54Å; P413-H419 WeakPolarHBondContact CA-O 3.16Å |
| 414 | L | 68.3 | Low | 77.9 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -98.6 | 107.8 | 176.7 | -167.5 | 73.7 | 0 | 0 | 0 | 110.2 | L361 N365 L370 E373 F412 H419 L421 | L361-L414 HydrophobicContact CD2-CD2 4.19Å; N365-L414 PolarHBondContact ND2-O 3.11Å; N365-L414 PolarHBondContact OD1-O 2.93Å; L370-L414 HydrophobicContact CD2-CD2 4.31Å; L370-L414 HydrophobicContact CG-CD2 4.3Å; E373-L414 HydrophobicContact CG-CD1 4.26Å; F412-L414 HydrophobicContact CD1-CB 4.32Å; F412-L414 HydrophobicContact CE1-CD1 4.24Å; F412-L414 PolarHBondContact O-N 2.89Å; F412-L414 VanDerWaalsContact O-N 3.14Å; L414-H419 PolarHBondContact N-O 3.18Å; L414-H419 WeakPolarHBondContact O-CB 3.33Å; L414-L421 HydrophobicContact CB-CD1 3.93Å; L414-L421 HydrophobicContact CB-CD2 3.85Å; L414-L421 HydrophobicContact CB-CG 3.8Å; L414-L421 HydrophobicContact CD2-CD1 4.21Å; L414-L421 HydrophobicContact CD2-CD2 4.12Å |
| 415 | G | 60 | Low | 77.8 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 97.3 | -1.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | N365 | N365-G415 WeakPolarHBondContact OD1-CA 3.19Š|
| 416 | G | 63.4 | Low | 77.5 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 150.9 | 171.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P413 E418 H419 | P413-G416 WeakPolarHBondContact CB-O 3.42Å; G416-E418 PolarHBondContact O-N 3.31Å; G416-H419 PolarHBondContact O-N 3.48Å |
| 417 | P | 59.9 | Low | 77 | Confident | 116 Ų | 116 | 55.2 Ų | 55.2 | 75% | 0.753 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.7 | 179.9 | 26.9 | -34.8 | 0 | 0 | 0 | 113.5 | H419 | P417-H419 VanDerWaalsContact C-N 3.34Š|
| 418 | E | 60.3 | Low | 76.1 | Confident | 159 Ų | 159 | 52.7 Ų | 52.7 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.5 | 174.5 | -73.9 | -80.4 | 108.2 | 0 | 0 | 113.4 | G416 | G416-E418 PolarHBondContact O-N 3.31Š|
| 419 | H | 68.5 | Low | 74.8 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 33% | 0.333 | 28% | 0.282 | S | S | . | . | trans | -121.2 | 68 | -172 | -64.8 | -20.3 | 0 | 0 | 0 | 110.7 | P413 L414 G416 P417 | P413-H419 CarbonylContact C-O 3.54Å; P413-H419 WeakPolarHBondContact CA-O 3.16Å; L414-H419 PolarHBondContact N-O 3.18Å; L414-H419 WeakPolarHBondContact O-CB 3.33Å; G416-H419 PolarHBondContact O-N 3.48Å; P417-H419 VanDerWaalsContact C-N 3.34Å | ||
| 420 | R | 78.1 | Confident | 72.7 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 39% | 0.389 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -81 | 128.1 | 175.3 | -67.1 | -176.7 | -176.1 | -163.7 | -6 | 110.7 | E266 D267 F412 | E266-R420 HydrophobicContact CB-CB 4.23Å; E266-R420 HydrophobicContact CG-CB 3.87Å; D267-R420 IonicContact OD1-CZ 2.59Å; D267-R420 IonicContact OD1-NH1 3.58Å; D267-R420 PolarHBondContact OD1-NH1 3.28Å; F412-R420 WeakPolarHBondContact O-CA 3.31Å |
| 421 | L | 83.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -67.4 | 134.2 | 176 | -65.4 | -177.1 | 0 | 0 | 0 | 111.7 | V358 G359 L361 F374 M409 G411 F412 L414 V423 | V358-L421 HydrophobicContact CG1-CD1 4.34Å; V358-L421 HydrophobicContact CG1-CD2 3.94Å; G359-L421 WeakPolarHBondContact O-CA 3.35Å; L361-L421 HydrophobicContact CD2-CD2 3.44Å; L361-L421 VanDerWaalsContact CD2-CD2 3.44Å; L361-L421 HydrophobicContact CG-CD2 4.44Å; F374-L421 HydrophobicContact CE2-CD1 3.91Å; F374-L421 HydrophobicContact CZ-CD1 4.09Å; M409-L421 HydrophobicContact CB-CD1 4.47Å; M409-L421 HydrophobicContact CE-CD1 3.75Å; M409-L421 VanDerWaalsContact O-CB 3.31Å; M409-L421 WeakPolarHBondContact O-CB 3.35Å; G411-L421 PolarHBondContact N-O 2.98Å; F412-L421 HydrophobicContact CB-CD1 4.39Å; F412-L421 HydrophobicContact CD1-CD1 4.26Å; F412-L421 WeakPolarHBondContact O-CG 3.47Å; F412-L421 PolarHBondContact O-N 2.97Å; L414-L421 HydrophobicContact CB-CD1 3.93Å; L414-L421 HydrophobicContact CB-CD2 3.85Å; L414-L421 HydrophobicContact CB-CG 3.8Å; L414-L421 HydrophobicContact CD2-CD1 4.21Å; L414-L421 HydrophobicContact CD2-CD2 4.12Å; L421-V423 HydrophobicContact CB-CG2 4.2Å | ||
| 422 | R | 82.6 | Confident | 68.7 | Low | 42 Ų | 42 | 66 Ų | 66 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 101.5 | 173.7 | -64.6 | -169.8 | -66.9 | -86.5 | -0.7 | 108.4 | E266 L323 D324 W357 G359 | E266-R422 HydrophobicContact CG-CG 3.53Å; E266-R422 IonicContact OE1-CZ 2.63Å; E266-R422 IonicContact OE1-NH1 2.79Å; E266-R422 PolarHBondContact OE1-NH1 3.08Å; L323-R422 HydrophobicContact CD2-CB 4.25Å; D324-R422 IonicContact OD1-CZ 3.31Å; D324-R422 IonicContact OD1-NE 2.79Å; D324-R422 PolarHBondContact OD1-NE 3.42Å; D324-R422 IonicContact OD1-NH2 3.82Å; D324-R422 PolarHBondContact OD1-NH2 3.13Å; D324-R422 IonicContact OD2-CZ 2.77Å; D324-R422 IonicContact OD2-NE 3.79Å; D324-R422 IonicContact OD2-NH2 3.73Å; D324-R422 PolarHBondContact OD2-NH2 3.44Å; W357-R422 HydrophobicContact CH2-CB 4.4Å; W357-R422 HydrophobicContact CZ3-CB 4.01Å; W357-R422 VanDerWaalsContact CZ3-O 3.25Å; W357-R422 WeakPolarHBondContact CZ3-O 3.48Å; G359-R422 PolarHBondContact N-O 3.28Å; G359-R422 PolarHBondContact O-N 3.03Å |
| 423 | V | 87.1 | Confident | 66.4 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.6 | -174.7 | -168.1 | 0 | 0 | 0 | 0 | 110.9 | L356 W357 V358 F374 C406 M409 L421 | L356-V423 HydrophobicContact CB-CG1 4.21Å; L356-V423 HydrophobicContact CD1-CG1 3.87Å; W357-V423 WeakPolarHBondContact O-CA 3.44Å; V358-V423 HydrophobicContact CG1-CG2 4.27Å; V358-V423 HydrophobicContact CG2-CG1 4.15Å; V358-V423 HydrophobicContact CG2-CG2 4.23Å; F374-V423 HydrophobicContact CZ-CG2 4.3Å; C406-V423 HydrophobicContact CB-CG1 4.25Å; M409-V423 HydrophobicContact CB-CG2 3.96Å; L421-V423 HydrophobicContact CB-CG2 4.2Å |
| 424 | D | 85.4 | Confident | 64.4 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 166.2 | 175.1 | -170.5 | 29.6 | 0 | 0 | 0 | 111.4 | S273 L323 L356 W357 A426 | S273-D424 WeakPolarHBondContact CB-OD2 3.38Å; S273-D424 PolarHBondContact N-OD2 2.86Å; S273-D424 PolarHBondContact OG-OD2 3.42Å; L323-D424 HydrophobicContact CB-CB 4.14Å; L323-D424 HydrophobicContact CD1-CB 3.79Å; L356-D424 WeakPolarHBondContact CA-O 3.48Å; W357-D424 PolarHBondContact N-O 2.88Å; W357-D424 PolarHBondContact O-N 3.15Å; D424-A426 PolarHBondContact O-N 3.42Å |
| 425 | F | 87.1 | Confident | 62.9 | Low | 27 Ų | 27 | 80.1 Ų | 80.1 | 12% | 0.118 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 113 | 179.5 | -66.2 | -74.2 | 0 | 0 | 0 | 112.1 | A350 N351 P352 T353 L356 Q403 C406 | A350-F425 HydrophobicContact CB-CD2 3.92Å; N351-F425 WeakPolarHBondContact O-CB 3.5Å; P352-F425 HydrophobicContact CB-CD1 4.33Å; P352-F425 HydrophobicContact CB-CE1 3.96Å; P352-F425 HydrophobicContact CB-CE2 4.24Å; P352-F425 HydrophobicContact CB-CZ 3.91Å; T353-F425 WeakPolarHBondContact O-CD1 3.12Å; T353-F425 WeakPolarHBondContact OG1-CB 3.38Å; L356-F425 HydrophobicContact CD2-CD1 3.46Å; L356-F425 VanDerWaalsContact CD2-CD1 3.46Å; L356-F425 HydrophobicContact CD2-CE1 3.62Å; L356-F425 HydrophobicContact CD2-CG 4.29Å; Q403-F425 HydrophobicContact CB-CZ 4.48Å; Q403-F425 HydrophobicContact CG-CE1 4.15Å; Q403-F425 HydrophobicContact CG-CZ 3.88Å; C406-F425 HydrophobicContact CB-CE1 4Å; C406-F425 HydrophobicContact CB-CE2 4.05Å; C406-F425 HydrophobicContact CB-CZ 3.62Å; C406-F425 VanDerWaalsContact SG-CE2 3.6Å |
| 426 | A | 83.3 | Confident | 61.7 | Low | 5 Ų | 5 | 86.5 Ų | 86.5 | 4% | 0.041 | 44% | 0.444 | C | S | . | . | trans | -80.8 | 154.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T353 R355 W357 Y393 D424 V428 | T353-A426 WeakPolarHBondContact CB-O 3.3Å; T353-A426 WeakPolarHBondContact CG2-O 3.33Å; T353-A426 PolarHBondContact OG1-O 3.05Å; R355-A426 HydrophobicContact CB-CB 4.47Å; R355-A426 HydrophobicContact CG-CB 4.13Å; R355-A426 WeakPolarHBondContact O-CA 3.27Å; R355-A426 WeakPolarHBondContact O-CB 3.35Å; R355-A426 PolarHBondContact O-N 2.61Å; W357-A426 HydrophobicContact CB-CB 4.15Å; Y393-A426 HydrophobicContact CD1-CB 3.88Å; Y393-A426 HydrophobicContact CE1-CB 4.04Å; D424-A426 PolarHBondContact O-N 3.42Å; A426-V428 PolarHBondContact O-N 2.86Å | ||
| 427 | K | 76.2 | Confident | 60.6 | Low | 109 Ų | 109 | 90.4 Ų | 90.4 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | trans | -66 | 134.5 | 167.3 | -174.4 | -176.9 | 172 | -161 | 0 | 108.6 | E429 | K427-E429 PolarHBondContact O-N 3.07Å; K427-E429 VanDerWaalsContact O-N 3.09Å | ||
| 428 | V | 68.3 | Low | 59.9 | Low | 50 Ų | 50 | 91.7 Ų | 91.7 | 30% | 0.303 | 47% | 0.473 | S | S | . | . | trans | -73.2 | 99.7 | 165 | -177.6 | 0 | 0 | 0 | 0 | 106.6 | R355 A426 | R355-V428 HydrophobicContact CB-CG2 3.89Å; A426-V428 PolarHBondContact O-N 2.86Å | ||
| 429 | E | 57.3 | Low | 59.1 | Low | 115 Ų | 115 | 87.1 Ų | 87.1 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | trans | -76.5 | 116.1 | 160.5 | -64.7 | -156.2 | 129.2 | 0 | 0 | 108.5 | K427 S431 | K427-E429 PolarHBondContact O-N 3.07Å; K427-E429 VanDerWaalsContact O-N 3.09Å; E429-S431 VanDerWaalsContact C-N 3.27Å; E429-S431 PolarHBondContact O-N 2.68Å; E429-S431 VanDerWaalsContact O-N 3.09Å | ||
| 430 | E | 41.4 | Very low | 57.4 | Low | 170 Ų | 170 | 95 Ų | 95 | 79% | 0.794 | 50% | 0.497 | S | S | * | . | trans | -74 | 87.4 | 160.7 | -68.1 | 177.3 | 139.7 | 0 | 0 | 107 | P432 | E430-P432 WeakPolarHBondContact O-CD 3.07Š| ||
| 431 | S | 33 | Very low | 55.1 | Low | 71 Ų | 71 | 98.5 Ų | 98.5 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | trans | -112.8 | 74.3 | -177.7 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | E429 S433 | E429-S431 VanDerWaalsContact C-N 3.27Å; E429-S431 PolarHBondContact O-N 2.68Å; E429-S431 VanDerWaalsContact O-N 3.09Å; S431-S433 PolarHBondContact O-N 2.76Å | ||
| 432 | P | 41.8 | Very low | 52.7 | Low | 112 Ų | 112 | 103.4 Ų | 103.4 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -67.2 | 113.9 | 152.3 | 30.6 | -28.6 | 0 | 0 | 0 | 107.4 | E430 | E430-P432 WeakPolarHBondContact O-CD 3.07Š|
| 433 | S | 32.2 | Very low | 50.5 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 69.5 | 144.4 | -169 | 82.5 | 0 | 0 | 0 | 0 | 116 | S431 | S431-S433 PolarHBondContact O-N 2.76Š|
| 434 | R | 34.8 | Very low | 48.1 | Very low | 223 Ų | 223 | 114.2 Ų | 114.2 | 84% | 0.842 | 62% | 0.616 | S | S | * | * | trans | -107.5 | 116.4 | 171.5 | -174.6 | -166.6 | -153.7 | -163 | 10.5 | 106.6 | F436 | R434-F436 PolarHBondContact O-N 3.42Š| ||
| 435 | P | 37.7 | Very low | 45.5 | Very low | 117 Ų | 117 | 118.6 Ų | 118.6 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.4 | 171.6 | -22.9 | 33.9 | 0 | 0 | 0 | 109.6 | ||
| 436 | F | 34 | Very low | 42.8 | Very low | 192 Ų | 192 | 125.1 Ų | 125.1 | 84% | 0.842 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 151.2 | 169.9 | -82.2 | -101.7 | 0 | 0 | 0 | 109.8 | R434 | R434-F436 PolarHBondContact O-N 3.42Š|
| 437 | P | 39.4 | Very low | 40 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59 | 143.9 | 168.4 | 27.4 | -34.4 | 0 | 0 | 0 | 109.9 | G439 | P437-G439 PolarHBondContact O-N 3.43Š|
| 438 | P | 45.4 | Very low | 37.9 | Very low | 143 Ų | 143 | 129 Ų | 129 | 93% | 0.929 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -72.5 | 97.6 | -171.2 | 28.9 | -35.1 | 0 | 0 | 0 | 111.2 | ||
| 439 | G | 43.4 | Very low | 36.2 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | trans | 159.2 | 46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | P437 | P437-G439 PolarHBondContact O-N 3.43Š| ||
| 440 | Y | 32.8 | Very low | 34.9 | Very low | 238 Ų | 238 | 138.9 Ų | 138.9 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | trans | -164.7 | 125.2 | 150.9 | -110.2 | -74 | 0 | 0 | 0 | 109.4 | ||||
| 441 | Q | 31 | Very low | 34.4 | Very low | 175 Ų | 175 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -120 | 111.9 | 178.2 | -175.9 | 178.2 | 13.1 | 0 | 0 | 109.2 | ||||
| 442 | P | 33.4 | Very low | 34.5 | Very low | 103 Ų | 103 | 141.8 Ų | 141.8 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74 | 148.2 | 168.1 | 31.4 | -32.8 | 0 | 0 | 0 | 110 | ||
| 443 | P | 35.6 | Very low | 34.1 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.4 | 176.6 | 29 | -34.4 | 0 | 0 | 0 | 111.2 | A445 | P443-A445 PolarHBondContact O-N 3.24Š|
| 444 | I | 36.6 | Very low | 33.8 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 116.2 | 177.6 | -62.6 | 172 | 0 | 0 | 0 | 109 | L446 | I444-L446 HydrophobicContact CG2-CD2 4.28Å; I444-L446 PolarHBondContact O-N 3.3Å |
| 445 | A | 31.4 | Very low | 33.4 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 118.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | P443 | P443-A445 PolarHBondContact O-N 3.24Š|
| 446 | L | 29.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.7 | 171.2 | -65.5 | 174.4 | 0 | 0 | 0 | 109 | I444 | I444-L446 HydrophobicContact CG2-CD2 4.28Å; I444-L446 PolarHBondContact O-N 3.3Å |
| 447 | S | 25.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 130.6 | 167.8 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 448 | A | 31.3 | Very low | 32.3 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 449 | H | 32.2 | Very low | 31.5 | Very low | 191 Ų | 191 | 146 Ų | 146 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -107.7 | 122.1 | 148.9 | -100.7 | -86.7 | 0 | 0 | 0 | 107.5 | ||||
| 450 | Y | 29.3 | Very low | 31 | Very low | 182 Ų | 182 | 151.8 Ų | 151.8 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -77.3 | 137.5 | 162.9 | -94.4 | -94.8 | 0 | 0 | 0 | 108.5 | L452 | Y450-L452 HydrophobicContact CD1-CD1 3.81Å; Y450-L452 HydrophobicContact CD1-CG 3.9Å; Y450-L452 HydrophobicContact CE1-CD1 3.74Å; Y450-L452 HydrophobicContact CE1-CG 4.1Å | ||
| 451 | D | 31.4 | Very low | 30.7 | Very low | 173 Ų | 173 | 151.8 Ų | 151.8 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | -134.3 | 137.3 | 129.2 | -100.6 | -44.5 | 0 | 0 | 0 | 108.1 | |||||
| 452 | L | 34.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | trans | -114.9 | 142.9 | -176 | -100.9 | 166.6 | 0 | 0 | 0 | 109 | Y450 | Y450-L452 HydrophobicContact CD1-CD1 3.81Å; Y450-L452 HydrophobicContact CD1-CG 3.9Å; Y450-L452 HydrophobicContact CE1-CD1 3.74Å; Y450-L452 HydrophobicContact CE1-CG 4.1Å | ||
| 453 | L | 33.8 | Very low | 30.4 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | 154 | 140.7 | 136 | -81.6 | 162.6 | 0 | 0 | 0 | 109.6 | ||||
| 454 | G | 26.4 | Very low | 30.2 | Very low | 63 Ų | 63 | 149.5 Ų | 149.5 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 160.1 | 98.5 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 455 | E | 27 | Very low | 29.8 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -146.4 | 113 | 158.8 | -97.8 | 168.3 | -166.4 | 0 | 0 | 105.7 | ||||
| 456 | A | 26.2 | Very low | 30 | Very low | 82 Ų | 82 | 152.7 Ų | 152.7 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | 62 | 80.3 | 54 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 457 | Y | 30.7 | Very low | 30.1 | Very low | 235 Ų | 235 | 152.1 Ų | 152.1 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | -155.6 | 132 | 125 | -100.1 | -62.3 | 0 | 0 | 0 | 113 | |||||
| 458 | S | 29.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 157.8 Ų | 157.8 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -76.5 | 141.5 | -177.1 | -45.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 459 | R | 28.8 | Very low | 30.3 | Very low | 239 Ų | 239 | 158 Ų | 158 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | -171.2 | 134.1 | 116.9 | -106.4 | 162.1 | -75.6 | -161.8 | 0.7 | 114 | |||||
| 460 | H | 32.9 | Very low | 30 | Very low | 185 Ų | 185 | 152.1 Ų | 152.1 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -86.8 | 129.2 | 166.1 | -122.6 | -95.1 | 0 | 0 | 0 | 109.8 | ||||
| 461 | R | 28 | Very low | 30 | Very low | 238 Ų | 238 | 155.2 Ų | 155.2 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -144.5 | 107.2 | 149.9 | -89.8 | -168.8 | 168.3 | 174.3 | -4.4 | 106 | ||||
| 462 | S | 26.7 | Very low | 29.8 | Very low | 77 Ų | 77 | 154.4 Ų | 154.4 | 54% | 0.538 | 77% | 0.772 | S | S | . | * | 83.1 | 115.1 | 55.6 | 76 | 0 | 0 | 0 | 0 | 113 | |||||
| 463 | L | 30.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 159 Ų | 159 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 149.6 | 158.1 | -55.4 | 177.3 | 0 | 0 | 0 | 114.6 | ||||
| 464 | E | 31.3 | Very low | 29.3 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 58% | 0.584 | 78% | 0.775 | S | S | * | * | cis | -160.2 | 166.8 | 8.5 | -135.1 | 176.4 | 144.6 | 0 | 0 | 112.5 | ||||
| 465 | R | 29.2 | Very low | 30 | Very low | 176 Ų | 176 | 158.9 Ų | 158.9 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | 56.2 | 141.1 | 132.4 | -154.5 | 171.6 | -71 | -105.5 | 12.7 | 120.4 | ||||
| 466 | E | 34.1 | Very low | 31.3 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 61% | 0.607 | 77% | 0.772 | S | S | * | * | cis | -144.6 | 151.3 | -7.9 | -122.9 | 142.9 | -155.2 | 0 | 0 | 106.3 | ||||
| 467 | L | 32.5 | Very low | 32.1 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | cis | 81 | 135.8 | 38 | -100.9 | 175.9 | 0 | 0 | 0 | 116.9 | ||||
| 468 | R | 32.8 | Very low | 31.8 | Very low | 235 Ų | 235 | 152.9 Ų | 152.9 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | 75.7 | 138 | 177.7 | -49.1 | 175.9 | -175.2 | -154.1 | -1.2 | 114.5 | ||||
| 469 | G | 28.8 | Very low | 31.7 | Very low | 85 Ų | 85 | 152.5 Ų | 152.5 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | cis | 170.8 | 163.1 | -4.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 470 | G | 26.4 | Very low | 31.8 | Very low | 67 Ų | 67 | 148.9 Ų | 148.9 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | cis | 163.4 | -177.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 471 | R | 28.7 | Very low | 31.6 | Very low | 247 Ų | 247 | 147.7 Ų | 147.7 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | 76.5 | 139.4 | -173.1 | -59.5 | -179.2 | 176.9 | -171.2 | -1.3 | 114.6 | ||||
| 472 | E | 27 | Very low | 31.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | cis | -162.2 | 173.3 | -19.3 | -147.6 | -174.3 | -106.3 | 0 | 0 | 111 | ||||
| 473 | R | 30.3 | Very low | 31.5 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 82.2 | 134.9 | 166.6 | -62.7 | -175.7 | 177.1 | -166 | -4.7 | 118.9 | ||||
| 474 | S | 27 | Very low | 31.3 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -126.6 | 170.4 | -170.8 | -60.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 475 | P | 41.8 | Very low | 30.9 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -132.7 | -135.8 | -42.4 | 43.3 | -25 | 0 | 0 | 0 | 110 | ||||
| 476 | P | 54.1 | Low | 30.7 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -99 | -170.1 | -159.6 | 45.9 | -37.5 | 0 | 0 | 0 | 113.9 | ||||
| 477 | P | 42.7 | Very low | 30.5 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | -155.9 | 156.3 | 90.3 | 41 | -21.4 | 0 | 0 | 0 | 119.4 | |||||
| 478 | H | 26.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 149 Ų | 149 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 35 | 130.2 | 135.8 | -67.5 | -73.9 | 0 | 0 | 0 | 125.7 | ||||
| 479 | S | 26.6 | Very low | 30.1 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | 80.7 | 105 | 125 | -63.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 480 | L | 31.1 | Very low | 30 | Very low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | 51.4 | 111.2 | 123 | -58.6 | 179 | 0 | 0 | 0 | 120.6 | |||||
| 481 | L | 28.7 | Very low | 30 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -121.7 | 121.2 | 141 | -65.3 | 173.1 | 0 | 0 | 0 | 106 | ||||
| 482 | S | 25.6 | Very low | 29.9 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | 48.9 | 89.1 | 69.9 | 79.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 483 | L | 26.5 | Very low | 29.9 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | 71.3 | 130.2 | 90.6 | -178.4 | 75.8 | 0 | 0 | 0 | 111.5 | |||||
| 484 | R | 25.7 | Very low | 29.7 | Very low | 215 Ų | 215 | 138.4 Ų | 138.4 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | 68.3 | 159.5 | 176.8 | -108.3 | -179.6 | 170.8 | 156.8 | -2.7 | 111.3 | ||||
| 485 | E | 24.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 51% | 0.514 | 72% | 0.721 | S | S | . | * | cis | -130.3 | 150.8 | 7 | -111.9 | -163.5 | 152.2 | 0 | 0 | 111 | ||||
| 486 | R | 24.8 | Very low | 29.5 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | 73.3 | 149.6 | 101 | -159 | -163.3 | -73 | -172.3 | 1.2 | 113.9 | |||||
| 487 | E | 30.1 | Very low | 28.1 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 60% | 0.598 | 72% | 0.719 | S | S | * | * | trans | 94.5 | 142.3 | 166.3 | -55.7 | -153.1 | 147.1 | 0 | 0 | 116.8 | ||||
| 488 | R | 30.5 | Very low | 27.3 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | cis | -147.1 | 150.3 | -3 | -132.2 | 163.4 | 176 | 145.8 | -12.5 | 111.2 | ||||
| 489 | G | 26.5 | Very low | 28.3 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | -130.9 | 123.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 490 | L | 26.3 | Very low | 28.2 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | trans | -143.2 | 130.2 | 167 | -70.1 | 178.6 | 0 | 0 | 0 | 104.5 | ||||
| 491 | L | 26.6 | Very low | 28.1 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | 59.3 | 133.7 | 78.1 | -57.5 | -176.6 | 0 | 0 | 0 | 111.3 | |||||
| 492 | E | 25.4 | Very low | 27.9 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | cis | -157.9 | 155.9 | 35.5 | -141.8 | -177.4 | 127.6 | 0 | 0 | 115 | ||||
| 493 | R | 26.8 | Very low | 28 | Very low | 195 Ų | 195 | 144 Ų | 144 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 58.1 | 119.3 | 147.8 | -87.2 | -177.2 | 165.6 | 124.2 | -8.7 | 125.5 | ||||
| 494 | D | 26.3 | Very low | 28.2 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 63% | 0.626 | 72% | 0.718 | S | S | * | * | 63.5 | 102.9 | 116.5 | -59.1 | -1.9 | 0 | 0 | 0 | 124.3 | |||||
| 495 | F | 26 | Very low | 28.5 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 85% | 0.851 | 71% | 0.712 | S | S | * | * | trans | 62.2 | 161.2 | 136.7 | -72.9 | -81.1 | 0 | 0 | 0 | 121.1 | ||||
| 496 | P | 38.3 | Very low | 28.8 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | cis | -127.4 | -159.3 | -10.8 | 39.8 | -21.5 | 0 | 0 | 0 | 113.7 | ||||
| 497 | S | 25.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 68.6 | 111.6 | 152 | 58.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 498 | S | 26.5 | Very low | 29.1 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -71.1 | 171.4 | 135.1 | -33.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 499 | P | 46.6 | Very low | 29 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | cis | -144.7 | -146.9 | 16.8 | 42.7 | -20 | 0 | 0 | 0 | 114.5 | ||||
| 500 | T | 25.9 | Very low | 29.2 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | 81.9 | 150.9 | 173.7 | 81.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 501 | R | 27.1 | Very low | 29.4 | Very low | 234 Ų | 234 | 140.9 Ų | 140.9 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | cis | -143.9 | 145.6 | -1.9 | -143.5 | 168 | -177.4 | 179.4 | -0.7 | 112.1 | ||||
| 502 | S | 26.2 | Very low | 29.7 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -69.2 | 157.9 | 176.1 | 52.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 503 | L | 26.5 | Very low | 29.8 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | -152.9 | 104.8 | 141.9 | -159.9 | 70.2 | 0 | 0 | 0 | 114.5 | ||||
| 504 | E | 31.1 | Very low | 29.7 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | 62.9 | 164.8 | 149 | -60.3 | -176.3 | -172.3 | 0 | 0 | 119.6 | ||||
| 505 | R | 31.9 | Very low | 29.8 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 68% | 0.683 | 77% | 0.768 | S | S | * | * | cis | -154 | 127 | 18.1 | -167 | 164.3 | -87.7 | -164.7 | -4.8 | 115 | ||||
| 506 | R | 30.9 | Very low | 29.9 | Very low | 220 Ų | 220 | 136.6 Ų | 136.6 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 61.9 | 156.2 | 156.8 | -67.7 | 174.7 | -176.8 | -177.7 | -1.5 | 118.3 | ||||
| 507 | V | 30.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | cis | -156 | 131.3 | -20.3 | 126.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 508 | G | 29.2 | Very low | 29.6 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | 77.7 | 133.7 | 86.7 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 509 | G | 28.8 | Very low | 29.7 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | cis | -168.5 | -164.2 | 0.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 510 | V | 30.5 | Very low | 29 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | cis | -165.5 | 159 | -3.7 | 106.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 511 | E | 32.2 | Very low | 29.1 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 69.4 | 148.4 | 162.9 | -85.7 | 159.5 | -141.1 | 0 | 0 | 121.3 | ||||
| 512 | A | 31.6 | Very low | 29.1 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 60% | 0.595 | 79% | 0.791 | S | S | * | * | cis | -158.1 | 162.5 | -15 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 513 | F | 28.2 | Very low | 29.2 | Very low | 210 Ų | 210 | 147.4 Ų | 147.4 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | 21.8 | 150.1 | 158.3 | -55.3 | -74.1 | 0 | 0 | 0 | 123 | ||||
| 514 | G | 25.3 | Very low | 29.7 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | 161.5 | 163.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 515 | R | 27.9 | Very low | 29.7 | Very low | 240 Ų | 240 | 147.9 Ų | 147.9 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | trans | 56.9 | 105.9 | 162.6 | -73.2 | -170.6 | 177.3 | -134.9 | 0.5 | 121.7 | ||||
| 516 | S | 27.8 | Very low | 29.9 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | 43.4 | 121.5 | 125.3 | 65.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 517 | G | 27.3 | Very low | 30.1 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | 116.2 | 131.8 | 128.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 518 | R | 30.3 | Very low | 30.2 | Very low | 258 Ų | 258 | 143.9 Ų | 143.9 | 97% | 0.974 | 80% | 0.795 | S | S | * | * | trans | 54.6 | 102.5 | 165.9 | -62.4 | -174.3 | 178.7 | -153.4 | 0.9 | 118 | ||||
| 519 | A | 26.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -145.1 | 127.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 520 | A | 31.9 | Very low | 30.7 | Very low | 89 Ų | 89 | 157.1 Ų | 157.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -118.4 | 156.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 521 | R | 29.4 | Very low | 31 | Very low | 250 Ų | 250 | 156.3 Ų | 156.3 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | trans | 76.7 | 113.1 | -179.6 | -47.1 | 166.1 | 175 | -177.8 | -2.3 | 115.2 | ||||
| 522 | S | 26.8 | Very low | 31 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | -162.6 | 110.7 | 108.2 | -159 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 523 | R | 28.8 | Very low | 31.3 | Very low | 231 Ų | 231 | 157.8 Ų | 157.8 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | 30.5 | 114.9 | 146.8 | -71.4 | 178.8 | 161.4 | 131.2 | -4.5 | 121.4 | ||||
| 524 | S | 36.2 | Very low | 31.7 | Very low | 96 Ų | 96 | 156.3 Ų | 156.3 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -41.6 | 140.3 | 140.2 | 152.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 525 | K | 30.8 | Very low | 32.2 | Very low | 197 Ų | 197 | 158.9 Ų | 158.9 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -142 | 17.8 | 171.3 | -142.3 | 176.5 | -174.7 | -179.3 | 0 | 115.5 | ||||
| 526 | S | 35.9 | Very low | 32.4 | Very low | 97 Ų | 97 | 152 Ų | 152 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -102.6 | -36.8 | -176.8 | -174.6 | 0 | 0 | 0 | 0 | 113.9 | E528 | S526-E528 PolarHBondContact O-N 2.82Š|
| 527 | R | 35.6 | Very low | 33 | Very low | 201 Ų | 201 | 155.6 Ų | 155.6 | 76% | 0.758 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -71.2 | -27.3 | -167 | -163.9 | 175.1 | -179.1 | -164.3 | -0.3 | 115.1 | ||
| 528 | E | 33 | Very low | 33.6 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -75.5 | -30.3 | -174.2 | -65.9 | 176.9 | 130.8 | 0 | 0 | 113.4 | S526 W530 L531 K532 | S526-E528 PolarHBondContact O-N 2.82Å; E528-W530 VanDerWaalsContact C-N 3.34Å; E528-W530 PolarHBondContact O-N 2.95Å; E528-L531 PolarHBondContact O-N 3.11Å; E528-K532 PolarHBondContact O-N 2.89Å |
| 529 | R | 31 | Very low | 33.8 | Very low | 218 Ų | 218 | 152.4 Ų | 152.4 | 82% | 0.823 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -64.4 | -38.9 | -176.5 | -157.9 | 176.2 | -167.6 | -178.3 | 4.4 | 112 | ||
| 530 | W | 37 | Very low | 34.2 | Very low | 211 Ų | 211 | 155.2 Ų | 155.2 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.9 | -22 | -179 | -100.9 | 89.1 | 0 | 0 | 0 | 114.9 | E528 | E528-W530 VanDerWaalsContact C-N 3.34Å; E528-W530 PolarHBondContact O-N 2.95Å |
| 531 | L | 37 | Very low | 34.5 | Very low | 107 Ų | 107 | 162.1 Ų | 162.1 | 56% | 0.56 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -83.4 | -43.4 | 177.7 | -67.8 | 173.9 | 0 | 0 | 0 | 111.1 | E528 E533 R534 E535 | E528-L531 PolarHBondContact O-N 3.11Å; L531-E533 VanDerWaalsContact C-N 3.33Å; L531-E533 PolarHBondContact O-N 2.81Å; L531-R534 PolarHBondContact O-N 3.01Å; L531-R534 VanDerWaalsContact O-N 3.07Å; L531-E535 PolarHBondContact O-N 2.85Å |
| 532 | K | 32.6 | Very low | 34.7 | Very low | 158 Ų | 158 | 161.5 Ų | 161.5 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -60.4 | -39.5 | -177.4 | -161.7 | 170.1 | -175.5 | 176.4 | 0 | 112.9 | E528 R534 E535 E536 | E528-K532 PolarHBondContact O-N 2.89Å; K532-R534 VanDerWaalsContact C-N 3.32Å; K532-R534 PolarHBondContact O-N 3.3Å; K532-E535 PolarHBondContact O-N 2.93Å; K532-E536 PolarHBondContact O-N 3.29Å |
| 533 | E | 37.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 58% | 0.579 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -67.4 | -29.5 | 177.2 | -168.9 | 177.8 | 170.4 | 0 | 0 | 113.3 | L531 | L531-E533 VanDerWaalsContact C-N 3.33Å; L531-E533 PolarHBondContact O-N 2.81Å |
| 534 | R | 37.3 | Very low | 34.8 | Very low | 178 Ų | 178 | 160.7 Ų | 160.7 | 67% | 0.672 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.1 | -31.3 | 178.7 | -166.3 | 173.3 | -177.4 | 174.9 | -0.1 | 112.4 | L531 K532 | L531-R534 PolarHBondContact O-N 3.01Å; L531-R534 VanDerWaalsContact O-N 3.07Å; K532-R534 VanDerWaalsContact C-N 3.32Å; K532-R534 PolarHBondContact O-N 3.3Å |
| 535 | E | 34.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 161.3 Ų | 161.3 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -69.4 | -48.4 | 174.2 | -149.1 | 79.7 | -95.3 | 0 | 0 | 111.3 | L531 K532 R537 R538 T539 | L531-E535 PolarHBondContact O-N 2.85Å; K532-E535 PolarHBondContact O-N 2.93Å; E535-R537 PolarHBondContact O-N 2.91Å; E535-R537 VanDerWaalsContact O-N 3.12Å; E535-R538 PolarHBondContact O-N 2.83Å; E535-T539 PolarHBondContact O-N 3.15Å |
| 536 | E | 33.7 | Very low | 34.5 | Very low | 95 Ų | 95 | 159.5 Ų | 159.5 | 44% | 0.444 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -68.1 | -14.5 | -174.5 | -146.7 | -167.2 | -98.6 | 0 | 0 | 114 | K532 R540 | K532-E536 PolarHBondContact O-N 3.29Å; E536-R540 PolarHBondContact O-NH1 2.75Å; E536-R540 IonicContact OE2-CZ 3.21Å; E536-R540 IonicContact OE2-NH1 2.68Å; E536-R540 PolarHBondContact OE2-NH1 3.05Å; E536-R540 IonicContact OE2-NH2 2.85Å; E536-R540 PolarHBondContact OE2-NH2 3.39Å |
| 537 | R | 40.6 | Very low | 34.2 | Very low | 188 Ų | 188 | 160.9 Ų | 160.9 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -85.8 | -15.6 | 170.1 | -79.3 | -175.2 | 168 | -131.8 | -1.2 | 114 | E535 | E535-R537 PolarHBondContact O-N 2.91Å; E535-R537 VanDerWaalsContact O-N 3.12Å |
| 538 | R | 38.2 | Very low | 33.9 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -91 | -38.1 | 179.2 | -76.9 | 178.8 | 158.1 | -177.6 | -8.8 | 112.7 | E535 R541 | E535-R538 PolarHBondContact O-N 2.83Å; R538-R541 PolarHBondContact O-N 2.79Å |
| 539 | T | 34.9 | Very low | 33.7 | Very low | 93 Ų | 93 | 155.9 Ų | 155.9 | 57% | 0.571 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -64.1 | -39.7 | 177.1 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | E535 R541 R542 | E535-T539 PolarHBondContact O-N 3.15Å; T539-R541 PolarHBondContact O-N 2.98Å; T539-R542 PolarHBondContact O-N 2.88Å |
| 540 | R | 35.2 | Very low | 33.4 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 64% | 0.638 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 2.6 | 179.4 | -71.8 | -169.4 | 179.8 | 99 | -6.5 | 116.2 | E536 | E536-R540 PolarHBondContact O-NH1 2.75Å; E536-R540 IonicContact OE2-CZ 3.21Å; E536-R540 IonicContact OE2-NH1 2.68Å; E536-R540 PolarHBondContact OE2-NH1 3.05Å; E536-R540 IonicContact OE2-NH2 2.85Å; E536-R540 PolarHBondContact OE2-NH2 3.39Å |
| 541 | R | 38 | Very low | 33.7 | Very low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 6.1 | 177.7 | -74.1 | -169.7 | 173.2 | -165.8 | -2.1 | 115.1 | R538 T539 | R538-R541 PolarHBondContact O-N 2.79Å; T539-R541 PolarHBondContact O-N 2.98Å |
| 542 | R | 34.4 | Very low | 34.2 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -131.9 | 50.9 | -177.3 | -152.8 | -179.2 | -170.5 | -144.4 | 1.7 | 113.7 | T539 | T539-R542 PolarHBondContact O-N 2.88Š|
| 543 | S | 28.6 | Very low | 33.9 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -155.2 | 144 | 174.7 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 544 | R | 29.6 | Very low | 33.4 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | trans | 77.7 | 78.7 | 170.1 | -55.9 | -179.1 | -177.2 | 173.9 | -0.1 | 117.2 | ||||
| 545 | S | 30.3 | Very low | 33.3 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | -90.7 | 146.6 | 135.3 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 546 | L | 29.2 | Very low | 33.1 | Very low | 159 Ų | 159 | 150.6 Ų | 150.6 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | trans | 68.1 | 155.1 | -179 | -42.4 | 176.3 | 0 | 0 | 0 | 113.2 | ||||
| 547 | S | 30.1 | Very low | 32.9 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | cis | -130.8 | -151.3 | 11.8 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 548 | A | 29.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 149.8 Ų | 149.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -110.5 | -165.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 549 | D | 28.8 | Very low | 31.9 | Very low | 161 Ų | 161 | 153.5 Ų | 153.5 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | 100.6 | 168.8 | 159.7 | -60 | -51.1 | 0 | 0 | 0 | 121.8 | ||||
| 550 | R | 24.1 | Very low | 31.7 | Very low | 236 Ų | 236 | 153.9 Ų | 153.9 | 89% | 0.891 | 75% | 0.751 | S | S | * | * | trans | -152.6 | -179.3 | -148.1 | -102.6 | -173 | 176.8 | -175.5 | 2.2 | 108.3 | ||||
| 551 | P | 42.8 | Very low | 31.5 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | cis | -127 | -131.5 | -41.2 | 37.5 | -15.8 | 0 | 0 | 0 | 107.6 | ||||
| 552 | P | 47.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -134.3 | -166.9 | -31 | 39.5 | -19.8 | 0 | 0 | 0 | 115.5 | ||||
| 553 | E | 26.7 | Very low | 30.7 | Very low | 164 Ų | 164 | 152 Ų | 152 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | trans | 79 | 149.3 | 153.5 | -68 | -167.3 | 161.5 | 0 | 0 | 121.4 | ||||
| 554 | E | 27.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 55% | 0.551 | 76% | 0.757 | S | S | * | * | cis | -148.6 | 159.7 | -5.4 | -130.5 | -161.7 | 178.9 | 0 | 0 | 116.5 | ||||
| 555 | K | 33.7 | Very low | 31.7 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | 41.3 | 147 | 149.2 | -83 | -178.9 | -162.6 | 129.1 | 0 | 123.4 | ||||
| 556 | E | 31.1 | Very low | 31.6 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 59% | 0.589 | 76% | 0.761 | S | S | * | * | cis | -142.2 | -121.4 | -8.7 | -163.6 | -157 | 106.9 | 0 | 0 | 109.1 | ||||
| 557 | R | 30.1 | Very low | 31.5 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | cis | -158.1 | 145 | -17.5 | 179.1 | 149.7 | -71.5 | 163.8 | 3.9 | 107.1 | ||||
| 558 | G | 28.3 | Very low | 31.6 | Very low | 51 Ų | 51 | 139.4 Ų | 139.4 | 53% | 0.526 | 76% | 0.758 | S | S | . | * | cis | 175.7 | 166.6 | -16 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 559 | R | 28.4 | Very low | 31.6 | Very low | 251 Ų | 251 | 142.3 Ų | 142.3 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 158.3 | 173.5 | -59.4 | -176 | 177.9 | -162.8 | -1 | 116.9 | ||||
| 560 | S | 32 | Very low | 31.6 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | cis | -179.5 | 156.3 | -27.4 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 561 | R | 30.3 | Very low | 33 | Very low | 227 Ų | 227 | 133.1 Ų | 133.1 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | cis | -166.8 | 133.4 | -9.3 | -115.4 | 174.4 | 60.4 | 178 | -2.1 | 110.8 | ||||
| 562 | V | 29.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 36.4 | 122.9 | 137 | -178.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 563 | R | 27.1 | Very low | 31.3 | Very low | 246 Ų | 246 | 137.1 Ų | 137.1 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | 175 | 168.3 | 107 | -135.4 | 174.3 | -177 | 166.8 | -0.1 | 114.2 | |||||
| 564 | G | 26.2 | Very low | 31.2 | Very low | 58 Ų | 58 | 134.8 Ų | 134.8 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | trans | -156.6 | -164 | 161 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 565 | P | 52.9 | Low | 32.7 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | cis | -134.3 | -172 | -4 | 43.9 | -27.8 | 0 | 0 | 0 | 114.1 | ||||
| 566 | G | 28 | Very low | 32.5 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 103.9 | 131.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 567 | G | 25.8 | Very low | 32.4 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 167.7 | 144.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 568 | A | 32.7 | Very low | 32.5 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -152.2 | -176.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 569 | V | 30.3 | Very low | 32.7 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | 94.1 | 145.8 | 168 | -173.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 570 | S | 29 | Very low | 32.9 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -128.9 | 175.8 | -179 | -146.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 571 | P | 53.1 | Low | 32.6 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | cis | -148.5 | -164.9 | 20.5 | 44.3 | -21.5 | 0 | 0 | 0 | 116.7 | ||||
| 572 | E | 25.5 | Very low | 32.5 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 40.7 | 126.5 | 148.7 | -74.4 | -175.7 | 115.1 | 0 | 0 | 124.1 | ||||
| 573 | A | 28.9 | Very low | 33.5 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -152.8 | 154.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 574 | S | 25.6 | Very low | 33.5 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -158.8 | -176.2 | -173.1 | -126.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 575 | P | 58.7 | Low | 33.6 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -133.4 | -176.7 | -25.4 | 40.5 | -25.6 | 0 | 0 | 0 | 112.9 | ||||
| 576 | D | 28.4 | Very low | 32.5 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 64% | 0.642 | 77% | 0.769 | S | S | * | * | -157.3 | 156.6 | 126.7 | -150.9 | -6.4 | 0 | 0 | 0 | 112.7 | |||||
| 577 | R | 29.3 | Very low | 32.6 | Very low | 203 Ų | 203 | 129.3 Ų | 129.3 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | trans | 17 | 116.4 | 163 | -82.4 | 158.5 | -178.1 | 90.2 | -5 | 119.8 | ||||
| 578 | A | 33.3 | Very low | 32.8 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | 94.2 | 146.8 | 67.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 579 | R | 31.3 | Very low | 33.2 | Very low | 223 Ų | 223 | 134.3 Ų | 134.3 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | cis | -164.5 | 151.1 | 6.5 | -127.9 | 177 | -174.6 | -167.7 | 2.8 | 109.6 | ||||
| 580 | V | 32.3 | Very low | 33 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | 63.4 | 134.7 | 144.6 | 165 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 581 | R | 25.9 | Very low | 33 | Very low | 235 Ų | 235 | 138.1 Ų | 138.1 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | cis | -148.3 | 160.9 | 10.2 | -140 | 168.4 | -171.2 | 138.2 | -1.4 | 111.3 | ||||
| 582 | A | 28.9 | Very low | 31.7 | Very low | 82 Ų | 82 | 142.2 Ų | 142.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -130.7 | -170.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 583 | P | 51.3 | Low | 32 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | cis | -115.4 | -134.2 | -13.2 | 25.3 | 1 | 0 | 0 | 0 | 108.2 | ||||
| 584 | D | 25.9 | Very low | 32.9 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -157.3 | -147.7 | -0.9 | -146.4 | -44.8 | 0 | 0 | 0 | 112.1 | ||||
| 585 | S | 29.3 | Very low | 32.9 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | trans | -138.5 | -173 | -153.5 | -40.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 586 | T | 28.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 101.5 | 132.6 | 151.8 | 75.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 587 | T | 30.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | trans | 59.4 | 128.2 | 144.2 | 36.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 588 | E | 31.1 | Very low | 31.5 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -70.8 | 169.4 | 144.6 | -61.9 | -165.8 | 166.7 | 0 | 0 | 110.6 | ||||
| 589 | P | 40 | Very low | 31.2 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | cis | -149.1 | -176.4 | 23.6 | 44.4 | -23.6 | 0 | 0 | 0 | 118.7 | ||||
| 590 | R | 25.9 | Very low | 31 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | 54.6 | 133.6 | 143.1 | -87.2 | -173.7 | 145.8 | 136.6 | 2.8 | 123.3 | ||||
| 591 | D | 28.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | trans | 51.5 | 117.8 | 134.9 | -49.2 | -28.7 | 0 | 0 | 0 | 119.9 | ||||
| 592 | H | 27.8 | Very low | 32.5 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | 176.9 | 146.8 | 112.9 | -94.6 | 74.9 | 0 | 0 | 0 | 112.4 | |||||
| 593 | S | 31.4 | Very low | 32.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -107.9 | 163.3 | 158.2 | -46.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 594 | P | 47.1 | Very low | 31.5 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -156.4 | 164.4 | 83.5 | 40.5 | -20.7 | 0 | 0 | 0 | 118.6 | |||||
| 595 | D | 26.7 | Very low | 31.8 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 45.5 | 131.1 | 137.6 | -163.7 | 27.5 | 0 | 0 | 0 | 124 | ||||
| 596 | S | 29.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -178.6 | 125.4 | 134.3 | -81.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 597 | G | 28.2 | Very low | 31.8 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 82.6 | 129.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 598 | A | 27.8 | Very low | 31.6 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | cis | 62.3 | 126.9 | 19.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 599 | G | 27.8 | Very low | 31.5 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | cis | 128.4 | 122.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 600 | R | 27.7 | Very low | 31.7 | Very low | 249 Ų | 249 | 141.6 Ų | 141.6 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | trans | -164.3 | 161.4 | 169.6 | -121.4 | 172.5 | -177.2 | -177.1 | -0.8 | 116.9 | ||||
| 601 | H | 36.3 | Very low | 31.8 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -107.4 | -165.6 | 177.9 | -64.4 | -84.6 | 0 | 0 | 0 | 109.4 | ||||
| 602 | P | 51.4 | Low | 31.7 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | cis | -151 | -169.2 | 17.8 | 46.7 | -23.1 | 0 | 0 | 0 | 120.6 | ||||
| 603 | A | 32 | Very low | 31.6 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -80.4 | 173.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 604 | T | 28.9 | Very low | 31.5 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -156.9 | 131.2 | 143.2 | 23.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 605 | N | 31.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | 71.3 | 134.5 | 88.4 | -94.9 | 51.8 | 0 | 0 | 0 | 113.5 | |||||
| 606 | E | 28.9 | Very low | 30.5 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | cis | -150.1 | 164.5 | 21.3 | -59 | -164.4 | 124.7 | 0 | 0 | 116.6 | ||||
| 607 | E | 29.2 | Very low | 30.4 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 57.1 | 143 | 145 | -76.3 | -163.2 | 152 | 0 | 0 | 129.8 | ||||
| 608 | E | 25.8 | Very low | 30.2 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | 74.8 | 160.8 | 144.7 | -71 | -113.3 | 93.7 | 0 | 0 | 124.8 | ||||
| 609 | L | 29.1 | Very low | 30 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -117.9 | -172.3 | -168.1 | -81.3 | 168.6 | 0 | 0 | 0 | 109.3 | ||||
| 610 | P | 45.4 | Very low | 29.8 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | cis | -135.2 | -166.5 | 7.7 | 43.2 | -23.6 | 0 | 0 | 0 | 115.3 | ||||
| 611 | A | 26.9 | Very low | 29.8 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -98.8 | 158 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 612 | S | 26.9 | Very low | 29.5 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | 175.5 | 148.7 | 123 | 56.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 613 | R | 25.5 | Very low | 28.4 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | 69.2 | 129.3 | 134.4 | -79.9 | 173.8 | 173.4 | -166.7 | -2.5 | 125 | ||||
| 614 | H | 29.1 | Very low | 28.4 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | trans | 84.1 | 107.6 | 130.1 | -67.6 | -36.6 | 0 | 0 | 0 | 124.4 | ||||
| 615 | H | 27.9 | Very low | 28.4 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | 57.3 | 127.8 | 115.4 | -80.9 | -40.3 | 0 | 0 | 0 | 124.6 | |||||
| 616 | S | 24.6 | Very low | 28.4 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | 105 | 125.3 | 121 | 74.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 617 | K | 27.5 | Very low | 28.5 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | 162.7 | 128.2 | 130.6 | -85.4 | 158.3 | -174.5 | 178.2 | 0 | 107.5 | ||||
| 618 | R | 23.6 | Very low | 28.7 | Very low | 231 Ų | 231 | 142.1 Ų | 142.1 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | 57.5 | 115.7 | 63.2 | -93.7 | -166.4 | 169.9 | -146.1 | -3.8 | 112.5 | |||||
| 619 | S | 23.2 | Very low | 28.8 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | 83.3 | 137.1 | 86.9 | -160.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 620 | S | 24.8 | Very low | 28.6 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | cis | -155.2 | 157.6 | 12.1 | -155.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 621 | S | 28.1 | Very low | 27.8 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | 46.7 | 164 | 134.1 | 64.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 622 | D | 28.3 | Very low | 27.8 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | trans | 78.3 | 143.1 | 159.3 | -46.3 | -57.1 | 0 | 0 | 0 | 117.9 | ||||
| 623 | H | 29.8 | Very low | 27.9 | Very low | 182 Ų | 182 | 147 Ų | 147 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | cis | -147.2 | -176.4 | 32.2 | -88.1 | -76 | 0 | 0 | 0 | 115.9 | ||||
| 624 | L | 31.3 | Very low | 28.3 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -100.1 | 158.6 | -178.5 | -53 | 114.6 | 0 | 0 | 0 | 115.1 | ||||
| 625 | N | 28.8 | Very low | 28.2 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | -176.2 | 137.9 | 128.5 | -101.8 | -32.8 | 0 | 0 | 0 | 110.8 | |||||
| 626 | N | 30.8 | Very low | 28.4 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | 54.5 | 138.6 | 89.1 | -70 | -23.2 | 0 | 0 | 0 | 114.7 | |||||
| 627 | H | 32.4 | Very low | 28.5 | Very low | 144 Ų | 144 | 136.3 Ų | 136.3 | 67% | 0.667 | 77% | 0.771 | S | S | * | * | cis | -160.4 | -175.6 | 4.1 | -114.2 | 5.8 | 0 | 0 | 0 | 107.5 | ||||
| 628 | H | 32 | Very low | 28.6 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | cis | -164 | 164.6 | 10.8 | -131.4 | 0.8 | 0 | 0 | 0 | 110.7 | ||||
| 629 | H | 29.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 128 Ų | 128 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 30 | 157.1 | 137.4 | -71.4 | -27.6 | 0 | 0 | 0 | 124.9 | ||||
| 630 | R | 24.5 | Very low | 30 | Very low | 219 Ų | 219 | 127.8 Ų | 127.8 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | cis | -176.4 | 149.2 | -6.8 | 157.5 | 175.8 | 176.5 | 177.4 | 0.4 | 113.1 | ||||
| 631 | A | 28.1 | Very low | 30.6 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 73.1 | 166.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 632 | E | 26.8 | Very low | 31 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -85 | 160.9 | -161.5 | -52.7 | 155.3 | 101.1 | 0 | 0 | 115.5 | ||||
| 633 | A | 28.8 | Very low | 31.6 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -152.9 | 144.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 634 | A | 33.8 | Very low | 32.5 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | trans | -94.4 | 144 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 635 | G | 27.9 | Very low | 33.6 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -162.5 | 133.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 636 | A | 31.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -103.5 | 128.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 637 | A | 26.7 | Very low | 36.9 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -163.3 | 149.1 | 155 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 638 | S | 30.5 | Very low | 38.6 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -150.4 | 161 | 162.7 | -60 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 639 | P | 46.5 | Very low | 40.9 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | cis | -117.9 | 165.9 | -9.3 | 39 | -26.6 | 0 | 0 | 0 | 112.8 | ||||
| 640 | A | 28.9 | Very low | 43.4 | Very low | 100 Ų | 100 | 104.6 Ų | 104.6 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -131.6 | 140.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | D642 | A640-D642 PolarHBondContact O-N 3.06Š| ||
| 641 | A | 38.2 | Very low | 46 | Very low | 107 Ų | 107 | 95.4 Ų | 95.4 | 88% | 0.884 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121.9 | -165 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 642 | D | 35.2 | Very low | 48.6 | Very low | 160 Ų | 160 | 95.5 Ų | 95.5 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 129.9 | 161.7 | -106.2 | -36.1 | 0 | 0 | 0 | 109.6 | A640 | A640-D642 PolarHBondContact O-N 3.06Š|
| 643 | A | 41.3 | Very low | 51.3 | Low | 84 Ų | 84 | 87.2 Ų | 87.2 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 132.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | A645 | A643-A645 PolarHBondContact O-N 2.8Å; A643-A645 VanDerWaalsContact O-N 3.16Å |
| 644 | P | 48.6 | Very low | 53.8 | Low | 128 Ų | 128 | 82.3 Ų | 82.3 | 83% | 0.831 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.1 | -180 | 25.6 | -33.3 | 0 | 0 | 0 | 110.1 | S646 | P644-S646 PolarHBondContact O-N 3.37Š|
| 645 | A | 55 | Low | 56.1 | Low | 93 Ų | 93 | 83.7 Ų | 83.7 | 77% | 0.769 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 137.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A643 | A643-A645 PolarHBondContact O-N 2.8Å; A643-A645 VanDerWaalsContact O-N 3.16Å |
| 646 | S | 59.2 | Low | 58.5 | Low | 100 Ų | 100 | 83.3 Ų | 83.3 | 70% | 0.699 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.3 | 175.8 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | P644 S648 | P644-S646 PolarHBondContact O-N 3.37Å; S646-S648 PolarHBondContact O-N 3.17Å; S646-S648 VanDerWaalsContact O-N 3.15Å |
| 647 | P | 69.2 | Low | 60.8 | Low | 36 Ų | 36 | 81.2 Ų | 81.2 | 23% | 0.234 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -62.5 | 120.1 | -174.4 | 24 | -32.9 | 0 | 0 | 0 | 110.3 | T649 E652 F653 T807 | P647-T649 PolarHBondContact O-N 2.84Å; P647-E652 HydrophobicContact CB-CB 3.76Å; P647-F653 HydrophobicContact CB-CB 4.11Å; P647-F653 HydrophobicContact CG-CB 3.94Å; P647-F653 HydrophobicContact CG-CD2 4.14Å; P647-T807 HydrophobicContact CG-CG2 3.86Å |
| 648 | S | 69.1 | Low | 63.5 | Low | 85 Ų | 85 | 78.1 Ų | 78.1 | 59% | 0.594 | 53% | 0.533 | S | S | * | . | trans | -70.1 | -26.8 | -178.9 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | S646 E652 | S646-S648 PolarHBondContact O-N 3.17Å; S646-S648 VanDerWaalsContact O-N 3.15Å; S648-E652 WeakPolarHBondContact CA-OE2 3.4Å; S648-E652 WeakPolarHBondContact CB-OE2 3.34Å; S648-E652 PolarHBondContact N-OE2 3.37Å; S648-E652 PolarHBondContact OG-OE2 2.83Å | ||
| 649 | T | 80 | Confident | 66.1 | Low | 47 Ų | 47 | 76 Ų | 76 | 29% | 0.288 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -128 | 145.5 | -164.4 | -62.1 | 0 | 0 | 0 | 0 | 110.7 | P647 S651 E652 F653 E813 | P647-T649 PolarHBondContact O-N 2.84Å; T649-S651 VanDerWaalsContact C-N 3.25Å; T649-S651 PolarHBondContact O-N 3.02Å; T649-E652 PolarHBondContact N-OE2 2.89Å; T649-E652 WeakPolarHBondContact O-CB 3.31Å; T649-E652 PolarHBondContact O-N 3.26Å; T649-F653 PolarHBondContact O-N 3.13Å; T649-E813 HydrophobicContact CG2-CG 4.1Å; T649-E813 VanDerWaalsContact CG2-OE2 3.27Å; T649-E813 WeakPolarHBondContact CG2-OE2 3.2Å |
| 650 | L | 80.6 | Confident | 68 | Low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -59.6 | -38.2 | -177.1 | -158.7 | 178.3 | 0 | 0 | 0 | 111.2 | F653 A654 L736 L738 L811 E813 H815 | L650-F653 PolarHBondContact O-N 3.29Å; L650-A654 WeakPolarHBondContact O-CB 3.47Å; L650-A654 PolarHBondContact O-N 2.91Å; L650-L736 HydrophobicContact CD2-CD1 4.14Å; L650-L736 HydrophobicContact CD2-CD2 3.52Å; L650-L736 HydrophobicContact CD2-CG 4.4Å; L650-L738 HydrophobicContact CD2-CD1 4.3Å; L650-L738 HydrophobicContact CD2-CD2 3.94Å; L650-L811 HydrophobicContact CD1-CB 4.05Å; L650-L811 HydrophobicContact CD1-CD2 3.79Å; L650-L811 HydrophobicContact CD1-CG 4.33Å; L650-L811 HydrophobicContact CG-CD2 3.92Å; L650-E813 HydrophobicContact CB-CB 4.14Å; L650-E813 HydrophobicContact CB-CG 4.13Å; L650-E813 WeakPolarHBondContact CB-OE2 3.15Å; L650-E813 HydrophobicContact CD1-CB 4.29Å; L650-E813 PolarHBondContact N-OE2 3.18Å; L650-H815 HydrophobicContact CD1-CB 4.22Å |
| 651 | S | 80.6 | Confident | 70.7 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 18% | 0.175 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68 | -31 | 174.5 | -61.8 | 0 | 0 | 0 | 0 | 114 | T649 Q655 E813 | T649-S651 VanDerWaalsContact C-N 3.25Å; T649-S651 PolarHBondContact O-N 3.02Å; S651-Q655 WeakPolarHBondContact O-CB 3.45Å; S651-Q655 VanDerWaalsContact O-CG 3.22Å; S651-Q655 WeakPolarHBondContact O-CG 3.46Å; S651-Q655 PolarHBondContact O-N 3.11Å; S651-Q655 PolarHBondContact O-NE2 3.4Å; S651-E813 VanDerWaalsContact CB-OE2 3.26Å; S651-E813 WeakPolarHBondContact CB-OE2 3.49Å; S651-E813 PolarHBondContact N-OE2 3.4Å; S651-E813 PolarHBondContact OG-OE1 2.58Å; S651-E813 PolarHBondContact OG-OE2 3.46Å |
| 652 | E | 81.3 | Confident | 73 | Confident | 91 Ų | 91 | 68.2 Ų | 68.2 | 43% | 0.425 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.8 | -46.3 | 172.7 | -66.2 | 172.8 | 150.1 | 0 | 0 | 110 | P647 S648 T649 A654 Q655 G656 | P647-E652 HydrophobicContact CB-CB 3.76Å; S648-E652 WeakPolarHBondContact CA-OE2 3.4Å; S648-E652 WeakPolarHBondContact CB-OE2 3.34Å; S648-E652 PolarHBondContact N-OE2 3.37Å; S648-E652 PolarHBondContact OG-OE2 2.83Å; T649-E652 PolarHBondContact N-OE2 2.89Å; T649-E652 WeakPolarHBondContact O-CB 3.31Å; T649-E652 PolarHBondContact O-N 3.26Å; E652-A654 VanDerWaalsContact C-N 3.31Å; E652-A654 PolarHBondContact O-N 3.03Å; E652-Q655 PolarHBondContact O-N 3.34Å; E652-G656 PolarHBondContact O-N 3.12Å |
| 653 | F | 83.2 | Confident | 75.4 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 8% | 0.083 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 173.3 | 174.2 | -91.3 | 0 | 0 | 0 | 111.5 | P647 T649 L650 Q655 G656 A657 L658 A804 T807 V808 | P647-F653 HydrophobicContact CB-CB 4.11Å; P647-F653 HydrophobicContact CG-CB 3.94Å; P647-F653 HydrophobicContact CG-CD2 4.14Å; T649-F653 PolarHBondContact O-N 3.13Å; L650-F653 PolarHBondContact O-N 3.29Å; F653-Q655 VanDerWaalsContact C-N 3.34Å; F653-Q655 PolarHBondContact O-N 3.4Å; F653-G656 PolarHBondContact O-N 3.14Å; F653-A657 HydrophobicContact CD2-CB 4.11Å; F653-A657 HydrophobicContact CE2-CB 3.9Å; F653-A657 HydrophobicContact CZ-CB 4.15Å; F653-A657 WeakPolarHBondContact O-CA 3.24Å; F653-A657 VanDerWaalsContact O-CB 3.27Å; F653-A657 WeakPolarHBondContact O-CB 3.36Å; F653-A657 PolarHBondContact O-N 3.11Å; F653-L658 HydrophobicContact CD1-CD1 4.48Å; F653-L658 HydrophobicContact CE1-CD1 4.15Å; F653-L658 HydrophobicContact CE1-CD2 4.16Å; F653-L658 HydrophobicContact CE1-CG 4.11Å; F653-A804 HydrophobicContact CD1-CB 3.89Å; F653-A804 HydrophobicContact CE1-CB 3.65Å; F653-A804 HydrophobicContact CZ-CB 4.26Å; F653-T807 HydrophobicContact CD2-CG2 3.81Å; F653-T807 HydrophobicContact CE2-CG2 4.07Å; F653-V808 HydrophobicContact CB-CG2 3.61Å; F653-V808 HydrophobicContact CD2-CG2 4.36Å; F653-V808 HydrophobicContact CG-CG2 4.03Å |
| 654 | A | 82.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L650 E652 L658 F678 L736 L738 | L650-A654 WeakPolarHBondContact O-CB 3.47Å; L650-A654 PolarHBondContact O-N 2.91Å; E652-A654 VanDerWaalsContact C-N 3.31Å; E652-A654 PolarHBondContact O-N 3.03Å; A654-L658 HydrophobicContact CB-CD1 4.26Å; A654-L658 WeakPolarHBondContact O-CB 3.49Å; A654-L658 PolarHBondContact O-N 3.48Å; A654-L658 VanDerWaalsContact O-O 3.09Å; A654-F678 HydrophobicContact CB-CD1 4.04Å; A654-F678 HydrophobicContact CB-CD2 4.16Å; A654-F678 HydrophobicContact CB-CE1 4.17Å; A654-F678 HydrophobicContact CB-CE2 4.3Å; A654-F678 HydrophobicContact CB-CG 4.04Å; A654-F678 HydrophobicContact CB-CZ 4.3Å; A654-F678 WeakPolarHBondContact O-CD1 3.45Å; A654-F678 WeakPolarHBondContact O-CE1 3.49Å; A654-L736 HydrophobicContact CB-CD2 3.8Å; A654-L738 HydrophobicContact CB-CD1 3.48Å; A654-L738 VanDerWaalsContact CB-CD1 3.48Å |
| 655 | Q | 81.9 | Confident | 79.4 | Confident | 143 Ų | 143 | 57.1 Ų | 57.1 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -77.9 | -33.5 | 178.3 | -73.9 | 169.8 | 67.6 | 0 | 0 | 113.3 | S651 E652 F653 F678 | S651-Q655 WeakPolarHBondContact O-CB 3.45Å; S651-Q655 VanDerWaalsContact O-CG 3.22Å; S651-Q655 WeakPolarHBondContact O-CG 3.46Å; S651-Q655 PolarHBondContact O-N 3.11Å; S651-Q655 PolarHBondContact O-NE2 3.4Å; E652-Q655 PolarHBondContact O-N 3.34Å; F653-Q655 VanDerWaalsContact C-N 3.34Å; F653-Q655 PolarHBondContact O-N 3.4Å; Q655-F678 HydrophobicContact CG-CE1 4.15Å; Q655-F678 HydrophobicContact CG-CZ 4.19Å |
| 656 | G | 77.8 | Confident | 81 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 76% | 0.763 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -90.1 | -31.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E652 F653 | E652-G656 PolarHBondContact O-N 3.12Å; F653-G656 PolarHBondContact O-N 3.14Å |
| 657 | A | 80 | Confident | 82.4 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -114.9 | -13.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115 | F653 | F653-A657 HydrophobicContact CD2-CB 4.11Å; F653-A657 HydrophobicContact CE2-CB 3.9Å; F653-A657 HydrophobicContact CZ-CB 4.15Å; F653-A657 WeakPolarHBondContact O-CA 3.24Å; F653-A657 VanDerWaalsContact O-CB 3.27Å; F653-A657 WeakPolarHBondContact O-CB 3.36Å; F653-A657 PolarHBondContact O-N 3.11Å |
| 658 | L | 84.8 | Confident | 83.3 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 18% | 0.183 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -120.8 | 147.2 | -177.8 | -51.3 | 179.8 | 0 | 0 | 0 | 112.1 | F653 A654 F678 L680 L736 | F653-L658 HydrophobicContact CD1-CD1 4.48Å; F653-L658 HydrophobicContact CE1-CD1 4.15Å; F653-L658 HydrophobicContact CE1-CD2 4.16Å; F653-L658 HydrophobicContact CE1-CG 4.11Å; A654-L658 HydrophobicContact CB-CD1 4.26Å; A654-L658 WeakPolarHBondContact O-CB 3.49Å; A654-L658 PolarHBondContact O-N 3.48Å; A654-L658 VanDerWaalsContact O-O 3.09Å; L658-F678 HydrophobicContact CB-CB 3.92Å; L658-F678 HydrophobicContact CB-CD1 4.4Å; L658-F678 HydrophobicContact CD1-CB 4.1Å; L658-L680 HydrophobicContact CD1-CD2 3.8Å; L658-L680 HydrophobicContact CD2-CD2 4.46Å; L658-L736 HydrophobicContact CD1-CB 4.43Å; L658-L736 HydrophobicContact CD1-CD2 3.82Å |
| 659 | S | 85.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 52 Ų | 52 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | trans | -82.8 | 121.6 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | L661 F678 L679 | S659-L661 PolarHBondContact O-N 2.76Å; S659-F678 CarbonylContact O-C 3.53Å; S659-F678 WeakPolarHBondContact O-CA 3.46Å; S659-L679 PolarHBondContact O-N 3.24Å | ||
| 660 | R | 86.7 | Confident | 84.3 | Confident | 136 Ų | 136 | 55.3 Ų | 55.3 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 101.9 | 177.8 | -170 | 178.1 | 58.5 | 73.7 | 10.4 | 111.1 | D676 L677 F678 | R660-D676 WeakPolarHBondContact CD-OD1 3.49Å; R660-D676 IonicContact NH1-OD1 2.79Å; R660-L677 CarbonylContact C-O 3.54Å; R660-L677 WeakPolarHBondContact CA-O 3.3Å; R660-F678 HydrophobicContact CB-CD1 3.73Å; R660-F678 HydrophobicContact CB-CE1 3.71Å; R660-F678 HydrophobicContact CB-CG 4.49Å; R660-F678 HydrophobicContact CB-CZ 4.43Å; R660-F678 HydrophobicContact CG-CD1 4.13Å; R660-F678 HydrophobicContact CG-CE1 3.89Å; R660-F678 HydrophobicContact CG-CZ 4.11Å |
| 661 | L | 84 | Confident | 84.6 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -25.9 | -175 | -65 | 179.5 | 0 | 0 | 0 | 114.4 | S659 L677 L679 A684 F687 H688 L735 | S659-L661 PolarHBondContact O-N 2.76Å; L661-L677 PolarHBondContact N-O 3.45Å; L661-L679 HydrophobicContact CD1-CB 3.8Å; L661-L679 HydrophobicContact CD1-CD1 3.97Å; L661-L679 HydrophobicContact CD1-CD2 4.35Å; L661-L679 HydrophobicContact CD1-CG 4.25Å; L661-L679 HydrophobicContact CG-CB 4.14Å; L661-A684 HydrophobicContact CD1-CB 4.31Å; L661-A684 HydrophobicContact CD2-CB 3.97Å; L661-F687 HydrophobicContact CB-CD1 3.68Å; L661-F687 HydrophobicContact CB-CE1 3.5Å; L661-F687 VanDerWaalsContact CB-CE1 3.5Å; L661-F687 HydrophobicContact CB-CZ 4.39Å; L661-F687 HydrophobicContact CD1-CB 4.36Å; L661-F687 HydrophobicContact CD1-CD1 3.8Å; L661-F687 HydrophobicContact CD1-CE1 4.39Å; L661-F687 HydrophobicContact CD1-CG 4.16Å; L661-F687 HydrophobicContact CG-CD1 4.31Å; L661-H688 PolarHBondContact O-CE1 2.88Å; L661-H688 VanDerWaalsContact O-CE1 3.29Å; L661-L735 HydrophobicContact CD1-CD2 3.82Å |
| 662 | W | 86.7 | Confident | 85 | Confident | 21 Ų | 21 | 55 Ų | 55 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 156.1 | -179.2 | -175.9 | 83.7 | 0 | 0 | 0 | 113 | G664 F666 L677 F687 M691 S702 L704 | W662-G664 VanDerWaalsContact CH2-CA 3.5Å; W662-F666 HydrophobicContact CZ3-CE2 4.38Å; W662-L677 HydrophobicContact CB-CB 4.29Å; W662-L677 HydrophobicContact CB-CD1 4.32Å; W662-L677 HydrophobicContact CD2-CD1 4.24Å; W662-L677 HydrophobicContact CE3-CD1 3.53Å; W662-L677 HydrophobicContact CE3-CG 3.79Å; W662-L677 HydrophobicContact CZ3-CD1 4.11Å; W662-L677 HydrophobicContact CZ3-CG 4.41Å; W662-L677 PolarHBondContact N-O 3.05Å; W662-L677 PolarHBondContact O-N 3.41Å; W662-F687 HydrophobicContact CB-CE1 3.84Å; W662-F687 HydrophobicContact CB-CZ 3.65Å; W662-F687 HydrophobicContact CG-CZ 4.33Å; W662-M691 HydrophobicContact CD2-CE 3.94Å; W662-M691 VanDerWaalsContact CE2-CE 3.49Å; W662-M691 HydrophobicContact CG-CE 3.96Å; W662-M691 HydrophobicContact CZ2-CE 3.97Å; W662-M691 VanDerWaalsContact NE1-CE 3.34Å; W662-S702 WeakPolarHBondContact CZ2-O 3.5Å; W662-L704 HydrophobicContact CH2-CB 4.44Å; W662-L704 HydrophobicContact CH2-CD1 3.7Å; W662-L704 HydrophobicContact CH2-CG 3.79Å; W662-L704 HydrophobicContact CZ2-CD1 4.08Å; W662-L704 HydrophobicContact CZ2-CG 3.95Å; W662-L704 HydrophobicContact CZ3-CD1 4.06Å |
| 663 | R | 85.8 | Confident | 85.4 | Confident | 118 Ų | 118 | 51 Ų | 51 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.4 | 170.6 | -178.5 | 165.5 | 166.3 | -179.2 | -7.4 | 109 | D676 | R663-D676 WeakPolarHBondContact CB-OD1 3.4Å; R663-D676 VanDerWaalsContact CD-OD1 3.24Å; R663-D676 WeakPolarHBondContact CD-OD1 3.4Å; R663-D676 WeakPolarHBondContact CG-OD1 3.38Å |
| 664 | G | 85.8 | Confident | 85.7 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | -147.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W662 P674 T675 S702 | W662-G664 VanDerWaalsContact CH2-CA 3.5Å; G664-P674 WeakPolarHBondContact O-CA 3.4Å; G664-T675 PolarHBondContact N-O 2.81Å; G664-T675 VanDerWaalsContact N-O 3.08Å; G664-T675 PolarHBondContact O-N 3.04Å; G664-S702 CarbonylContact C-O 3.59Å; G664-S702 VanDerWaalsContact CA-O 3.31Å; G664-S702 WeakPolarHBondContact CA-O 3.19Å |
| 665 | F | 87.7 | Confident | 86.1 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.5 | -173.4 | -59.6 | -85.3 | 0 | 0 | 0 | 112 | S672 F673 P674 S702 Q703 L704 A746 L749 | F665-S672 WeakPolarHBondContact CB-OG 3.46Å; F665-S672 WeakPolarHBondContact CD1-OG 3.32Å; F665-F673 WeakPolarHBondContact CA-O 3.27Å; F665-P674 HydrophobicContact CD1-CB 3.93Å; F665-P674 HydrophobicContact CE1-CB 3.77Å; F665-P674 HydrophobicContact CE1-CG 4.46Å; F665-S702 PolarHBondContact N-O 2.92Å; F665-Q703 HydrophobicContact CB-CG 4.5Å; F665-Q703 CarbonylContact O-C 3.49Å; F665-Q703 WeakPolarHBondContact O-CA 3.16Å; F665-L704 PolarHBondContact O-N 2.83Å; F665-A746 HydrophobicContact CE2-CB 4.26Å; F665-A746 HydrophobicContact CZ-CB 3.7Å; F665-L749 HydrophobicContact CD1-CD2 4.09Å; F665-L749 HydrophobicContact CD2-CD2 4.16Å; F665-L749 HydrophobicContact CE1-CD1 3.97Å; F665-L749 HydrophobicContact CE1-CD2 3.96Å; F665-L749 HydrophobicContact CE1-CG 4.34Å; F665-L749 HydrophobicContact CE2-CD2 4.03Å; F665-L749 HydrophobicContact CE2-CG 4.24Å; F665-L749 HydrophobicContact CG-CD2 4.19Å; F665-L749 HydrophobicContact CZ-CD1 3.8Å; F665-L749 HydrophobicContact CZ-CD2 3.92Å; F665-L749 HydrophobicContact CZ-CG 3.96Å |
| 666 | F | 89.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138.2 | 157.7 | -78 | -80.4 | 0 | 0 | 0 | 109.6 | W662 S672 F673 T675 L677 L704 I706 L761 V774 L788 I818 | W662-F666 HydrophobicContact CZ3-CE2 4.38Å; F666-S672 CarbonylContact O-C 3.53Å; F666-S672 WeakPolarHBondContact O-CA 3.36Å; F666-F673 HydrophobicContact CB-CB 4.47Å; F666-F673 HydrophobicContact CB-CD2 4.5Å; F666-F673 PolarHBondContact N-O 2.93Å; F666-F673 WeakPolarHBondContact O-CD2 3.18Å; F666-F673 PolarHBondContact O-N 3.27Å; F666-T675 HydrophobicContact CD2-CG2 3.98Å; F666-T675 HydrophobicContact CE2-CG2 3.94Å; F666-L677 HydrophobicContact CE2-CD2 4.33Å; F666-L704 CarbonylContact C-O 3.57Å; F666-L704 WeakPolarHBondContact CA-O 3.46Å; F666-L704 HydrophobicContact CD1-CB 3.76Å; F666-L704 HydrophobicContact CD1-CD1 4.45Å; F666-L704 HydrophobicContact CE1-CB 3.66Å; F666-L704 HydrophobicContact CE1-CD1 3.6Å; F666-L704 HydrophobicContact CE1-CG 4.3Å; F666-L704 HydrophobicContact CE2-CD1 4.35Å; F666-L704 HydrophobicContact CZ-CB 4.33Å; F666-L704 HydrophobicContact CZ-CD1 3.52Å; F666-I706 HydrophobicContact CB-CD1 4.24Å; F666-I706 HydrophobicContact CD1-CD1 3.99Å; F666-I706 HydrophobicContact CD1-CG1 3.98Å; F666-I706 HydrophobicContact CG-CD1 4.42Å; F666-L761 HydrophobicContact CB-CD2 4.01Å; F666-V774 HydrophobicContact CE1-CG2 4.29Å; F666-L788 HydrophobicContact CE1-CD2 4.07Å; F666-L788 HydrophobicContact CZ-CD2 4.41Å; F666-I818 HydrophobicContact CE1-CD1 4.31Å; F666-I818 HydrophobicContact CE2-CD1 3.63Å; F666-I818 HydrophobicContact CZ-CD1 3.34Å |
| 667 | A | 87.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S671 Q703 L704 K705 I706 | A667-S671 WeakPolarHBondContact CA-O 3.27Å; A667-Q703 HydrophobicContact CB-CG 3.77Å; A667-L704 PolarHBondContact N-O 3.24Å; A667-K705 HydrophobicContact CB-CG 4.1Å; A667-I706 PolarHBondContact O-N 2.83Å |
| 668 | L | 88.7 | Confident | 87.5 | Confident | 29 Ų | 29 | 38 Ų | 38 | 15% | 0.152 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 108.9 | 175.3 | -176.1 | 71.4 | 0 | 0 | 0 | 109 | N670 S671 F673 I706 L761 Y764 | L668-N670 PolarHBondContact O-N 2.66Å; L668-S671 PolarHBondContact N-O 3.1Å; L668-S671 PolarHBondContact O-N 3.11Å; L668-S671 VanDerWaalsContact O-N 3.09Å; L668-F673 HydrophobicContact CB-CE2 3.95Å; L668-I706 HydrophobicContact CD1-CB 3.98Å; L668-I706 HydrophobicContact CD1-CG2 3.91Å; L668-L761 HydrophobicContact CD2-CD1 4.06Å; L668-Y764 HydrophobicContact CD2-CD1 3.65Å; L668-Y764 HydrophobicContact CD2-CE1 3.53Å; L668-Y764 HydrophobicContact CD2-CG 4.35Å |
| 669 | K | 85.2 | Confident | 87.8 | Confident | 167 Ų | 167 | 38.1 Ų | 38.1 | 73% | 0.726 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | -109.3 | -175.1 | -55.5 | 175.3 | -177.9 | 177.2 | 0 | 111.3 | L753 | K669-L753 WeakPolarHBondContact O-CD2 3.41Š|
| 670 | N | 83.8 | Confident | 87.9 | Confident | 116 Ų | 116 | 36.7 Ų | 36.7 | 62% | 0.62 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 15.9 | -174.2 | -55.3 | 29.6 | 0 | 0 | 0 | 111.8 | L668 Q754 | L668-N670 PolarHBondContact O-N 2.66Å; N670-Q754 PolarHBondContact O-N 3.23Å |
| 671 | S | 87.9 | Confident | 87.8 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 140.9 | -178.6 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | A667 L668 Q754 R756 | A667-S671 WeakPolarHBondContact CA-O 3.27Å; L668-S671 PolarHBondContact N-O 3.1Å; L668-S671 PolarHBondContact O-N 3.11Å; L668-S671 VanDerWaalsContact O-N 3.09Å; S671-Q754 CarbonylContact C-O 3.47Å; S671-Q754 VanDerWaalsContact CA-O 3.28Å; S671-Q754 WeakPolarHBondContact CA-O 3.48Å; S671-R756 PolarHBondContact OG-NE 3.17Å |
| 672 | S | 88.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.3 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | F665 F666 Q754 V755 R756 | F665-S672 WeakPolarHBondContact CB-OG 3.46Å; F665-S672 WeakPolarHBondContact CD1-OG 3.32Å; F666-S672 CarbonylContact O-C 3.53Å; F666-S672 WeakPolarHBondContact O-CA 3.36Å; S672-Q754 PolarHBondContact N-O 3.3Å; S672-V755 CarbonylContact O-C 3.59Å; S672-V755 WeakPolarHBondContact O-CA 3.35Å; S672-R756 PolarHBondContact O-N 2.89Å |
| 673 | F | 90.6 | Very high | 87.5 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 104.8 | -172.4 | -51.5 | -82.5 | 0 | 0 | 0 | 109.9 | F665 F666 L668 T675 R756 L757 H760 L761 | F665-F673 WeakPolarHBondContact CA-O 3.27Å; F666-F673 HydrophobicContact CB-CB 4.47Å; F666-F673 HydrophobicContact CB-CD2 4.5Å; F666-F673 PolarHBondContact N-O 2.93Å; F666-F673 WeakPolarHBondContact O-CD2 3.18Å; F666-F673 PolarHBondContact O-N 3.27Å; L668-F673 HydrophobicContact CB-CE2 3.95Å; F673-T675 PolarHBondContact O-N 3.29Å; F673-T675 PolarHBondContact O-OG1 3.43Å; F673-R756 WeakPolarHBondContact CA-O 3.33Å; F673-R756 HydrophobicContact CD1-CB 3.9Å; F673-R756 WeakPolarHBondContact CD1-O 3.19Å; F673-R756 HydrophobicContact CE1-CB 3.68Å; F673-L757 WeakPolarHBondContact CD1-O 3.33Å; F673-H760 HydrophobicContact CE1-CB 4.05Å; F673-L761 HydrophobicContact CD1-CB 3.93Å; F673-L761 HydrophobicContact CD2-CB 4.02Å; F673-L761 HydrophobicContact CD2-CD1 4.44Å; F673-L761 HydrophobicContact CD2-CD2 3.94Å; F673-L761 HydrophobicContact CD2-CG 4.36Å; F673-L761 HydrophobicContact CE1-CB 3.96Å; F673-L761 HydrophobicContact CE2-CB 4.06Å; F673-L761 HydrophobicContact CE2-CD1 4.11Å; F673-L761 HydrophobicContact CE2-CD2 4.43Å; F673-L761 HydrophobicContact CE2-CG 4.43Å; F673-L761 HydrophobicContact CG-CB 3.97Å; F673-L761 HydrophobicContact CG-CD2 4.29Å; F673-L761 HydrophobicContact CZ-CB 4.03Å |
| 674 | P | 89.5 | Confident | 87.3 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128.8 | 178.7 | 24.2 | -28.2 | 0 | 0 | 0 | 109.7 | G664 F665 Q739 G740 V742 V755 R756 | G664-P674 WeakPolarHBondContact O-CA 3.4Å; F665-P674 HydrophobicContact CD1-CB 3.93Å; F665-P674 HydrophobicContact CE1-CB 3.77Å; F665-P674 HydrophobicContact CE1-CG 4.46Å; P674-Q739 PolarHBondContact O-NE2 3.11Å; P674-G740 PolarHBondContact O-N 3.31Å; P674-V742 HydrophobicContact CG-CG2 4.1Å; P674-V755 HydrophobicContact CG-CG1 4.29Å; P674-R756 WeakPolarHBondContact CD-O 3.14Å |
| 675 | T | 90.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 132 | -168.9 | -50.7 | 0 | 0 | 0 | 0 | 110.3 | G664 F666 F673 L677 A737 L738 L758 | G664-T675 PolarHBondContact N-O 2.81Å; G664-T675 VanDerWaalsContact N-O 3.08Å; G664-T675 PolarHBondContact O-N 3.04Å; F666-T675 HydrophobicContact CD2-CG2 3.98Å; F666-T675 HydrophobicContact CE2-CG2 3.94Å; F673-T675 PolarHBondContact O-N 3.29Å; F673-T675 PolarHBondContact O-OG1 3.43Å; T675-L677 HydrophobicContact CG2-CD2 3.96Å; T675-A737 HydrophobicContact CG2-CB 3.84Å; T675-L738 WeakPolarHBondContact CA-O 3.46Å; T675-L758 HydrophobicContact CG2-CD2 4.24Å |
| 676 | D | 89.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139 | 169.7 | -83.2 | -72 | 0 | 0 | 0 | 109.8 | R660 R663 F678 A737 L738 G740 P741 | R660-D676 WeakPolarHBondContact CD-OD1 3.49Å; R660-D676 IonicContact NH1-OD1 2.79Å; R663-D676 WeakPolarHBondContact CB-OD1 3.4Å; R663-D676 VanDerWaalsContact CD-OD1 3.24Å; R663-D676 WeakPolarHBondContact CD-OD1 3.4Å; R663-D676 WeakPolarHBondContact CG-OD1 3.38Å; D676-F678 HydrophobicContact CB-CE2 3.76Å; D676-F678 HydrophobicContact CB-CZ 4.24Å; D676-A737 WeakPolarHBondContact O-CA 3.27Å; D676-L738 PolarHBondContact N-O 2.84Å; D676-L738 PolarHBondContact O-N 2.82Å; D676-G740 VanDerWaalsContact OD2-CA 3.29Å; D676-G740 WeakPolarHBondContact OD2-CA 3.31Å; D676-P741 WeakPolarHBondContact OD2-CD 3.31Å |
| 677 | L | 90.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.3 | -176 | -60.3 | -177.5 | 0 | 0 | 0 | 111.4 | R660 L661 W662 F666 T675 F687 L735 L736 A737 I818 | R660-L677 CarbonylContact C-O 3.54Å; R660-L677 WeakPolarHBondContact CA-O 3.3Å; L661-L677 PolarHBondContact N-O 3.45Å; W662-L677 HydrophobicContact CB-CB 4.29Å; W662-L677 HydrophobicContact CB-CD1 4.32Å; W662-L677 HydrophobicContact CD2-CD1 4.24Å; W662-L677 HydrophobicContact CE3-CD1 3.53Å; W662-L677 HydrophobicContact CE3-CG 3.79Å; W662-L677 HydrophobicContact CZ3-CD1 4.11Å; W662-L677 HydrophobicContact CZ3-CG 4.41Å; W662-L677 PolarHBondContact N-O 3.05Å; W662-L677 PolarHBondContact O-N 3.41Å; F666-L677 HydrophobicContact CE2-CD2 4.33Å; T675-L677 HydrophobicContact CG2-CD2 3.96Å; L677-F687 HydrophobicContact CD1-CZ 4.3Å; L677-L735 HydrophobicContact CB-CD1 4.32Å; L677-L735 HydrophobicContact CD1-CD1 4.03Å; L677-L736 WeakPolarHBondContact CA-O 3.18Å; L677-A737 HydrophobicContact CD2-CB 3.37Å; L677-I818 HydrophobicContact CD1-CD1 4.46Å; L677-I818 HydrophobicContact CD2-CD1 3.63Å; L677-I818 HydrophobicContact CD2-CG1 4.49Å |
| 678 | F | 89.8 | Confident | 86.2 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.044 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.8 | -178.5 | -57.7 | -100.1 | 0 | 0 | 0 | 109.9 | A654 Q655 L658 S659 R660 D676 L735 L736 L738 | A654-F678 HydrophobicContact CB-CD1 4.04Å; A654-F678 HydrophobicContact CB-CD2 4.16Å; A654-F678 HydrophobicContact CB-CE1 4.17Å; A654-F678 HydrophobicContact CB-CE2 4.3Å; A654-F678 HydrophobicContact CB-CG 4.04Å; A654-F678 HydrophobicContact CB-CZ 4.3Å; A654-F678 WeakPolarHBondContact O-CD1 3.45Å; A654-F678 WeakPolarHBondContact O-CE1 3.49Å; Q655-F678 HydrophobicContact CG-CE1 4.15Å; Q655-F678 HydrophobicContact CG-CZ 4.19Å; L658-F678 HydrophobicContact CB-CB 3.92Å; L658-F678 HydrophobicContact CB-CD1 4.4Å; L658-F678 HydrophobicContact CD1-CB 4.1Å; S659-F678 CarbonylContact O-C 3.53Å; S659-F678 WeakPolarHBondContact O-CA 3.46Å; R660-F678 HydrophobicContact CB-CD1 3.73Å; R660-F678 HydrophobicContact CB-CE1 3.71Å; R660-F678 HydrophobicContact CB-CG 4.49Å; R660-F678 HydrophobicContact CB-CZ 4.43Å; R660-F678 HydrophobicContact CG-CD1 4.13Å; R660-F678 HydrophobicContact CG-CE1 3.89Å; R660-F678 HydrophobicContact CG-CZ 4.11Å; D676-F678 HydrophobicContact CB-CE2 3.76Å; D676-F678 HydrophobicContact CB-CZ 4.24Å; F678-L735 CarbonylContact O-C 3.58Å; F678-L735 WeakPolarHBondContact O-CA 3.37Å; F678-L735 WeakPolarHBondContact O-CB 3.49Å; F678-L736 HydrophobicContact CB-CB 4.39Å; F678-L736 PolarHBondContact N-O 2.78Å; F678-L736 PolarHBondContact O-N 3.34Å; F678-L738 HydrophobicContact CD2-CD1 4.2Å; F678-L738 HydrophobicContact CD2-CG 4.46Å; F678-L738 HydrophobicContact CE2-CB 4.3Å; F678-L738 HydrophobicContact CE2-CD1 3.92Å; F678-L738 HydrophobicContact CE2-CG 4.34Å |
| 679 | L | 90.6 | Very high | 85.8 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.4 | 178.8 | -174.9 | 60.1 | 0 | 0 | 0 | 111.3 | S659 L661 E681 A684 L735 | S659-L679 PolarHBondContact O-N 3.24Å; L661-L679 HydrophobicContact CD1-CB 3.8Å; L661-L679 HydrophobicContact CD1-CD1 3.97Å; L661-L679 HydrophobicContact CD1-CD2 4.35Å; L661-L679 HydrophobicContact CD1-CG 4.25Å; L661-L679 HydrophobicContact CG-CB 4.14Å; L679-E681 WeakPolarHBondContact CD1-O 3.34Å; L679-A684 HydrophobicContact CD2-CB 4.09Å; L679-L735 HydrophobicContact CD1-CD2 3.86Å |
| 680 | L | 86.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 32.7 Ų | 32.7 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -49.5 | 165.9 | -66.2 | 168.4 | 0 | 0 | 0 | 111 | L658 I734 L736 F800 L801 | L658-L680 HydrophobicContact CD1-CD2 3.8Å; L658-L680 HydrophobicContact CD2-CD2 4.46Å; L680-I734 HydrophobicContact CB-CG2 4.49Å; L680-I734 WeakPolarHBondContact CB-O 3.34Å; L680-I734 HydrophobicContact CD1-CG2 4.27Å; L680-I734 PolarHBondContact N-O 3.1Å; L680-L736 HydrophobicContact CD1-CB 3.94Å; L680-L736 HydrophobicContact CD2-CB 4.07Å; L680-L736 HydrophobicContact CG-CB 3.9Å; L680-F800 HydrophobicContact CD1-CB 4.39Å; L680-L801 HydrophobicContact CD1-CD2 3.42Å; L680-L801 VanDerWaalsContact CD1-CD2 3.42Å; L680-L801 HydrophobicContact CD2-CD2 4.11Å; L680-L801 HydrophobicContact CG-CD2 4.43Å |
| 681 | E | 84.6 | Confident | 85.3 | Confident | 96 Ų | 96 | 27.5 Ų | 27.5 | 45% | 0.449 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 149.9 | -171.5 | -160.9 | -178.8 | 163.6 | 0 | 0 | 111.2 | L679 F732 I734 | L679-E681 WeakPolarHBondContact CD1-O 3.34Å; E681-F732 HydrophobicContact CG-CE2 4.29Å; E681-I734 HydrophobicContact CB-CB 4.12Å; E681-I734 HydrophobicContact CB-CD1 4.35Å; E681-I734 HydrophobicContact CB-CG1 4.36Å; E681-I734 PolarHBondContact N-O 3.18Å; E681-I734 VanDerWaalsContact N-O 3.15Å; E681-I734 PolarHBondContact O-N 2.83Å |
| 682 | G | 83.9 | Confident | 84.4 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 88.4 | -172.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A684 | G682-A684 PolarHBondContact O-N 3.24Å |
| 683 | G | 81.4 | Confident | 83 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | trans | -78.6 | 104.7 | -164 | 0 | 0 | 0 | 0 | 0 | 115.6 | A685 Y686 F687 P729 F732 | G683-A685 VanDerWaalsContact C-N 3.3Å; G683-A685 PolarHBondContact O-N 3.34Å; G683-Y686 WeakPolarHBondContact O-CB 3.47Å; G683-Y686 PolarHBondContact O-N 3.06Å; G683-F687 PolarHBondContact O-N 3.06Å; G683-P729 PolarHBondContact N-O 3.14Å; G683-F732 PolarHBondContact N-O 3.11Å | ||
| 684 | A | 81.3 | Confident | 81.6 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.6 | -39.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L661 L679 G682 F687 H688 | L661-A684 HydrophobicContact CD1-CB 4.31Å; L661-A684 HydrophobicContact CD2-CB 3.97Å; L679-A684 HydrophobicContact CD2-CB 4.09Å; G682-A684 PolarHBondContact O-N 3.24Å; A684-F687 PolarHBondContact O-N 2.78Å; A684-H688 PolarHBondContact O-CD2 3.29Å; A684-H688 VanDerWaalsContact O-CD2 3.28Å; A684-H688 PolarHBondContact O-N 3.11Å |
| 685 | A | 80.8 | Confident | 80.4 | Confident | 74 Ų | 74 | 36.2 Ų | 36.2 | 61% | 0.612 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -67.8 | -37.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G683 H688 T689 | G683-A685 VanDerWaalsContact C-N 3.3Å; G683-A685 PolarHBondContact O-N 3.34Å; A685-H688 PolarHBondContact O-N 3.34Å; A685-T689 PolarHBondContact O-N 2.98Å; A685-T689 PolarHBondContact O-OG1 3.36Å |
| 686 | Y | 82.9 | Confident | 79 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.6 | -49.3 | 173 | 164.4 | -109.4 | 0 | 0 | 0 | 110.8 | G683 H688 T689 V690 D730 A733 I820 N822 | G683-Y686 WeakPolarHBondContact O-CB 3.47Å; G683-Y686 PolarHBondContact O-N 3.06Å; Y686-H688 PolarHBondContact O-N 2.79Å; Y686-T689 WeakPolarHBondContact O-CB 3.31Å; Y686-T689 PolarHBondContact O-N 3.22Å; Y686-T689 VanDerWaalsContact O-N 3.11Å; Y686-V690 HydrophobicContact CD2-CG2 3.95Å; Y686-V690 HydrophobicContact CE2-CG2 3.56Å; Y686-V690 WeakPolarHBondContact O-CG2 3.45Å; Y686-V690 PolarHBondContact O-N 3.16Å; Y686-D730 VanDerWaalsContact CB-O 3.27Å; Y686-D730 WeakPolarHBondContact CB-O 3.44Å; Y686-A733 HydrophobicContact CD1-CB 4.37Å; Y686-I820 HydrophobicContact CE1-CG2 4.01Å; Y686-N822 PolarHBondContact OH-N 3.4Å; Y686-N822 PolarHBondContact OH-OD1 3.5Å |
| 687 | F | 83.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.7 | -51.3 | 174.4 | 173.6 | -99.6 | 0 | 0 | 0 | 112.5 | L661 W662 L677 G683 A684 T689 V690 M691 A733 L735 I820 | L661-F687 HydrophobicContact CB-CD1 3.68Å; L661-F687 HydrophobicContact CB-CE1 3.5Å; L661-F687 VanDerWaalsContact CB-CE1 3.5Å; L661-F687 HydrophobicContact CB-CZ 4.39Å; L661-F687 HydrophobicContact CD1-CB 4.36Å; L661-F687 HydrophobicContact CD1-CD1 3.8Å; L661-F687 HydrophobicContact CD1-CE1 4.39Å; L661-F687 HydrophobicContact CD1-CG 4.16Å; L661-F687 HydrophobicContact CG-CD1 4.31Å; W662-F687 HydrophobicContact CB-CE1 3.84Å; W662-F687 HydrophobicContact CB-CZ 3.65Å; W662-F687 HydrophobicContact CG-CZ 4.33Å; L677-F687 HydrophobicContact CD1-CZ 4.3Å; G683-F687 PolarHBondContact O-N 3.06Å; A684-F687 PolarHBondContact O-N 2.78Å; F687-T689 PolarHBondContact O-N 3.22Å; F687-V690 PolarHBondContact O-N 2.87Å; F687-M691 HydrophobicContact CD1-CG 4.33Å; F687-M691 HydrophobicContact CD2-CG 3.85Å; F687-M691 HydrophobicContact CE1-CG 3.94Å; F687-M691 HydrophobicContact CE2-CG 3.42Å; F687-M691 VanDerWaalsContact CE2-CG 3.42Å; F687-M691 HydrophobicContact CE2-SD 4.04Å; F687-M691 HydrophobicContact CG-CG 4.31Å; F687-M691 HydrophobicContact CZ-CE 4.37Å; F687-M691 HydrophobicContact CZ-CG 3.5Å; F687-M691 VanDerWaalsContact CZ-CG 3.5Å; F687-M691 HydrophobicContact CZ-SD 4.26Å; F687-M691 VanDerWaalsContact O-CB 3.3Å; F687-M691 WeakPolarHBondContact O-CB 3.34Å; F687-M691 VanDerWaalsContact O-CG 3.32Å; F687-M691 WeakPolarHBondContact O-CG 3.28Å; F687-M691 PolarHBondContact O-N 3.17Å; F687-A733 HydrophobicContact CB-CB 4.24Å; F687-L735 HydrophobicContact CD2-CD1 3.76Å; F687-L735 HydrophobicContact CE2-CD1 3.43Å; F687-L735 VanDerWaalsContact CE2-CD1 3.43Å; F687-L735 HydrophobicContact CZ-CD1 4.06Å; F687-I820 HydrophobicContact CD2-CD1 3.5Å; F687-I820 HydrophobicContact CE2-CD1 3.7Å |
| 688 | H | 81.3 | Confident | 75.8 | Confident | 74 Ų | 74 | 50.8 Ų | 50.8 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.8 | -28.2 | 179.6 | -77.1 | -52.7 | 0 | 0 | 0 | 113.6 | L661 A684 A685 Y686 K692 | L661-H688 PolarHBondContact O-CE1 2.88Å; L661-H688 VanDerWaalsContact O-CE1 3.29Å; A684-H688 PolarHBondContact O-CD2 3.29Å; A684-H688 VanDerWaalsContact O-CD2 3.28Å; A684-H688 PolarHBondContact O-N 3.11Å; A685-H688 PolarHBondContact O-N 3.34Å; Y686-H688 PolarHBondContact O-N 2.79Å; H688-K692 VanDerWaalsContact O-CB 3.26Å; H688-K692 WeakPolarHBondContact O-CB 3.05Å; H688-K692 WeakPolarHBondContact O-CD 3.28Å; H688-K692 WeakPolarHBondContact O-CG 3.16Å; H688-K692 PolarHBondContact O-N 3.21Å; H688-K692 VanDerWaalsContact O-N 3.1Å |
| 689 | T | 79.3 | Confident | 73.7 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.9 | -57.2 | 175.9 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | A685 Y686 F687 M691 K692 D693 | A685-T689 PolarHBondContact O-N 2.98Å; A685-T689 PolarHBondContact O-OG1 3.36Å; Y686-T689 WeakPolarHBondContact O-CB 3.31Å; Y686-T689 PolarHBondContact O-N 3.22Å; Y686-T689 VanDerWaalsContact O-N 3.11Å; F687-T689 PolarHBondContact O-N 3.22Å; T689-M691 VanDerWaalsContact C-N 3.28Å; T689-M691 PolarHBondContact O-N 3.32Å; T689-K692 PolarHBondContact O-N 2.76Å; T689-K692 VanDerWaalsContact O-N 3.11Å; T689-D693 PolarHBondContact O-N 2.89Å |
| 690 | V | 79.7 | Confident | 72.2 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -39.7 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | Y686 F687 S694 L776 A786 | Y686-V690 HydrophobicContact CD2-CG2 3.95Å; Y686-V690 HydrophobicContact CE2-CG2 3.56Å; Y686-V690 WeakPolarHBondContact O-CG2 3.45Å; Y686-V690 PolarHBondContact O-N 3.16Å; F687-V690 PolarHBondContact O-N 2.87Å; V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.08Å; V690-S694 VanDerWaalsContact O-N 3.14Å; V690-S694 PolarHBondContact O-OG 2.88Å; V690-L776 HydrophobicContact CG1-CB 3.79Å; V690-L776 HydrophobicContact CG1-CD1 3.56Å; V690-L776 HydrophobicContact CG1-CG 4.3Å; V690-A786 HydrophobicContact CG1-CB 3.62Å; V690-A786 HydrophobicContact CG2-CB 4.21Å |
| 691 | M | 77.9 | Confident | 70.7 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 177.3 | -72.4 | -64.6 | -67.4 | 0 | 0 | 113.4 | W662 F687 T689 D693 S694 L695 L704 | W662-M691 HydrophobicContact CD2-CE 3.94Å; W662-M691 VanDerWaalsContact CE2-CE 3.49Å; W662-M691 HydrophobicContact CG-CE 3.96Å; W662-M691 HydrophobicContact CZ2-CE 3.97Å; W662-M691 VanDerWaalsContact NE1-CE 3.34Å; F687-M691 HydrophobicContact CD1-CG 4.33Å; F687-M691 HydrophobicContact CD2-CG 3.85Å; F687-M691 HydrophobicContact CE1-CG 3.94Å; F687-M691 HydrophobicContact CE2-CG 3.42Å; F687-M691 VanDerWaalsContact CE2-CG 3.42Å; F687-M691 HydrophobicContact CE2-SD 4.04Å; F687-M691 HydrophobicContact CG-CG 4.31Å; F687-M691 HydrophobicContact CZ-CE 4.37Å; F687-M691 HydrophobicContact CZ-CG 3.5Å; F687-M691 VanDerWaalsContact CZ-CG 3.5Å; F687-M691 HydrophobicContact CZ-SD 4.26Å; F687-M691 VanDerWaalsContact O-CB 3.3Å; F687-M691 WeakPolarHBondContact O-CB 3.34Å; F687-M691 VanDerWaalsContact O-CG 3.32Å; F687-M691 WeakPolarHBondContact O-CG 3.28Å; F687-M691 PolarHBondContact O-N 3.17Å; T689-M691 VanDerWaalsContact C-N 3.28Å; T689-M691 PolarHBondContact O-N 3.32Å; M691-D693 VanDerWaalsContact C-N 3.34Å; M691-D693 PolarHBondContact O-N 2.98Å; M691-S694 WeakPolarHBondContact CA-OG 3.35Å; M691-S694 PolarHBondContact O-OG 2.59Å; M691-L695 VanDerWaalsContact O-CB 3.27Å; M691-L695 WeakPolarHBondContact O-CB 3.42Å; M691-L695 WeakPolarHBondContact O-CD1 3.47Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.48Å; M691-L695 VanDerWaalsContact O-N 3.12Å; M691-L704 HydrophobicContact CE-CD1 4Å; M691-L704 HydrophobicContact CE-CD2 4.03Å; M691-L704 HydrophobicContact CE-CG 4.27Å; M691-L704 HydrophobicContact SD-CD1 4.4Å; M691-L704 HydrophobicContact SD-CD2 4.15Å |
| 692 | K | 69.1 | Low | 69.9 | Low | 138 Ų | 138 | 55.3 Ų | 55.3 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | 177.9 | -83.5 | 172.4 | -178.1 | 178.6 | 0 | 112.1 | H688 T689 K696 | H688-K692 VanDerWaalsContact O-CB 3.26Å; H688-K692 WeakPolarHBondContact O-CB 3.05Å; H688-K692 WeakPolarHBondContact O-CD 3.28Å; H688-K692 WeakPolarHBondContact O-CG 3.16Å; H688-K692 PolarHBondContact O-N 3.21Å; H688-K692 VanDerWaalsContact O-N 3.1Å; T689-K692 PolarHBondContact O-N 2.76Å; T689-K692 VanDerWaalsContact O-N 3.11Å; K692-K696 WeakPolarHBondContact O-CG 3.4Å; K692-K696 PolarHBondContact O-N 3.48Å |
| 693 | D | 59.9 | Low | 69.7 | Low | 29 Ų | 29 | 54.6 Ų | 54.6 | 16% | 0.155 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -84.3 | -35.5 | -176.2 | -63.3 | -41.3 | 0 | 0 | 0 | 112.7 | T689 M691 L695 K696 L697 A779 | T689-D693 PolarHBondContact O-N 2.89Å; M691-D693 VanDerWaalsContact C-N 3.34Å; M691-D693 PolarHBondContact O-N 2.98Å; D693-L695 VanDerWaalsContact C-N 3.3Å; D693-L695 PolarHBondContact O-N 2.84Å; D693-K696 PolarHBondContact O-N 3.01Å; D693-K696 VanDerWaalsContact O-N 3.11Å; D693-K696 WeakPolarHBondContact OD1-CE 3.32Å; D693-K696 IonicContact OD1-NZ 2.66Å; D693-K696 PolarHBondContact OD1-NZ 3.22Å; D693-L697 WeakPolarHBondContact O-CD1 3.41Å; D693-L697 PolarHBondContact O-N 3.14Å; D693-A779 HydrophobicContact CB-CB 4.31Å; D693-A779 WeakPolarHBondContact OD2-CB 3.47Å |
| 694 | S | 61.3 | Low | 69.9 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.7 | -32.1 | 169.9 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | V690 M691 K696 Q698 | V690-S694 WeakPolarHBondContact O-CB 3.27Å; V690-S694 PolarHBondContact O-N 3.08Å; V690-S694 VanDerWaalsContact O-N 3.14Å; V690-S694 PolarHBondContact O-OG 2.88Å; M691-S694 WeakPolarHBondContact CA-OG 3.35Å; M691-S694 PolarHBondContact O-OG 2.59Å; S694-K696 VanDerWaalsContact C-N 3.35Å; S694-Q698 PolarHBondContact O-N 3.01Å |
| 695 | L | 63.5 | Low | 70.2 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.8 | -10.8 | 172.8 | -70.9 | 174.8 | 0 | 0 | 0 | 114.4 | M691 D693 | M691-L695 VanDerWaalsContact O-CB 3.27Å; M691-L695 WeakPolarHBondContact O-CB 3.42Å; M691-L695 WeakPolarHBondContact O-CD1 3.47Å; M691-L695 WeakPolarHBondContact O-CG 3.46Å; M691-L695 PolarHBondContact O-N 3.48Å; M691-L695 VanDerWaalsContact O-N 3.12Å; D693-L695 VanDerWaalsContact C-N 3.3Å; D693-L695 PolarHBondContact O-N 2.84Å |
| 696 | K | 61.6 | Low | 70.6 | Confident | 149 Ų | 149 | 54.3 Ų | 54.3 | 65% | 0.648 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -83.2 | -37.7 | 169.7 | -70.9 | 165.9 | -166 | 169 | 0 | 112 | K692 D693 S694 | K692-K696 WeakPolarHBondContact O-CG 3.4Å; K692-K696 PolarHBondContact O-N 3.48Å; D693-K696 PolarHBondContact O-N 3.01Å; D693-K696 VanDerWaalsContact O-N 3.11Å; D693-K696 WeakPolarHBondContact OD1-CE 3.32Å; D693-K696 IonicContact OD1-NZ 2.66Å; D693-K696 PolarHBondContact OD1-NZ 3.22Å; S694-K696 VanDerWaalsContact C-N 3.35Å |
| 697 | L | 55.5 | Low | 70.6 | Confident | 129 Ų | 129 | 57 Ų | 57 | 68% | 0.675 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76 | -24.6 | 179.6 | -88 | 89 | 0 | 0 | 0 | 113.5 | D693 P777 | D693-L697 WeakPolarHBondContact O-CD1 3.41Å; D693-L697 PolarHBondContact O-N 3.14Å; L697-P777 HydrophobicContact CB-CG 4.31Å; L697-P777 HydrophobicContact CD1-CG 4.35Å; L697-P777 HydrophobicContact CD2-CB 4.1Å; L697-P777 HydrophobicContact CD2-CG 4.14Å |
| 698 | Q | 56.5 | Low | 70.9 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -95.4 | 121 | 173.8 | -64.8 | -172 | 62.7 | 0 | 0 | 109.2 | S694 Q700 | S694-Q698 PolarHBondContact O-N 3.01Å; Q698-Q700 PolarHBondContact O-N 3.45Å |
| 699 | S | 47.2 | Very low | 71.2 | Confident | 115 Ų | 115 | 66.6 Ų | 66.6 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -71.4 | 24.9 | -176.4 | 70.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 700 | Q | 57.8 | Low | 71.7 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -143.6 | 107.5 | -171.1 | -68 | -67.8 | -7.2 | 0 | 0 | 108.3 | Q698 E750 | Q698-Q700 PolarHBondContact O-N 3.45Å; Q700-E750 PolarHBondContact NE2-OE1 3.44Å |
| 701 | P | 55.4 | Low | 72 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 139.2 | -177.9 | 26.6 | -33.2 | 0 | 0 | 0 | 111.3 | Q703 | P701-Q703 PolarHBondContact O-N 2.86Š|
| 702 | S | 68.7 | Low | 72.3 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 30.8 | 172.1 | -55.3 | 0 | 0 | 0 | 0 | 117.6 | W662 G664 F665 | W662-S702 WeakPolarHBondContact CZ2-O 3.5Å; G664-S702 CarbonylContact C-O 3.59Å; G664-S702 VanDerWaalsContact CA-O 3.31Å; G664-S702 WeakPolarHBondContact CA-O 3.19Å; F665-S702 PolarHBondContact N-O 2.92Å |
| 703 | Q | 79 | Confident | 73.2 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.3 | 168.7 | -171.1 | 173.9 | 92.9 | 0 | 0 | 113.4 | F665 A667 P701 K705 | F665-Q703 HydrophobicContact CB-CG 4.5Å; F665-Q703 CarbonylContact O-C 3.49Å; F665-Q703 WeakPolarHBondContact O-CA 3.16Å; A667-Q703 HydrophobicContact CB-CG 3.77Å; P701-Q703 PolarHBondContact O-N 2.86Å; Q703-K705 HydrophobicContact CG-CG 4.42Å |
| 704 | L | 86.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 111.9 | 175.5 | -70.2 | 177.1 | 0 | 0 | 0 | 110.9 | W662 F665 F666 A667 M691 V774 L776 L788 | W662-L704 HydrophobicContact CH2-CB 4.44Å; W662-L704 HydrophobicContact CH2-CD1 3.7Å; W662-L704 HydrophobicContact CH2-CG 3.79Å; W662-L704 HydrophobicContact CZ2-CD1 4.08Å; W662-L704 HydrophobicContact CZ2-CG 3.95Å; W662-L704 HydrophobicContact CZ3-CD1 4.06Å; F665-L704 PolarHBondContact O-N 2.83Å; F666-L704 CarbonylContact C-O 3.57Å; F666-L704 WeakPolarHBondContact CA-O 3.46Å; F666-L704 HydrophobicContact CD1-CB 3.76Å; F666-L704 HydrophobicContact CD1-CD1 4.45Å; F666-L704 HydrophobicContact CE1-CB 3.66Å; F666-L704 HydrophobicContact CE1-CD1 3.6Å; F666-L704 HydrophobicContact CE1-CG 4.3Å; F666-L704 HydrophobicContact CE2-CD1 4.35Å; F666-L704 HydrophobicContact CZ-CB 4.33Å; F666-L704 HydrophobicContact CZ-CD1 3.52Å; A667-L704 PolarHBondContact N-O 3.24Å; M691-L704 HydrophobicContact CE-CD1 4Å; M691-L704 HydrophobicContact CE-CD2 4.03Å; M691-L704 HydrophobicContact CE-CG 4.27Å; M691-L704 HydrophobicContact SD-CD1 4.4Å; M691-L704 HydrophobicContact SD-CD2 4.15Å; L704-V774 HydrophobicContact CD2-CG1 4.44Å; L704-L776 HydrophobicContact CD2-CD2 3.94Å; L704-L788 HydrophobicContact CD1-CD1 4.02Å |
| 705 | K | 86.4 | Confident | 75.7 | Confident | 99 Ų | 99 | 79.5 Ų | 79.5 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112.5 | -173.8 | -69.4 | 171.3 | -177.8 | 171.2 | 0 | 111.9 | A667 Q703 A707 | A667-K705 HydrophobicContact CB-CG 4.1Å; Q703-K705 HydrophobicContact CG-CG 4.42Å; K705-A707 PolarHBondContact O-N 3.16Å |
| 706 | I | 90.3 | Very high | 76.8 | Confident | 13 Ų | 13 | 82.7 Ų | 82.7 | 7% | 0.067 | 42% | 0.422 | C | S | . | . | trans | -73.8 | 94.4 | 175.1 | -58.7 | 175.8 | 0 | 0 | 0 | 108.5 | F666 A667 L668 Q708 L761 V774 | F666-I706 HydrophobicContact CB-CD1 4.24Å; F666-I706 HydrophobicContact CD1-CD1 3.99Å; F666-I706 HydrophobicContact CD1-CG1 3.98Å; F666-I706 HydrophobicContact CG-CD1 4.42Å; A667-I706 PolarHBondContact O-N 2.83Å; L668-I706 HydrophobicContact CD1-CB 3.98Å; L668-I706 HydrophobicContact CD1-CG2 3.91Å; I706-Q708 WeakPolarHBondContact CG2-O 3.4Å; I706-L761 HydrophobicContact CD1-CD1 3.94Å; I706-L761 HydrophobicContact CD1-CD2 3.8Å; I706-L761 HydrophobicContact CD1-CG 4.48Å; I706-V774 HydrophobicContact CB-CG2 4.49Å; I706-V774 HydrophobicContact CG1-CG2 3.88Å | ||
| 707 | A | 83.7 | Confident | 78.1 | Confident | 84 Ų | 84 | 76.5 Ų | 76.5 | 69% | 0.694 | 40% | 0.396 | S | S | * | . | trans | -85.1 | -30.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K705 V773 | K705-A707 PolarHBondContact O-N 3.16Å; A707-V773 PolarHBondContact N-O 2.77Å | ||
| 708 | Q | 88.9 | Confident | 79.6 | Confident | 118 Ų | 118 | 73.6 Ų | 73.6 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 169 | -175.7 | -64.2 | -175.2 | 32.2 | 0 | 0 | 111.8 | I706 V773 | I706-Q708 WeakPolarHBondContact CG2-O 3.4Å; Q708-V773 HydrophobicContact CB-CB 3.96Å; Q708-V773 HydrophobicContact CB-CG1 4.37Å; Q708-V773 PolarHBondContact N-O 3.09Å; Q708-V773 PolarHBondContact O-N 3.26Å |
| 709 | R | 87.5 | Confident | 81 | Confident | 159 Ų | 159 | 73.7 Ų | 73.7 | 60% | 0.6 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.1 | 172.8 | 62 | -179.1 | 175.7 | 152.1 | 1.2 | 109.4 | A770 A771 | R709-A770 HydrophobicContact CB-CB 4.23Å; R709-A771 CarbonylContact C-O 3.42Å; R709-A771 WeakPolarHBondContact CA-O 3.48Å |
| 710 | L | 88.9 | Confident | 82.9 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124 | 174.5 | 178.9 | 67 | 0 | 0 | 0 | 108 | R716 V720 A770 A771 V773 Y789 | L710-R716 HydrophobicContact CD1-CB 4.08Å; L710-R716 HydrophobicContact CD1-CG 3.87Å; L710-R716 HydrophobicContact CD2-CB 4.32Å; L710-R716 HydrophobicContact CG-CB 4.29Å; L710-V720 HydrophobicContact CD2-CG2 4.29Å; L710-A770 CarbonylContact O-C 3.53Å; L710-A770 WeakPolarHBondContact O-CA 3.38Å; L710-A770 VanDerWaalsContact O-CB 3.25Å; L710-A770 WeakPolarHBondContact O-CB 3.21Å; L710-A771 PolarHBondContact N-O 3.36Å; L710-A771 PolarHBondContact O-N 3.25Å; L710-V773 HydrophobicContact CB-CG2 3.67Å; L710-Y789 HydrophobicContact CD2-CD1 3.75Å; L710-Y789 HydrophobicContact CD2-CE1 3.77Å |
| 711 | R | 86.9 | Confident | 84.3 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 66% | 0.664 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 138.4 | 170.7 | -73.5 | -174.9 | 175.8 | -167 | -3.5 | 109.9 | D713 | R711-D713 WeakPolarHBondContact CB-OD2 3.35Å; R711-D713 WeakPolarHBondContact CD-OD2 3.35Å; R711-D713 PolarHBondContact O-N 3.23Å |
| 712 | M | 84.3 | Confident | 85.8 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | trans | -81.7 | 42.4 | 176.4 | -66.6 | 173.3 | 64.2 | 0 | 0 | 111.3 | L717 E769 F791 P792 | M712-L717 HydrophobicContact CB-CD2 4.35Å; M712-L717 HydrophobicContact CG-CD2 4.37Å; M712-E769 PolarHBondContact N-O 3.31Å; M712-F791 HydrophobicContact CE-CD1 4.22Å; M712-F791 HydrophobicContact SD-CD1 4.39Å; M712-P792 HydrophobicContact SD-CG 3.88Å | ||
| 713 | D | 87.9 | Confident | 86.4 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | trans | -67.6 | 138.7 | 170.2 | -52.8 | -47.3 | 0 | 0 | 0 | 108.3 | R711 A715 R716 L717 | R711-D713 WeakPolarHBondContact CB-OD2 3.35Å; R711-D713 WeakPolarHBondContact CD-OD2 3.35Å; R711-D713 PolarHBondContact O-N 3.23Å; D713-A715 VanDerWaalsContact C-N 3.27Å; D713-A715 PolarHBondContact O-N 2.95Å; D713-A715 VanDerWaalsContact O-N 3.1Å; D713-R716 WeakPolarHBondContact O-CB 3.39Å; D713-R716 PolarHBondContact O-N 2.92Å; D713-L717 PolarHBondContact O-N 2.85Å | ||
| 714 | Q | 87.1 | Confident | 86.7 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -49.4 | -45.4 | -173.8 | -175.2 | 60.6 | 41.5 | 0 | 0 | 113.2 | R716 L717 D718 | Q714-R716 PolarHBondContact O-N 2.81Å; Q714-R716 VanDerWaalsContact O-N 3.11Å; Q714-L717 WeakPolarHBondContact O-CA 3.45Å; Q714-L717 WeakPolarHBondContact O-CB 3.41Å; Q714-L717 PolarHBondContact O-N 3.07Å; Q714-D718 PolarHBondContact NE2-OD1 3.12Å; Q714-D718 PolarHBondContact O-N 3.27Å |
| 715 | A | 87.5 | Confident | 86.6 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.3 | -24.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D713 E719 | D713-A715 VanDerWaalsContact C-N 3.27Å; D713-A715 PolarHBondContact O-N 2.95Å; D713-A715 VanDerWaalsContact O-N 3.1Å; A715-E719 WeakPolarHBondContact O-CB 3.36Å; A715-E719 PolarHBondContact O-N 3.22Å |
| 716 | R | 86.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 81.1 Ų | 81.1 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -85.6 | -33 | 174 | -68.2 | -57.9 | -163.6 | 164.5 | 3.4 | 112.4 | L710 D713 Q714 D718 E719 V720 | L710-R716 HydrophobicContact CD1-CB 4.08Å; L710-R716 HydrophobicContact CD1-CG 3.87Å; L710-R716 HydrophobicContact CD2-CB 4.32Å; L710-R716 HydrophobicContact CG-CB 4.29Å; D713-R716 WeakPolarHBondContact O-CB 3.39Å; D713-R716 PolarHBondContact O-N 2.92Å; Q714-R716 PolarHBondContact O-N 2.81Å; Q714-R716 VanDerWaalsContact O-N 3.11Å; R716-D718 VanDerWaalsContact C-N 3.34Å; R716-E719 WeakPolarHBondContact CD-OE2 3.4Å; R716-E719 IonicContact CZ-OE2 2.66Å; R716-E719 IonicContact NE-OE2 3.4Å; R716-E719 IonicContact NH1-OE1 3.58Å; R716-E719 IonicContact NH1-OE2 2.67Å; R716-E719 PolarHBondContact NH1-OE2 3.25Å; R716-E719 PolarHBondContact O-N 2.91Å; R716-V720 WeakPolarHBondContact O-CG2 3.32Å; R716-V720 PolarHBondContact O-N 2.83Å; R716-V720 VanDerWaalsContact O-N 3.09Å |
| 717 | L | 87.4 | Confident | 85.2 | Confident | 19 Ų | 19 | 81.5 Ų | 81.5 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 169.4 | -59.1 | 177.8 | 0 | 0 | 0 | 110.2 | M712 D713 Q714 E719 V720 A721 F791 F796 | M712-L717 HydrophobicContact CB-CD2 4.35Å; M712-L717 HydrophobicContact CG-CD2 4.37Å; D713-L717 PolarHBondContact O-N 2.85Å; Q714-L717 WeakPolarHBondContact O-CA 3.45Å; Q714-L717 WeakPolarHBondContact O-CB 3.41Å; Q714-L717 PolarHBondContact O-N 3.07Å; L717-E719 VanDerWaalsContact C-N 3.33Å; L717-E719 PolarHBondContact O-N 2.83Å; L717-V720 PolarHBondContact O-N 3Å; L717-A721 VanDerWaalsContact O-CB 3.23Å; L717-A721 WeakPolarHBondContact O-CB 3.34Å; L717-A721 PolarHBondContact O-N 3.02Å; L717-F791 HydrophobicContact CD2-CD1 4.37Å; L717-F791 HydrophobicContact CD2-CE1 3.68Å; L717-F791 HydrophobicContact CD2-CZ 4.49Å; L717-F796 HydrophobicContact CB-CD2 4.39Å; L717-F796 HydrophobicContact CD1-CB 4.36Å; L717-F796 HydrophobicContact CD2-CB 4.3Å; L717-F796 HydrophobicContact CD2-CD1 4.26Å; L717-F796 HydrophobicContact CD2-CD2 4.45Å; L717-F796 HydrophobicContact CD2-CG 4.08Å |
| 718 | D | 87.8 | Confident | 84.5 | Confident | 68 Ų | 68 | 87 Ų | 87 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 174.4 | -63 | -27.5 | 0 | 0 | 0 | 112.5 | Q714 R716 R722 | Q714-D718 PolarHBondContact NE2-OD1 3.12Å; Q714-D718 PolarHBondContact O-N 3.27Å; R716-D718 VanDerWaalsContact C-N 3.34Å; D718-R722 WeakPolarHBondContact O-CB 3.43Å; D718-R722 PolarHBondContact O-N 2.95Å |
| 719 | E | 86.6 | Confident | 83.3 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 175.3 | -172.7 | -168.8 | 157.9 | 0 | 0 | 111.4 | A715 R716 L717 R722 R723 | A715-E719 WeakPolarHBondContact O-CB 3.36Å; A715-E719 PolarHBondContact O-N 3.22Å; R716-E719 WeakPolarHBondContact CD-OE2 3.4Å; R716-E719 IonicContact CZ-OE2 2.66Å; R716-E719 IonicContact NE-OE2 3.4Å; R716-E719 IonicContact NH1-OE1 3.58Å; R716-E719 IonicContact NH1-OE2 2.67Å; R716-E719 PolarHBondContact NH1-OE2 3.25Å; R716-E719 PolarHBondContact O-N 2.91Å; L717-E719 VanDerWaalsContact C-N 3.33Å; L717-E719 PolarHBondContact O-N 2.83Å; E719-R722 PolarHBondContact O-N 2.85Å; E719-R723 PolarHBondContact O-N 2.81Å; E719-R723 IonicContact OE1-CZ 3.34Å; E719-R723 IonicContact OE1-NH1 2.73Å; E719-R723 PolarHBondContact OE1-NH1 2.95Å; E719-R723 IonicContact OE1-NH2 3.05Å; E719-R723 PolarHBondContact OE1-NH2 3.35Å |
| 720 | V | 86.1 | Confident | 82.4 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 177.5 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L710 R716 L717 R722 R723 I724 Y789 F791 F796 V819 | L710-V720 HydrophobicContact CD2-CG2 4.29Å; R716-V720 WeakPolarHBondContact O-CG2 3.32Å; R716-V720 PolarHBondContact O-N 2.83Å; R716-V720 VanDerWaalsContact O-N 3.09Å; L717-V720 PolarHBondContact O-N 3Å; V720-R722 PolarHBondContact O-N 3.48Å; V720-R723 PolarHBondContact O-N 3.41Å; V720-R723 VanDerWaalsContact O-N 3.11Å; V720-I724 HydrophobicContact CG1-CD1 4.36Å; V720-I724 WeakPolarHBondContact O-CG1 3.26Å; V720-I724 PolarHBondContact O-N 2.84Å; V720-Y789 HydrophobicContact CG2-CD1 4.45Å; V720-Y789 HydrophobicContact CG2-CD2 4.45Å; V720-Y789 HydrophobicContact CG2-CE1 4.39Å; V720-Y789 HydrophobicContact CG2-CE2 4.37Å; V720-Y789 HydrophobicContact CG2-CG 4.48Å; V720-F791 HydrophobicContact CG1-CE2 4.3Å; V720-F791 HydrophobicContact CG1-CZ 4.15Å; V720-F791 HydrophobicContact CG2-CZ 4.42Å; V720-F796 HydrophobicContact CG1-CZ 4.23Å; V720-V819 HydrophobicContact CG1-CB 4.5Å; V720-V819 HydrophobicContact CG1-CG1 3.95Å |
| 721 | A | 88 | Confident | 81.9 | Confident | 24 Ų | 24 | 83.4 Ų | 83.4 | 20% | 0.198 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.2 | -36.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L717 K725 F796 | L717-A721 VanDerWaalsContact O-CB 3.23Å; L717-A721 WeakPolarHBondContact O-CB 3.34Å; L717-A721 PolarHBondContact O-N 3.02Å; A721-K725 WeakPolarHBondContact O-CB 3.3Å; A721-K725 WeakPolarHBondContact O-CG 3.36Å; A721-K725 PolarHBondContact O-N 2.98Å; A721-F796 HydrophobicContact CB-CE2 4.23Å |
| 722 | R | 85.8 | Confident | 81.9 | Confident | 146 Ų | 146 | 75.8 Ų | 75.8 | 55% | 0.551 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71 | -39.4 | 174.4 | -165.1 | -172.2 | -49.2 | 138.5 | 11.7 | 111.9 | D718 E719 V720 I724 K725 L726 | D718-R722 WeakPolarHBondContact O-CB 3.43Å; D718-R722 PolarHBondContact O-N 2.95Å; E719-R722 PolarHBondContact O-N 2.85Å; V720-R722 PolarHBondContact O-N 3.48Å; R722-I724 VanDerWaalsContact C-N 3.35Å; R722-K725 PolarHBondContact O-N 2.84Å; R722-L726 HydrophobicContact CG-CD1 3.84Å; R722-L726 HydrophobicContact CG-CG 4.21Å; R722-L726 VanDerWaalsContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CB 3.41Å; R722-L726 VanDerWaalsContact O-CG 3.31Å; R722-L726 WeakPolarHBondContact O-CG 3.45Å; R722-L726 PolarHBondContact O-N 2.67Å |
| 723 | R | 82.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 172.5 | -74.9 | -162 | -177.6 | 91.1 | 9.6 | 112.3 | E719 V720 G727 V821 | E719-R723 PolarHBondContact O-N 2.81Å; E719-R723 IonicContact OE1-CZ 3.34Å; E719-R723 IonicContact OE1-NH1 2.73Å; E719-R723 PolarHBondContact OE1-NH1 2.95Å; E719-R723 IonicContact OE1-NH2 3.05Å; E719-R723 PolarHBondContact OE1-NH2 3.35Å; V720-R723 PolarHBondContact O-N 3.41Å; V720-R723 VanDerWaalsContact O-N 3.11Å; R723-G727 PolarHBondContact O-N 3.14Å; R723-V821 HydrophobicContact CB-CB 4.29Å; R723-V821 HydrophobicContact CB-CG1 4.15Å; R723-V821 HydrophobicContact CB-CG2 4.26Å |
| 724 | I | 86 | Confident | 82.2 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.9 | -52.4 | 171.8 | -62.1 | 165.6 | 0 | 0 | 0 | 110 | V720 R722 L726 G727 F732 I734 F796 F800 V819 V821 | V720-I724 HydrophobicContact CG1-CD1 4.36Å; V720-I724 WeakPolarHBondContact O-CG1 3.26Å; V720-I724 PolarHBondContact O-N 2.84Å; R722-I724 VanDerWaalsContact C-N 3.35Å; I724-L726 PolarHBondContact O-N 3.2Å; I724-G727 PolarHBondContact O-N 3.24Å; I724-F732 HydrophobicContact CG2-CD1 4.41Å; I724-F732 HydrophobicContact CG2-CD2 4.11Å; I724-F732 HydrophobicContact CG2-CE1 4.27Å; I724-F732 HydrophobicContact CG2-CE2 3.97Å; I724-F732 HydrophobicContact CG2-CG 4.33Å; I724-F732 HydrophobicContact CG2-CZ 4.04Å; I724-I734 HydrophobicContact CD1-CD1 4.11Å; I724-I734 HydrophobicContact CG2-CD1 4.22Å; I724-F796 HydrophobicContact CD1-CZ 4.43Å; I724-F800 HydrophobicContact CD1-CE1 4.31Å; I724-F800 HydrophobicContact CD1-CZ 3.9Å; I724-V819 HydrophobicContact CD1-CG1 3.8Å; I724-V819 HydrophobicContact CD1-CG2 4.25Å; I724-V819 HydrophobicContact CG1-CG1 3.87Å; I724-V821 HydrophobicContact CG1-CG1 4.24Å |
| 725 | K | 83.2 | Confident | 82.4 | Confident | 181 Ų | 181 | 63.6 Ų | 63.6 | 79% | 0.787 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.1 | -26.8 | -176.2 | -71.7 | 176.2 | 179.9 | -178.1 | 0 | 115.2 | A721 R722 | A721-K725 WeakPolarHBondContact O-CB 3.3Å; A721-K725 WeakPolarHBondContact O-CG 3.36Å; A721-K725 PolarHBondContact O-N 2.98Å; R722-K725 PolarHBondContact O-N 2.84Å |
| 726 | L | 78 | Confident | 82.6 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -86.2 | -19.2 | 173.2 | -69.5 | 176.4 | 0 | 0 | 0 | 112.4 | R722 I724 | R722-L726 HydrophobicContact CG-CD1 3.84Å; R722-L726 HydrophobicContact CG-CG 4.21Å; R722-L726 VanDerWaalsContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CB 3.41Å; R722-L726 VanDerWaalsContact O-CG 3.31Å; R722-L726 WeakPolarHBondContact O-CG 3.45Å; R722-L726 PolarHBondContact O-N 2.67Å; I724-L726 PolarHBondContact O-N 3.2Å |
| 727 | G | 69.3 | Low | 82.9 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -68.2 | 136.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R723 I724 S731 | R723-G727 PolarHBondContact O-N 3.14Å; I724-G727 PolarHBondContact O-N 3.24Å; G727-S731 WeakPolarHBondContact CA-OG 3.46Å |
| 728 | R | 68.3 | Low | 83.1 | Confident | 200 Ų | 200 | 54 Ų | 54 | 76% | 0.755 | 26% | 0.263 | S | S | * | . | trans | -63.5 | 153.4 | 158.7 | -65.5 | -177.9 | -177.8 | -179.6 | 0.3 | 108.8 | D730 S731 F732 | R728-D730 PolarHBondContact O-N 3.34Å; R728-S731 PolarHBondContact N-OG 3.23Å; R728-S731 WeakPolarHBondContact O-CB 3.49Å; R728-S731 PolarHBondContact O-N 3.09Å; R728-S731 PolarHBondContact O-OG 2.98Å; R728-F732 WeakPolarHBondContact O-CD1 3.47Å | ||
| 729 | P | 64 | Low | 83.2 | Confident | 83 Ų | 83 | 54 Ų | 54 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -54.1 | -28.8 | -179.2 | 20.6 | -33.4 | 0 | 0 | 0 | 113.7 | G683 S731 | G683-P729 PolarHBondContact N-O 3.14Å; P729-S731 VanDerWaalsContact C-N 3.29Å; P729-S731 PolarHBondContact O-N 3.4Å |
| 730 | D | 68.7 | Low | 83 | Confident | 120 Ų | 120 | 52 Ų | 52 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -83.4 | 7.6 | 176.5 | -46.5 | -68.5 | 0 | 0 | 0 | 114.9 | Y686 R728 | Y686-D730 VanDerWaalsContact CB-O 3.27Å; Y686-D730 WeakPolarHBondContact CB-O 3.44Å; R728-D730 PolarHBondContact O-N 3.34Å |
| 731 | S | 78.3 | Confident | 82.6 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -123.5 | 0.6 | -175.5 | 68.7 | 0 | 0 | 0 | 0 | 114.4 | G727 R728 P729 N822 | G727-S731 WeakPolarHBondContact CA-OG 3.46Å; R728-S731 PolarHBondContact N-OG 3.23Å; R728-S731 WeakPolarHBondContact O-CB 3.49Å; R728-S731 PolarHBondContact O-N 3.09Å; R728-S731 PolarHBondContact O-OG 2.98Å; P729-S731 VanDerWaalsContact C-N 3.29Å; P729-S731 PolarHBondContact O-N 3.4Å; S731-N822 PolarHBondContact O-ND2 3.02Å |
| 732 | F | 86.5 | Confident | 81.6 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.5 | 167.4 | 71.4 | -96.1 | 0 | 0 | 0 | 110.7 | E681 G683 I724 R728 I734 I820 V821 | E681-F732 HydrophobicContact CG-CE2 4.29Å; G683-F732 PolarHBondContact N-O 3.11Å; I724-F732 HydrophobicContact CG2-CD1 4.41Å; I724-F732 HydrophobicContact CG2-CD2 4.11Å; I724-F732 HydrophobicContact CG2-CE1 4.27Å; I724-F732 HydrophobicContact CG2-CE2 3.97Å; I724-F732 HydrophobicContact CG2-CG 4.33Å; I724-F732 HydrophobicContact CG2-CZ 4.04Å; R728-F732 WeakPolarHBondContact O-CD1 3.47Å; F732-I734 HydrophobicContact CD2-CD1 4.3Å; F732-I734 HydrophobicContact CD2-CG1 3.94Å; F732-I734 HydrophobicContact CE2-CD1 4.16Å; F732-I734 HydrophobicContact CE2-CG1 4.15Å; F732-I820 CarbonylContact C-O 3.55Å; F732-I820 WeakPolarHBondContact CA-O 3.48Å; F732-I820 WeakPolarHBondContact CB-O 3.37Å; F732-V821 HydrophobicContact CB-CG1 3.92Å |
| 733 | A | 88.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y686 F687 I820 | Y686-A733 HydrophobicContact CD1-CB 4.37Å; F687-A733 HydrophobicContact CB-CB 4.24Å; A733-I820 PolarHBondContact N-O 2.92Å; A733-I820 PolarHBondContact O-N 2.85Å |
| 734 | I | 91 | Very high | 78.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.5 | 177.4 | -48.3 | -173 | 0 | 0 | 0 | 107.8 | L680 E681 I724 F732 F800 V817 I818 V819 | L680-I734 HydrophobicContact CB-CG2 4.49Å; L680-I734 WeakPolarHBondContact CB-O 3.34Å; L680-I734 HydrophobicContact CD1-CG2 4.27Å; L680-I734 PolarHBondContact N-O 3.1Å; E681-I734 HydrophobicContact CB-CB 4.12Å; E681-I734 HydrophobicContact CB-CD1 4.35Å; E681-I734 HydrophobicContact CB-CG1 4.36Å; E681-I734 PolarHBondContact N-O 3.18Å; E681-I734 VanDerWaalsContact N-O 3.15Å; E681-I734 PolarHBondContact O-N 2.83Å; I724-I734 HydrophobicContact CD1-CD1 4.11Å; I724-I734 HydrophobicContact CG2-CD1 4.22Å; F732-I734 HydrophobicContact CD2-CD1 4.3Å; F732-I734 HydrophobicContact CD2-CG1 3.94Å; F732-I734 HydrophobicContact CE2-CD1 4.16Å; F732-I734 HydrophobicContact CE2-CG1 4.15Å; I734-F800 HydrophobicContact CD1-CD1 3.47Å; I734-F800 VanDerWaalsContact CD1-CD1 3.47Å; I734-F800 HydrophobicContact CD1-CE1 3.41Å; I734-F800 VanDerWaalsContact CD1-CE1 3.41Å; I734-F800 HydrophobicContact CD1-CG 4.3Å; I734-F800 HydrophobicContact CD1-CZ 4.2Å; I734-F800 HydrophobicContact CG2-CB 4.12Å; I734-F800 HydrophobicContact CG2-CD1 4.16Å; I734-F800 HydrophobicContact CG2-CG 4.02Å; I734-V817 HydrophobicContact CG2-CG1 3.8Å; I734-I818 CarbonylContact C-O 3.52Å; I734-I818 WeakPolarHBondContact CA-O 3.46Å; I734-V819 HydrophobicContact CG2-CG2 4.37Å |
| 735 | L | 91.8 | Very high | 77 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.7 | -170.8 | -47 | 172.9 | 0 | 0 | 0 | 110.5 | L661 L677 F678 L679 F687 V817 I818 I820 | L661-L735 HydrophobicContact CD1-CD2 3.82Å; L677-L735 HydrophobicContact CB-CD1 4.32Å; L677-L735 HydrophobicContact CD1-CD1 4.03Å; F678-L735 CarbonylContact O-C 3.58Å; F678-L735 WeakPolarHBondContact O-CA 3.37Å; F678-L735 WeakPolarHBondContact O-CB 3.49Å; L679-L735 HydrophobicContact CD1-CD2 3.86Å; F687-L735 HydrophobicContact CD2-CD1 3.76Å; F687-L735 HydrophobicContact CE2-CD1 3.43Å; F687-L735 VanDerWaalsContact CE2-CD1 3.43Å; F687-L735 HydrophobicContact CZ-CD1 4.06Å; L735-V817 WeakPolarHBondContact O-CA 3.48Å; L735-I818 HydrophobicContact CB-CB 4.28Å; L735-I818 PolarHBondContact N-O 2.68Å; L735-I818 PolarHBondContact O-N 3.05Å; L735-I820 HydrophobicContact CD1-CD1 3.89Å |
| 736 | L | 91.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.4 | 163.2 | 173.5 | 64.7 | 0 | 0 | 0 | 108.7 | L650 A654 L658 L677 F678 L680 L738 L801 H815 | L650-L736 HydrophobicContact CD2-CD1 4.14Å; L650-L736 HydrophobicContact CD2-CD2 3.52Å; L650-L736 HydrophobicContact CD2-CG 4.4Å; A654-L736 HydrophobicContact CB-CD2 3.8Å; L658-L736 HydrophobicContact CD1-CB 4.43Å; L658-L736 HydrophobicContact CD1-CD2 3.82Å; L677-L736 WeakPolarHBondContact CA-O 3.18Å; F678-L736 HydrophobicContact CB-CB 4.39Å; F678-L736 PolarHBondContact N-O 2.78Å; F678-L736 PolarHBondContact O-N 3.34Å; L680-L736 HydrophobicContact CD1-CB 3.94Å; L680-L736 HydrophobicContact CD2-CB 4.07Å; L680-L736 HydrophobicContact CG-CB 3.9Å; L736-L738 HydrophobicContact CD1-CD2 3.99Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 HydrophobicContact CD2-CD1 4.08Å; L736-L738 HydrophobicContact CD2-CD2 4.36Å; L736-L738 HydrophobicContact CD2-CG 4.23Å; L736-L738 HydrophobicContact CG-CD1 4.4Å; L736-L738 HydrophobicContact CG-CD2 4.12Å; L736-L738 HydrophobicContact CG-CG 4.01Å; L736-L801 HydrophobicContact CD1-CD2 4.32Å; L736-H815 HydrophobicContact CD1-CB 3.99Å |
| 737 | A | 92.1 | Very high | 74.1 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | T675 D676 L677 H815 M816 I818 | T675-A737 HydrophobicContact CG2-CB 3.84Å; D676-A737 WeakPolarHBondContact O-CA 3.27Å; L677-A737 HydrophobicContact CD2-CB 3.37Å; A737-H815 CarbonylContact O-C 3.58Å; A737-H815 WeakPolarHBondContact O-CA 3.43Å; A737-M816 HydrophobicContact CB-CB 4.04Å; A737-M816 PolarHBondContact N-O 3.04Å; A737-M816 PolarHBondContact O-N 3.05Å; A737-I818 HydrophobicContact CB-CD1 3.84Å; A737-I818 HydrophobicContact CB-CG1 3.95Å |
| 738 | L | 91.2 | Very high | 73.1 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 163.8 | -176.2 | -61.7 | 179.4 | 0 | 0 | 0 | 112 | L650 A654 T675 D676 F678 L736 G740 L758 H815 | L650-L738 HydrophobicContact CD2-CD1 4.3Å; L650-L738 HydrophobicContact CD2-CD2 3.94Å; A654-L738 HydrophobicContact CB-CD1 3.48Å; A654-L738 VanDerWaalsContact CB-CD1 3.48Å; T675-L738 WeakPolarHBondContact CA-O 3.46Å; D676-L738 PolarHBondContact N-O 2.84Å; D676-L738 PolarHBondContact O-N 2.82Å; F678-L738 HydrophobicContact CD2-CD1 4.2Å; F678-L738 HydrophobicContact CD2-CG 4.46Å; F678-L738 HydrophobicContact CE2-CB 4.3Å; F678-L738 HydrophobicContact CE2-CD1 3.92Å; F678-L738 HydrophobicContact CE2-CG 4.34Å; L736-L738 HydrophobicContact CD1-CD2 3.99Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 HydrophobicContact CD2-CD1 4.08Å; L736-L738 HydrophobicContact CD2-CD2 4.36Å; L736-L738 HydrophobicContact CD2-CG 4.23Å; L736-L738 HydrophobicContact CG-CD1 4.4Å; L736-L738 HydrophobicContact CG-CD2 4.12Å; L736-L738 HydrophobicContact CG-CG 4.01Å; L738-G740 PolarHBondContact O-N 2.95Å; L738-L758 VanDerWaalsContact C-CD2 3.42Å; L738-H815 HydrophobicContact CD2-CB 3.61Å |
| 739 | Q | 89.9 | Confident | 72.5 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 105.8 | 178.3 | 176.9 | 58.5 | 76.6 | 0 | 0 | 110.8 | P674 L757 | P674-Q739 PolarHBondContact O-NE2 3.11Å; Q739-L757 HydrophobicContact CG-CD2 4.46Å; Q739-L757 VanDerWaalsContact OE1-CA 3.3Å |
| 740 | G | 83.3 | Confident | 71.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | trans | -74.5 | 157.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P674 D676 L738 V742 | P674-G740 PolarHBondContact O-N 3.31Å; D676-G740 VanDerWaalsContact OD2-CA 3.29Å; D676-G740 WeakPolarHBondContact OD2-CA 3.31Å; L738-G740 PolarHBondContact O-N 2.95Å; G740-V742 PolarHBondContact O-N 3.33Å | ||
| 741 | P | 77.2 | Confident | 71 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | trans | -58.9 | 134.2 | 179.8 | -25 | 33.8 | 0 | 0 | 0 | 112.7 | D676 D743 | D676-P741 WeakPolarHBondContact OD2-CD 3.31Å; P741-D743 VanDerWaalsContact C-N 3.32Å | ||
| 742 | V | 68.1 | Low | 70.1 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | trans | -87.8 | -3.2 | -175.2 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | P674 G740 V755 L757 | P674-V742 HydrophobicContact CG-CG2 4.1Å; G740-V742 PolarHBondContact O-N 3.33Å; V742-V755 HydrophobicContact CG1-CG1 4.04Å; V742-L757 HydrophobicContact CG2-CD2 3.75Å | ||
| 743 | D | 60.5 | Low | 69.3 | Low | 119 Ų | 119 | 64.6 Ų | 64.6 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.7 | 156.6 | -166.1 | -151.1 | -11.3 | 0 | 0 | 0 | 114.4 | P741 Q745 A746 | P741-D743 VanDerWaalsContact C-N 3.32Å; D743-Q745 PolarHBondContact O-N 3.36Å; D743-A746 PolarHBondContact O-N 2.96Å |
| 744 | R | 50.3 | Low | 68.9 | Low | 249 Ų | 249 | 69.8 Ų | 69.8 | 94% | 0.94 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -2.3 | -167.3 | -69.8 | -177.9 | 170.8 | -178.5 | -1.7 | 115.9 | ||
| 745 | Q | 46.1 | Very low | 68.6 | Low | 190 Ų | 190 | 72.7 Ų | 72.7 | 89% | 0.888 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.8 | -179.7 | -67.3 | -173.6 | -15.6 | 0 | 0 | 114.3 | D743 | D743-Q745 PolarHBondContact O-N 3.36Š|
| 746 | A | 50.4 | Low | 68.3 | Low | 28 Ų | 28 | 77.8 Ų | 77.8 | 23% | 0.231 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -67.7 | 147.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | F665 D743 | F665-A746 HydrophobicContact CE2-CB 4.26Å; F665-A746 HydrophobicContact CZ-CB 3.7Å; D743-A746 PolarHBondContact O-N 2.96Å |
| 747 | P | 48.9 | Very low | 68.2 | Low | 79 Ų | 79 | 80.3 Ų | 80.3 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -59.1 | 150 | 178.1 | 24.9 | -34.3 | 0 | 0 | 0 | 111.9 | L749 | P747-L749 PolarHBondContact O-N 2.91Š|
| 748 | G | 49.6 | Very low | 68.1 | Low | 71 Ų | 71 | 80.3 Ų | 80.3 | 73% | 0.732 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -47.3 | 124.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 749 | L | 53.9 | Low | 68 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 36% | 0.356 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -90 | 131.6 | 172.2 | -78.3 | 154 | 0 | 0 | 0 | 110.7 | F665 P747 V755 | F665-L749 HydrophobicContact CD1-CD2 4.09Å; F665-L749 HydrophobicContact CD2-CD2 4.16Å; F665-L749 HydrophobicContact CE1-CD1 3.97Å; F665-L749 HydrophobicContact CE1-CD2 3.96Å; F665-L749 HydrophobicContact CE1-CG 4.34Å; F665-L749 HydrophobicContact CE2-CD2 4.03Å; F665-L749 HydrophobicContact CE2-CG 4.24Å; F665-L749 HydrophobicContact CG-CD2 4.19Å; F665-L749 HydrophobicContact CZ-CD1 3.8Å; F665-L749 HydrophobicContact CZ-CD2 3.92Å; F665-L749 HydrophobicContact CZ-CG 3.96Å; P747-L749 PolarHBondContact O-N 2.91Å; L749-V755 HydrophobicContact CD1-CG2 3.54Å |
| 750 | E | 53.2 | Low | 68.1 | Low | 99 Ų | 99 | 86.3 Ų | 86.3 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -52 | 134.3 | 176.1 | -78.8 | -77.4 | 104.4 | 0 | 0 | 112.9 | Q700 G752 L753 | Q700-E750 PolarHBondContact NE2-OE1 3.44Å; E750-G752 PolarHBondContact O-N 2.79Å; E750-L753 HydrophobicContact CB-CD1 4.45Å; E750-L753 PolarHBondContact O-N 3Å |
| 751 | P | 48.7 | Very low | 68.5 | Low | 129 Ų | 129 | 86.3 Ų | 86.3 | 84% | 0.838 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 100.7 | -177.4 | 27.9 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 752 | G | 60.6 | Low | 69.2 | Low | 66 Ų | 66 | 83.4 Ų | 83.4 | 68% | 0.68 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 139.8 | -12.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E750 | E750-G752 PolarHBondContact O-N 2.79Š|
| 753 | L | 69.8 | Low | 70.4 | Confident | 41 Ų | 41 | 82.2 Ų | 82.2 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | trans | -83.1 | 124.2 | 173.3 | -66.4 | 178.8 | 0 | 0 | 0 | 111.1 | K669 E750 V755 | K669-L753 WeakPolarHBondContact O-CD2 3.41Å; E750-L753 HydrophobicContact CB-CD1 4.45Å; E750-L753 PolarHBondContact O-N 3Å; L753-V755 PolarHBondContact O-N 2.85Å | ||
| 754 | Q | 79.2 | Confident | 71.9 | Confident | 110 Ų | 110 | 80.2 Ų | 80.2 | 51% | 0.514 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.9 | 173.7 | -67.4 | -176 | -8.6 | 0 | 0 | 110.1 | N670 S671 S672 R756 | N670-Q754 PolarHBondContact O-N 3.23Å; S671-Q754 CarbonylContact C-O 3.47Å; S671-Q754 VanDerWaalsContact CA-O 3.28Å; S671-Q754 WeakPolarHBondContact CA-O 3.48Å; S672-Q754 PolarHBondContact N-O 3.3Å; Q754-R756 PolarHBondContact O-N 3.03Å |
| 755 | V | 83.8 | Confident | 73.9 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 131.5 | 168.7 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | S672 P674 V742 L749 L753 | S672-V755 CarbonylContact O-C 3.59Å; S672-V755 WeakPolarHBondContact O-CA 3.35Å; P674-V755 HydrophobicContact CG-CG1 4.29Å; V742-V755 HydrophobicContact CG1-CG1 4.04Å; L749-V755 HydrophobicContact CD1-CG2 3.54Å; L753-V755 PolarHBondContact O-N 2.85Å |
| 756 | R | 86 | Confident | 76 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 40% | 0.404 | 36% | 0.358 | S | S | . | . | trans | -141.6 | 150.6 | -179 | -68.8 | -174.8 | 180 | -149.8 | -0.8 | 109.8 | S671 S672 F673 P674 Q754 | S671-R756 PolarHBondContact OG-NE 3.17Å; S672-R756 PolarHBondContact O-N 2.89Å; F673-R756 WeakPolarHBondContact CA-O 3.33Å; F673-R756 HydrophobicContact CD1-CB 3.9Å; F673-R756 WeakPolarHBondContact CD1-O 3.19Å; F673-R756 HydrophobicContact CE1-CB 3.68Å; P674-R756 WeakPolarHBondContact CD-O 3.14Å; Q754-R756 PolarHBondContact O-N 3.03Å | ||
| 757 | L | 89.3 | Confident | 78 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 28% | 0.277 | 38% | 0.375 | S | S | . | . | trans | -61.5 | 144.1 | 174.9 | -65.2 | 169.4 | 0 | 0 | 0 | 111.4 | F673 Q739 V742 R759 H760 | F673-L757 WeakPolarHBondContact CD1-O 3.33Å; Q739-L757 HydrophobicContact CG-CD2 4.46Å; Q739-L757 VanDerWaalsContact OE1-CA 3.3Å; V742-L757 HydrophobicContact CG2-CD2 3.75Å; L757-R759 HydrophobicContact CB-CG 3.88Å; L757-R759 PolarHBondContact O-N 3.28Å; L757-R759 VanDerWaalsContact O-N 3.17Å; L757-H760 WeakPolarHBondContact O-CB 3.42Å; L757-H760 PolarHBondContact O-N 3.05Å | ||
| 758 | L | 90 | Very high | 79.9 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53.8 | -35.3 | -179.9 | 179.5 | 61.5 | 0 | 0 | 0 | 111.9 | T675 L738 H760 L761 V762 M816 | T675-L758 HydrophobicContact CG2-CD2 4.24Å; L738-L758 VanDerWaalsContact C-CD2 3.42Å; L758-H760 PolarHBondContact O-N 2.73Å; L758-L761 HydrophobicContact CD1-CB 4.41Å; L758-L761 HydrophobicContact CD1-CD2 4.17Å; L758-L761 WeakPolarHBondContact O-CA 3.5Å; L758-L761 WeakPolarHBondContact O-CB 3.22Å; L758-L761 PolarHBondContact O-N 3.42Å; L758-V762 HydrophobicContact CG-CG2 4.28Å; L758-V762 PolarHBondContact O-N 3.19Å; L758-M816 HydrophobicContact CD1-SD 4.02Å |
| 759 | R | 90 | Very high | 81.9 | Confident | 123 Ų | 123 | 74.1 Ų | 74.1 | 46% | 0.464 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -46.7 | -39.1 | 172.5 | 74.2 | 177.1 | 71.2 | 155.9 | -2.1 | 112.7 | L757 L761 V762 T763 E814 | L757-R759 HydrophobicContact CB-CG 3.88Å; L757-R759 PolarHBondContact O-N 3.28Å; L757-R759 VanDerWaalsContact O-N 3.17Å; R759-L761 VanDerWaalsContact C-N 3.32Å; R759-L761 PolarHBondContact O-N 3.12Å; R759-V762 WeakPolarHBondContact O-CB 3.46Å; R759-V762 PolarHBondContact O-N 3.08Å; R759-T763 PolarHBondContact O-N 2.98Å; R759-T763 PolarHBondContact O-OG1 2.67Å; R759-E814 HydrophobicContact CB-CB 3.91Å; R759-E814 HydrophobicContact CB-CG 3.6Å |
| 760 | H | 92 | Very high | 83.7 | Confident | 77 Ų | 77 | 71 Ų | 71 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.5 | -27.8 | -179.9 | -62.6 | 155.1 | 0 | 0 | 0 | 113.3 | F673 L757 L758 Y764 | F673-H760 HydrophobicContact CE1-CB 4.05Å; L757-H760 WeakPolarHBondContact O-CB 3.42Å; L757-H760 PolarHBondContact O-N 3.05Å; L758-H760 PolarHBondContact O-N 2.73Å; H760-Y764 VanDerWaalsContact O-CB 3.24Å; H760-Y764 WeakPolarHBondContact O-CB 3.25Å; H760-Y764 PolarHBondContact O-N 3.21Å |
| 761 | L | 91.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.8 | -42.6 | 169.7 | -179.9 | 61.6 | 0 | 0 | 0 | 110.7 | F666 L668 F673 I706 L758 R759 Y764 L765 M816 | F666-L761 HydrophobicContact CB-CD2 4.01Å; L668-L761 HydrophobicContact CD2-CD1 4.06Å; F673-L761 HydrophobicContact CD1-CB 3.93Å; F673-L761 HydrophobicContact CD2-CB 4.02Å; F673-L761 HydrophobicContact CD2-CD1 4.44Å; F673-L761 HydrophobicContact CD2-CD2 3.94Å; F673-L761 HydrophobicContact CD2-CG 4.36Å; F673-L761 HydrophobicContact CE1-CB 3.96Å; F673-L761 HydrophobicContact CE2-CB 4.06Å; F673-L761 HydrophobicContact CE2-CD1 4.11Å; F673-L761 HydrophobicContact CE2-CD2 4.43Å; F673-L761 HydrophobicContact CE2-CG 4.43Å; F673-L761 HydrophobicContact CG-CB 3.97Å; F673-L761 HydrophobicContact CG-CD2 4.29Å; F673-L761 HydrophobicContact CZ-CB 4.03Å; I706-L761 HydrophobicContact CD1-CD1 3.94Å; I706-L761 HydrophobicContact CD1-CD2 3.8Å; I706-L761 HydrophobicContact CD1-CG 4.48Å; L758-L761 HydrophobicContact CD1-CB 4.41Å; L758-L761 HydrophobicContact CD1-CD2 4.17Å; L758-L761 WeakPolarHBondContact O-CA 3.5Å; L758-L761 WeakPolarHBondContact O-CB 3.22Å; L758-L761 PolarHBondContact O-N 3.42Å; R759-L761 VanDerWaalsContact C-N 3.32Å; R759-L761 PolarHBondContact O-N 3.12Å; L761-Y764 PolarHBondContact O-N 3.35Å; L761-L765 HydrophobicContact CD1-CD1 4.02Å; L761-L765 HydrophobicContact CD1-CG 4.16Å; L761-L765 HydrophobicContact CG-CD1 4.05Å; L761-L765 WeakPolarHBondContact O-CB 3.39Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.47Å; L761-M816 HydrophobicContact CD2-SD 4.17Å; L761-M816 HydrophobicContact CG-SD 4.26Å |
| 762 | V | 92.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.9 | -54.8 | 175.5 | 178.7 | 0 | 0 | 0 | 0 | 111 | L758 R759 Y764 L765 R766 P792 P793 E814 M816 | L758-V762 HydrophobicContact CG-CG2 4.28Å; L758-V762 PolarHBondContact O-N 3.19Å; R759-V762 WeakPolarHBondContact O-CB 3.46Å; R759-V762 PolarHBondContact O-N 3.08Å; V762-Y764 VanDerWaalsContact C-N 3.31Å; V762-Y764 PolarHBondContact O-N 3.28Å; V762-L765 PolarHBondContact O-N 3.15Å; V762-R766 HydrophobicContact CG1-CG 4.42Å; V762-R766 WeakPolarHBondContact O-CB 3.44Å; V762-R766 WeakPolarHBondContact O-CG 3.37Å; V762-R766 PolarHBondContact O-N 3.47Å; V762-P792 HydrophobicContact CG1-CB 4.48Å; V762-P793 VanDerWaalsContact CG1-CD 3.4Å; V762-P793 HydrophobicContact CG1-CG 4Å; V762-E814 VanDerWaalsContact CG1-OE2 3.23Å; V762-E814 WeakPolarHBondContact CG1-OE2 3.47Å; V762-M816 HydrophobicContact CG2-CG 3.58Å; V762-M816 HydrophobicContact CG2-SD 3.96Å |
| 763 | T | 92.3 | Very high | 89.1 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 177.6 | -42.9 | 0 | 0 | 0 | 0 | 111.4 | R759 N767 | R759-T763 PolarHBondContact O-N 2.98Å; R759-T763 PolarHBondContact O-OG1 2.67Å; T763-N767 WeakPolarHBondContact O-CB 3.08Å; T763-N767 PolarHBondContact O-N 3.21Å; T763-N767 PolarHBondContact O-OD1 3.24Å |
| 764 | Y | 92.4 | Very high | 90.1 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177 | 171.3 | -96 | 0 | 0 | 0 | 112.6 | L668 H760 L761 V762 K768 | L668-Y764 HydrophobicContact CD2-CD1 3.65Å; L668-Y764 HydrophobicContact CD2-CE1 3.53Å; L668-Y764 HydrophobicContact CD2-CG 4.35Å; H760-Y764 VanDerWaalsContact O-CB 3.24Å; H760-Y764 WeakPolarHBondContact O-CB 3.25Å; H760-Y764 PolarHBondContact O-N 3.21Å; L761-Y764 PolarHBondContact O-N 3.35Å; V762-Y764 VanDerWaalsContact C-N 3.31Å; V762-Y764 PolarHBondContact O-N 3.28Å; Y764-K768 HydrophobicContact CD2-CG 4.43Å; Y764-K768 HydrophobicContact CE2-CG 4.07Å; Y764-K768 WeakPolarHBondContact O-CB 3.41Å; Y764-K768 WeakPolarHBondContact O-CG 3.47Å; Y764-K768 PolarHBondContact O-N 3.3Å |
| 765 | L | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.2 | -43 | -179.6 | -71.5 | 176.5 | 0 | 0 | 0 | 111.8 | L761 V762 K768 E769 A770 P792 M816 | L761-L765 HydrophobicContact CD1-CD1 4.02Å; L761-L765 HydrophobicContact CD1-CG 4.16Å; L761-L765 HydrophobicContact CG-CD1 4.05Å; L761-L765 WeakPolarHBondContact O-CB 3.39Å; L761-L765 WeakPolarHBondContact O-CG 3.33Å; L761-L765 PolarHBondContact O-N 3.47Å; V762-L765 PolarHBondContact O-N 3.15Å; L765-K768 CarbonylContact O-C 3.53Å; L765-K768 PolarHBondContact O-N 3.32Å; L765-K768 VanDerWaalsContact O-N 3.13Å; L765-E769 PolarHBondContact O-N 3.33Å; L765-E769 VanDerWaalsContact O-N 3.11Å; L765-A770 WeakPolarHBondContact CB-O 3.17Å; L765-A770 WeakPolarHBondContact CD2-O 3.42Å; L765-A770 PolarHBondContact O-N 3.4Å; L765-P792 HydrophobicContact CB-CB 4.08Å; L765-P792 HydrophobicContact CB-CG 3.96Å; L765-M816 HydrophobicContact CD1-CE 3.35Å; L765-M816 HydrophobicContact CD1-SD 4.32Å |
| 766 | R | 90.3 | Very high | 90.5 | Very high | 120 Ų | 120 | 50.4 Ų | 50.4 | 45% | 0.453 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.2 | -54.7 | 169.1 | -75.5 | -175.9 | 155.1 | 169.9 | -15.2 | 111.1 | V762 K768 E769 P792 P793 | V762-R766 HydrophobicContact CG1-CG 4.42Å; V762-R766 WeakPolarHBondContact O-CB 3.44Å; V762-R766 WeakPolarHBondContact O-CG 3.37Å; V762-R766 PolarHBondContact O-N 3.47Å; R766-K768 PolarHBondContact O-N 3.03Å; R766-E769 PolarHBondContact O-N 3.09Å; R766-P792 HydrophobicContact CG-CB 3.71Å; R766-P792 HydrophobicContact CG-CG 4.32Å; R766-P793 PolarHBondContact NE-O 3.31Å; R766-P793 VanDerWaalsContact NE-O 3.08Å; R766-P793 PolarHBondContact NH2-O 3.48Å |
| 767 | N | 92.7 | Very high | 89.8 | Confident | 107 Ų | 107 | 47.5 Ų | 47.5 | 57% | 0.572 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 2.5 | -179.3 | -65.6 | 3.9 | 0 | 0 | 0 | 113.7 | T763 | T763-N767 WeakPolarHBondContact O-CB 3.08Å; T763-N767 PolarHBondContact O-N 3.21Å; T763-N767 PolarHBondContact O-OD1 3.24Å |
| 768 | K | 90 | Very high | 88.7 | Confident | 98 Ų | 98 | 46.6 Ų | 46.6 | 43% | 0.426 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 5.9 | 176.2 | -67.9 | -73.4 | 150.4 | -84.1 | 0 | 112.8 | Y764 L765 R766 A770 | Y764-K768 HydrophobicContact CD2-CG 4.43Å; Y764-K768 HydrophobicContact CE2-CG 4.07Å; Y764-K768 WeakPolarHBondContact O-CB 3.41Å; Y764-K768 WeakPolarHBondContact O-CG 3.47Å; Y764-K768 PolarHBondContact O-N 3.3Å; L765-K768 CarbonylContact O-C 3.53Å; L765-K768 PolarHBondContact O-N 3.32Å; L765-K768 VanDerWaalsContact O-N 3.13Å; R766-K768 PolarHBondContact O-N 3.03Å; K768-A770 HydrophobicContact CB-CB 4.39Å; K768-A770 WeakPolarHBondContact O-CB 3.48Å; K768-A770 PolarHBondContact O-N 3.02Å |
| 769 | E | 90.8 | Very high | 87.1 | Confident | 162 Ų | 162 | 48.9 Ų | 48.9 | 76% | 0.757 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 45 | 178.7 | -62.3 | 167.9 | 152.5 | 0 | 0 | 111.1 | M712 L765 R766 | M712-E769 PolarHBondContact N-O 3.31Å; L765-E769 PolarHBondContact O-N 3.33Å; L765-E769 VanDerWaalsContact O-N 3.11Å; R766-E769 PolarHBondContact O-N 3.09Å |
| 770 | A | 92 | Very high | 85.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 144.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113 | R709 L710 L765 K768 | R709-A770 HydrophobicContact CB-CB 4.23Å; L710-A770 CarbonylContact O-C 3.53Å; L710-A770 WeakPolarHBondContact O-CA 3.38Å; L710-A770 VanDerWaalsContact O-CB 3.25Å; L710-A770 WeakPolarHBondContact O-CB 3.21Å; L765-A770 WeakPolarHBondContact CB-O 3.17Å; L765-A770 WeakPolarHBondContact CD2-O 3.42Å; L765-A770 PolarHBondContact O-N 3.4Å; K768-A770 HydrophobicContact CB-CB 4.39Å; K768-A770 WeakPolarHBondContact O-CB 3.48Å; K768-A770 PolarHBondContact O-N 3.02Å |
| 771 | A | 92.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 146.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R709 L710 A790 F791 | R709-A771 CarbonylContact C-O 3.42Å; R709-A771 WeakPolarHBondContact CA-O 3.48Å; L710-A771 PolarHBondContact N-O 3.36Å; L710-A771 PolarHBondContact O-N 3.25Å; A771-A790 CarbonylContact C-O 3.56Å; A771-A790 WeakPolarHBondContact CA-O 3.46Å; A771-F791 HydrophobicContact CB-CD1 3.59Å; A771-F791 HydrophobicContact CB-CE1 3.7Å; A771-F791 HydrophobicContact CB-CG 4.08Å; A771-F791 HydrophobicContact CB-CZ 4.3Å |
| 772 | G | 92 | Very high | 81.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 145.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y789 A790 | G772-Y789 CarbonylContact O-C 3.47Å; G772-Y789 WeakPolarHBondContact O-CA 3.47Å; G772-A790 PolarHBondContact N-O 3.37Å; G772-A790 PolarHBondContact O-N 3.32Å |
| 773 | V | 91.4 | Very high | 80.1 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | A707 Q708 L710 M787 L788 Y789 | A707-V773 PolarHBondContact N-O 2.77Å; Q708-V773 HydrophobicContact CB-CB 3.96Å; Q708-V773 HydrophobicContact CB-CG1 4.37Å; Q708-V773 PolarHBondContact N-O 3.09Å; Q708-V773 PolarHBondContact O-N 3.26Å; L710-V773 HydrophobicContact CB-CG2 3.67Å; V773-M787 HydrophobicContact CG1-CE 3.5Å; V773-M787 VanDerWaalsContact CG1-CE 3.5Å; V773-L788 WeakPolarHBondContact CA-O 3.27Å; V773-Y789 HydrophobicContact CG1-CE1 4.42Å; V773-Y789 HydrophobicContact CG2-CD1 3.83Å; V773-Y789 HydrophobicContact CG2-CE1 4.09Å |
| 774 | V | 90.3 | Very high | 78.7 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.7 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 108 | F666 L704 I706 L776 L788 | F666-V774 HydrophobicContact CE1-CG2 4.29Å; L704-V774 HydrophobicContact CD2-CG1 4.44Å; I706-V774 HydrophobicContact CB-CG2 4.49Å; I706-V774 HydrophobicContact CG1-CG2 3.88Å; V774-L776 HydrophobicContact CG1-CD2 3.8Å; V774-L788 HydrophobicContact CB-CB 4.2Å; V774-L788 HydrophobicContact CB-CD2 4.21Å; V774-L788 HydrophobicContact CG2-CD2 4.07Å; V774-L788 PolarHBondContact N-O 3.15Å; V774-L788 PolarHBondContact O-N 3.13Å |
| 775 | S | 86.1 | Confident | 77.7 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 43% | 0.427 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.4 | 171.1 | -57.1 | 0 | 0 | 0 | 0 | 109.3 | M787 | S775-M787 PolarHBondContact OG-SD 2.84Å |
| 776 | L | 84.5 | Confident | 77.4 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.4 | 178.8 | -55.2 | 176 | 0 | 0 | 0 | 108.2 | V690 L704 V774 A786 L788 | V690-L776 HydrophobicContact CG1-CB 3.79Å; V690-L776 HydrophobicContact CG1-CD1 3.56Å; V690-L776 HydrophobicContact CG1-CG 4.3Å; L704-L776 HydrophobicContact CD2-CD2 3.94Å; V774-L776 HydrophobicContact CG1-CD2 3.8Å; L776-A786 HydrophobicContact CB-CB 4.28Å; L776-A786 WeakPolarHBondContact CB-O 3.49Å; L776-A786 PolarHBondContact N-O 3.13Å; L776-A786 PolarHBondContact O-N 3.1Å; L776-L788 HydrophobicContact CD1-CB 4Å; L776-L788 HydrophobicContact CD1-CD1 4.16Å; L776-L788 HydrophobicContact CG-CB 4.4Å |
| 777 | P | 71.4 | Confident | 77.2 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | trans | -63.5 | 149.1 | -179.2 | 27.4 | -36.2 | 0 | 0 | 0 | 111.4 | L697 | L697-P777 HydrophobicContact CB-CG 4.31Å; L697-P777 HydrophobicContact CD1-CG 4.35Å; L697-P777 HydrophobicContact CD2-CB 4.1Å; L697-P777 HydrophobicContact CD2-CG 4.14Å | ||
| 778 | A | 65.8 | Low | 77.2 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | trans | -67.7 | 147.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K780 T783 P784 | A778-K780 VanDerWaalsContact C-N 3.27Å; A778-K780 PolarHBondContact O-N 3.43Å; A778-T783 WeakPolarHBondContact CB-O 3.48Å; A778-T783 WeakPolarHBondContact CB-OG1 3.19Å; A778-P784 WeakPolarHBondContact CB-O 3.37Å | ||
| 779 | A | 57.8 | Low | 77.3 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -68.7 | -22.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | D693 | D693-A779 HydrophobicContact CB-CB 4.31Å; D693-A779 WeakPolarHBondContact OD2-CB 3.47Å |
| 780 | K | 57.4 | Low | 77.4 | Confident | 157 Ų | 157 | 40.2 Ų | 40.2 | 68% | 0.683 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -144.3 | 147.6 | 179.6 | -61.2 | -176.6 | -178.6 | -179.3 | 0 | 110.5 | A778 G782 T783 | A778-K780 VanDerWaalsContact C-N 3.27Å; A778-K780 PolarHBondContact O-N 3.43Å; K780-G782 PolarHBondContact O-N 3.26Å; K780-T783 HydrophobicContact CB-CG2 4.24Å; K780-T783 PolarHBondContact N-OG1 3.01Å; K780-T783 PolarHBondContact O-N 3.43Å; K780-T783 PolarHBondContact O-OG1 3.06Å |
| 781 | E | 46.1 | Very low | 77.5 | Confident | 208 Ų | 208 | 40.2 Ų | 40.2 | 97% | 0.972 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 132.2 | 167.2 | -73.3 | -175.3 | 121.8 | 0 | 0 | 110.1 | ||
| 782 | G | 54.6 | Low | 77.5 | Confident | 89 Ų | 89 | 40.4 Ų | 40.4 | 92% | 0.918 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -5.6 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | K780 | K780-G782 PolarHBondContact O-N 3.26Š|
| 783 | T | 59.3 | Low | 77.3 | Confident | 64 Ų | 64 | 41 Ų | 41 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -86.5 | 146.5 | 166.4 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | A778 K780 | A778-T783 WeakPolarHBondContact CB-O 3.48Å; A778-T783 WeakPolarHBondContact CB-OG1 3.19Å; K780-T783 HydrophobicContact CB-CG2 4.24Å; K780-T783 PolarHBondContact N-OG1 3.01Å; K780-T783 PolarHBondContact O-N 3.43Å; K780-T783 PolarHBondContact O-OG1 3.06Å |
| 784 | P | 63 | Low | 77.1 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | trans | -62.1 | 151 | 172.6 | 27.8 | -35 | 0 | 0 | 0 | 110.4 | A778 T824 | A778-P784 WeakPolarHBondContact CB-O 3.37Å; P784-T824 HydrophobicContact CB-CG2 3.91Å; P784-T824 HydrophobicContact CG-CG2 3.77Å | ||
| 785 | G | 73 | Confident | 76.9 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | trans | -67.9 | -178.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | D823 | G785-D823 WeakPolarHBondContact O-CB 3.49Å; G785-D823 PolarHBondContact O-N 3.37Å | ||
| 786 | A | 83.5 | Confident | 76.9 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V690 L776 I820 V821 | V690-A786 HydrophobicContact CG1-CB 3.62Å; V690-A786 HydrophobicContact CG2-CB 4.21Å; L776-A786 HydrophobicContact CB-CB 4.28Å; L776-A786 WeakPolarHBondContact CB-O 3.49Å; L776-A786 PolarHBondContact N-O 3.13Å; L776-A786 PolarHBondContact O-N 3.1Å; A786-I820 HydrophobicContact CB-CG2 4.45Å; A786-V821 WeakPolarHBondContact CA-O 3.33Å |
| 787 | M | 87.3 | Confident | 77.1 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.7 | -178.2 | -69.6 | -67.3 | -82.3 | 0 | 0 | 109.7 | V773 S775 Y789 I820 V821 D823 | V773-M787 HydrophobicContact CG1-CE 3.5Å; V773-M787 VanDerWaalsContact CG1-CE 3.5Å; S775-M787 PolarHBondContact OG-SD 2.84Å; M787-Y789 HydrophobicContact CB-CD2 4.44Å; M787-Y789 HydrophobicContact CB-CE2 3.6Å; M787-I820 WeakPolarHBondContact O-CA 3.47Å; M787-V821 PolarHBondContact N-O 3.2Å; M787-V821 PolarHBondContact O-N 3.41Å; M787-V821 VanDerWaalsContact O-N 3.12Å; M787-D823 HydrophobicContact CG-CB 3.97Å |
| 788 | L | 91.3 | Very high | 77.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.8 | 177.7 | -179.5 | 163.9 | 0 | 0 | 0 | 108.8 | F666 L704 V773 V774 L776 A790 I818 I820 | F666-L788 HydrophobicContact CE1-CD2 4.07Å; F666-L788 HydrophobicContact CZ-CD2 4.41Å; L704-L788 HydrophobicContact CD1-CD1 4.02Å; V773-L788 WeakPolarHBondContact CA-O 3.27Å; V774-L788 HydrophobicContact CB-CB 4.2Å; V774-L788 HydrophobicContact CB-CD2 4.21Å; V774-L788 HydrophobicContact CG2-CD2 4.07Å; V774-L788 PolarHBondContact N-O 3.15Å; V774-L788 PolarHBondContact O-N 3.13Å; L776-L788 HydrophobicContact CD1-CB 4Å; L776-L788 HydrophobicContact CD1-CD1 4.16Å; L776-L788 HydrophobicContact CG-CB 4.4Å; L788-A790 HydrophobicContact CD2-CB 4.27Å; L788-I818 HydrophobicContact CD1-CG2 4.03Å; L788-I818 HydrophobicContact CD2-CG2 3.55Å; L788-I818 HydrophobicContact CG-CG2 3.5Å; L788-I818 VanDerWaalsContact CG-CG2 3.5Å; L788-I820 HydrophobicContact CB-CG1 3.91Å; L788-I820 HydrophobicContact CD1-CD1 3.9Å; L788-I820 HydrophobicContact CD1-CG1 3.97Å; L788-I820 HydrophobicContact CG-CD1 4.23Å; L788-I820 HydrophobicContact CG-CG1 3.73Å |
| 789 | Y | 92.3 | Very high | 78.8 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 115.8 | 178.3 | -58.5 | -87.1 | 0 | 0 | 0 | 109.4 | L710 V720 G772 V773 M787 F791 I818 V819 V821 | L710-Y789 HydrophobicContact CD2-CD1 3.75Å; L710-Y789 HydrophobicContact CD2-CE1 3.77Å; V720-Y789 HydrophobicContact CG2-CD1 4.45Å; V720-Y789 HydrophobicContact CG2-CD2 4.45Å; V720-Y789 HydrophobicContact CG2-CE1 4.39Å; V720-Y789 HydrophobicContact CG2-CE2 4.37Å; V720-Y789 HydrophobicContact CG2-CG 4.48Å; G772-Y789 CarbonylContact O-C 3.47Å; G772-Y789 WeakPolarHBondContact O-CA 3.47Å; V773-Y789 HydrophobicContact CG1-CE1 4.42Å; V773-Y789 HydrophobicContact CG2-CD1 3.83Å; V773-Y789 HydrophobicContact CG2-CE1 4.09Å; M787-Y789 HydrophobicContact CB-CD2 4.44Å; M787-Y789 HydrophobicContact CB-CE2 3.6Å; Y789-F791 VanDerWaalsContact CB-CE2 3.44Å; Y789-F791 HydrophobicContact CG-CE2 4.42Å; Y789-I818 CarbonylContact O-C 3.59Å; Y789-I818 WeakPolarHBondContact O-CA 3.41Å; Y789-V819 PolarHBondContact N-O 3.17Å; Y789-V819 PolarHBondContact O-N 3.48Å; Y789-V821 HydrophobicContact CD2-CG2 4.22Å; Y789-V821 HydrophobicContact CE2-CG2 3.69Å |
| 790 | A | 93.9 | Very high | 80.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 99.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A771 G772 L788 M816 I818 | A771-A790 CarbonylContact C-O 3.56Å; A771-A790 WeakPolarHBondContact CA-O 3.46Å; G772-A790 PolarHBondContact N-O 3.37Å; G772-A790 PolarHBondContact O-N 3.32Å; L788-A790 HydrophobicContact CD2-CB 4.27Å; A790-M816 HydrophobicContact CB-CE 3.64Å; A790-M816 WeakPolarHBondContact O-CE 3.47Å; A790-I818 HydrophobicContact CB-CD1 4.36Å; A790-I818 HydrophobicContact CB-CG1 4.23Å |
| 791 | F | 93.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.1 | -176.6 | -66.3 | -86.7 | 0 | 0 | 0 | 111.7 | M712 L717 V720 A771 Y789 F796 M816 V817 V819 | M712-F791 HydrophobicContact CE-CD1 4.22Å; M712-F791 HydrophobicContact SD-CD1 4.39Å; L717-F791 HydrophobicContact CD2-CD1 4.37Å; L717-F791 HydrophobicContact CD2-CE1 3.68Å; L717-F791 HydrophobicContact CD2-CZ 4.49Å; V720-F791 HydrophobicContact CG1-CE2 4.3Å; V720-F791 HydrophobicContact CG1-CZ 4.15Å; V720-F791 HydrophobicContact CG2-CZ 4.42Å; A771-F791 HydrophobicContact CB-CD1 3.59Å; A771-F791 HydrophobicContact CB-CE1 3.7Å; A771-F791 HydrophobicContact CB-CG 4.08Å; A771-F791 HydrophobicContact CB-CZ 4.3Å; Y789-F791 VanDerWaalsContact CB-CE2 3.44Å; Y789-F791 HydrophobicContact CG-CE2 4.42Å; F791-F796 AromaticContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CE1 4.22Å; F791-F796 HydrophobicContact CD2-CD1 4.22Å; F791-F796 AromaticContact CD2-CE1 3.9Å; F791-F796 HydrophobicContact CD2-CE1 3.9Å; F791-F796 AromaticContact CE1-CD1 3.95Å; F791-F796 HydrophobicContact CE1-CD1 3.95Å; F791-F796 AromaticContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE2-CD1 4.25Å; F791-F796 AromaticContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CG-CD1 4.04Å; F791-F796 HydrophobicContact CG-CE1 4.2Å; F791-F796 HydrophobicContact CZ-CD1 4.13Å; F791-F796 AromaticContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CZ 4.47Å; F791-M816 WeakPolarHBondContact O-CA 3.45Å; F791-M816 WeakPolarHBondContact O-CB 3.31Å; F791-V817 WeakPolarHBondContact CB-O 3.49Å; F791-V817 PolarHBondContact N-O 2.68Å; F791-V817 PolarHBondContact O-N 2.85Å; F791-V819 HydrophobicContact CD2-CG2 4.16Å; F791-V819 HydrophobicContact CE2-CB 4.12Å; F791-V819 HydrophobicContact CE2-CG2 3.96Å |
| 792 | P | 92.3 | Very high | 83.2 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -68 | 164.6 | 166.5 | 30.9 | -34.8 | 0 | 0 | 0 | 111.4 | M712 V762 L765 R766 G794 | M712-P792 HydrophobicContact SD-CG 3.88Å; V762-P792 HydrophobicContact CG1-CB 4.48Å; L765-P792 HydrophobicContact CB-CB 4.08Å; L765-P792 HydrophobicContact CB-CG 3.96Å; R766-P792 HydrophobicContact CG-CB 3.71Å; R766-P792 HydrophobicContact CG-CG 4.32Å; P792-G794 PolarHBondContact O-N 2.98Å |
| 793 | P | 89 | Confident | 84.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -68.4 | 119.9 | 179.8 | 5.1 | 2.1 | 0 | 0 | 0 | 112.3 | V762 R766 S797 H815 | V762-P793 VanDerWaalsContact CG1-CD 3.4Å; V762-P793 HydrophobicContact CG1-CG 4Å; R766-P793 PolarHBondContact NE-O 3.31Å; R766-P793 VanDerWaalsContact NE-O 3.08Å; R766-P793 PolarHBondContact NH2-O 3.48Å; P793-S797 WeakPolarHBondContact CA-OG 3.46Å; P793-H815 WeakPolarHBondContact CD-O 3.47Å; P793-H815 VanDerWaalsContact CG-O 3.27Å; P793-H815 WeakPolarHBondContact CG-O 3.34Å |
| 794 | G | 85.8 | Confident | 85.3 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 22% | 0.216 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -166.3 | -173.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | P792 F796 S797 Q798 | P792-G794 PolarHBondContact O-N 2.98Å; G794-F796 VanDerWaalsContact C-N 3.34Å; G794-F796 PolarHBondContact O-N 3.3Å; G794-S797 PolarHBondContact N-OG 3.2Å; G794-S797 PolarHBondContact O-N 2.95Å; G794-S797 VanDerWaalsContact O-N 3.14Å; G794-S797 PolarHBondContact O-OG 3.13Å; G794-Q798 VanDerWaalsContact O-CG 3.3Å; G794-Q798 WeakPolarHBondContact O-CG 3.49Å; G794-Q798 PolarHBondContact O-N 3.39Å |
| 795 | E | 86.1 | Confident | 86.1 | Confident | 167 Ų | 167 | 34.9 Ų | 34.9 | 78% | 0.78 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -54.8 | -44.6 | -171.2 | -61.5 | -173.1 | 155.8 | 0 | 0 | 113.8 | Q798 | E795-Q798 PolarHBondContact O-N 2.91Å |
| 796 | F | 87.6 | Confident | 86.4 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.7 | -179.9 | -104.1 | 0 | 0 | 0 | 112.7 | L717 V720 A721 I724 F791 G794 Q798 Q799 F800 V819 | L717-F796 HydrophobicContact CB-CD2 4.39Å; L717-F796 HydrophobicContact CD1-CB 4.36Å; L717-F796 HydrophobicContact CD2-CB 4.3Å; L717-F796 HydrophobicContact CD2-CD1 4.26Å; L717-F796 HydrophobicContact CD2-CD2 4.45Å; L717-F796 HydrophobicContact CD2-CG 4.08Å; V720-F796 HydrophobicContact CG1-CZ 4.23Å; A721-F796 HydrophobicContact CB-CE2 4.23Å; I724-F796 HydrophobicContact CD1-CZ 4.43Å; F791-F796 AromaticContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CD1 3.89Å; F791-F796 HydrophobicContact CD1-CE1 4.22Å; F791-F796 HydrophobicContact CD2-CD1 4.22Å; F791-F796 AromaticContact CD2-CE1 3.9Å; F791-F796 HydrophobicContact CD2-CE1 3.9Å; F791-F796 AromaticContact CE1-CD1 3.95Å; F791-F796 HydrophobicContact CE1-CD1 3.95Å; F791-F796 AromaticContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE1-CE1 3.97Å; F791-F796 HydrophobicContact CE2-CD1 4.25Å; F791-F796 AromaticContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CE2-CE1 3.61Å; F791-F796 HydrophobicContact CG-CD1 4.04Å; F791-F796 HydrophobicContact CG-CE1 4.2Å; F791-F796 HydrophobicContact CZ-CD1 4.13Å; F791-F796 AromaticContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CE1 3.66Å; F791-F796 HydrophobicContact CZ-CZ 4.47Å; G794-F796 VanDerWaalsContact C-N 3.34Å; G794-F796 PolarHBondContact O-N 3.3Å; F796-Q798 VanDerWaalsContact C-N 3.31Å; F796-Q798 PolarHBondContact O-N 3.26Å; F796-Q799 WeakPolarHBondContact O-CB 3.5Å; F796-Q799 PolarHBondContact O-N 3.49Å; F796-F800 HydrophobicContact CD1-CE2 4.27Å; F796-F800 HydrophobicContact CD2-CE2 4.47Å; F796-F800 AromaticContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE2-CE2 4.06Å; F796-F800 HydrophobicContact CE2-CZ 4.27Å; F796-F800 AromaticContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CZ 4.03Å; F796-F800 WeakPolarHBondContact O-CD2 3.18Å; F796-F800 WeakPolarHBondContact O-CE2 3.37Å; F796-V819 HydrophobicContact CE1-CG2 4.45Å |
| 797 | S | 87.4 | Confident | 86 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.4 | -32.2 | -178.4 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | P793 G794 Q799 F800 | P793-S797 WeakPolarHBondContact CA-OG 3.46Å; G794-S797 PolarHBondContact N-OG 3.2Å; G794-S797 PolarHBondContact O-N 2.95Å; G794-S797 VanDerWaalsContact O-N 3.14Å; G794-S797 PolarHBondContact O-OG 3.13Å; S797-Q799 PolarHBondContact O-N 3.11Å; S797-F800 PolarHBondContact O-N 3.35Å |
| 798 | Q | 87.4 | Confident | 85.5 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66 | -20.8 | 179.8 | -72.4 | 177.7 | 44.6 | 0 | 0 | 113.3 | G794 E795 F796 F800 L801 Q802 | G794-Q798 VanDerWaalsContact O-CG 3.3Å; G794-Q798 WeakPolarHBondContact O-CG 3.49Å; G794-Q798 PolarHBondContact O-N 3.39Å; E795-Q798 PolarHBondContact O-N 2.91Å; F796-Q798 VanDerWaalsContact C-N 3.31Å; F796-Q798 PolarHBondContact O-N 3.26Å; Q798-F800 VanDerWaalsContact C-N 3.32Å; Q798-F800 PolarHBondContact O-N 2.99Å; Q798-L801 PolarHBondContact O-N 3.03Å; Q798-Q802 WeakPolarHBondContact O-CG 3.49Å |
| 799 | Q | 86.7 | Confident | 84.3 | Confident | 122 Ų | 122 | 50.3 Ų | 50.3 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64 | -36.9 | 176.2 | -62.7 | 176.1 | 20 | 0 | 0 | 111.9 | F796 S797 L801 Q802 | F796-Q799 WeakPolarHBondContact O-CB 3.5Å; F796-Q799 PolarHBondContact O-N 3.49Å; S797-Q799 PolarHBondContact O-N 3.11Å; Q799-L801 VanDerWaalsContact C-N 3.35Å; Q799-Q802 WeakPolarHBondContact O-CG 3.42Å |
| 800 | F | 85.6 | Confident | 83.2 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 18% | 0.18 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.9 | 179.5 | -51.4 | -74.4 | 0 | 0 | 0 | 113.4 | L680 I724 I734 F796 S797 Q798 V817 | L680-F800 HydrophobicContact CD1-CB 4.39Å; I724-F800 HydrophobicContact CD1-CE1 4.31Å; I724-F800 HydrophobicContact CD1-CZ 3.9Å; I734-F800 HydrophobicContact CD1-CD1 3.47Å; I734-F800 VanDerWaalsContact CD1-CD1 3.47Å; I734-F800 HydrophobicContact CD1-CE1 3.41Å; I734-F800 VanDerWaalsContact CD1-CE1 3.41Å; I734-F800 HydrophobicContact CD1-CG 4.3Å; I734-F800 HydrophobicContact CD1-CZ 4.2Å; I734-F800 HydrophobicContact CG2-CB 4.12Å; I734-F800 HydrophobicContact CG2-CD1 4.16Å; I734-F800 HydrophobicContact CG2-CG 4.02Å; F796-F800 HydrophobicContact CD1-CE2 4.27Å; F796-F800 HydrophobicContact CD2-CE2 4.47Å; F796-F800 AromaticContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE1-CE2 3.85Å; F796-F800 HydrophobicContact CE2-CE2 4.06Å; F796-F800 HydrophobicContact CE2-CZ 4.27Å; F796-F800 AromaticContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CE2 3.74Å; F796-F800 HydrophobicContact CZ-CZ 4.03Å; F796-F800 WeakPolarHBondContact O-CD2 3.18Å; F796-F800 WeakPolarHBondContact O-CE2 3.37Å; S797-F800 PolarHBondContact O-N 3.35Å; Q798-F800 VanDerWaalsContact C-N 3.32Å; Q798-F800 PolarHBondContact O-N 2.99Å; F800-V817 HydrophobicContact CB-CG1 4.4Å; F800-V817 HydrophobicContact CD2-CG1 4.2Å |
| 801 | L | 84.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 7.4 | -176.6 | -98.3 | 155.8 | 0 | 0 | 0 | 113.4 | L680 L736 Q798 Q799 A803 A804 K805 L811 H815 V817 | L680-L801 HydrophobicContact CD1-CD2 3.42Å; L680-L801 VanDerWaalsContact CD1-CD2 3.42Å; L680-L801 HydrophobicContact CD2-CD2 4.11Å; L680-L801 HydrophobicContact CG-CD2 4.43Å; L736-L801 HydrophobicContact CD1-CD2 4.32Å; Q798-L801 PolarHBondContact O-N 3.03Å; Q799-L801 VanDerWaalsContact C-N 3.35Å; L801-A803 PolarHBondContact O-N 3.22Å; L801-A804 PolarHBondContact O-N 3.12Å; L801-A804 VanDerWaalsContact O-N 3.15Å; L801-K805 PolarHBondContact O-N 3.06Å; L801-L811 HydrophobicContact CB-CD1 4.16Å; L801-L811 HydrophobicContact CD1-CD1 4.32Å; L801-L811 HydrophobicContact CG-CD1 4.35Å; L801-H815 VanDerWaalsContact CD1-CD2 3.44Å; L801-H815 WeakPolarHBondContact CD1-CD2 3.4Å; L801-H815 VanDerWaalsContact CD1-NE2 3.33Å; L801-H815 WeakPolarHBondContact CD1-NE2 3.5Å; L801-V817 HydrophobicContact CD1-CG2 3.72Å; L801-V817 HydrophobicContact CD2-CG2 3.71Å; L801-V817 HydrophobicContact CG-CG2 4.37Å |
| 802 | Q | 82.8 | Confident | 80.8 | Confident | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -28.2 | -177.6 | -62 | -69.1 | 4.5 | 0 | 0 | 113.3 | Q798 Q799 R806 | Q798-Q802 WeakPolarHBondContact O-CG 3.49Å; Q799-Q802 WeakPolarHBondContact O-CG 3.42Å; Q802-R806 WeakPolarHBondContact O-CD 3.49Å; Q802-R806 VanDerWaalsContact O-CG 3.27Å; Q802-R806 WeakPolarHBondContact O-CG 3.23Å; Q802-R806 PolarHBondContact O-N 3.35Å |
| 803 | A | 79.3 | Confident | 80.1 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.8 | -54.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L801 K805 R806 T807 | L801-A803 PolarHBondContact O-N 3.22Å; A803-K805 VanDerWaalsContact C-N 3.3Å; A803-K805 PolarHBondContact O-N 3.36Å; A803-R806 WeakPolarHBondContact O-CB 3.15Å; A803-R806 PolarHBondContact O-N 3.49Å; A803-T807 PolarHBondContact O-N 3.4Å |
| 804 | A | 78.3 | Confident | 79.8 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.9 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F653 L801 R806 T807 V808 L811 | F653-A804 HydrophobicContact CD1-CB 3.89Å; F653-A804 HydrophobicContact CE1-CB 3.65Å; F653-A804 HydrophobicContact CZ-CB 4.26Å; L801-A804 PolarHBondContact O-N 3.12Å; L801-A804 VanDerWaalsContact O-N 3.15Å; A804-R806 VanDerWaalsContact C-N 3.3Å; A804-R806 PolarHBondContact O-N 3.01Å; A804-T807 PolarHBondContact O-N 3.25Å; A804-V808 WeakPolarHBondContact O-CB 3.31Å; A804-V808 PolarHBondContact O-N 3.33Å; A804-L811 HydrophobicContact CB-CD2 4.45Å |
| 805 | K | 80.3 | Confident | 79.9 | Confident | 62 Ų | 62 | 68 Ų | 68 | 27% | 0.27 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 173.5 | -76.7 | -167.9 | 173.6 | -167.9 | 0 | 113.3 | L801 A803 T807 G809 L811 | L801-K805 PolarHBondContact O-N 3.06Å; A803-K805 VanDerWaalsContact C-N 3.3Å; A803-K805 PolarHBondContact O-N 3.36Å; K805-T807 VanDerWaalsContact C-N 3.32Å; K805-G809 WeakPolarHBondContact O-CA 3.32Å; K805-G809 PolarHBondContact O-N 3.17Å; K805-L811 HydrophobicContact CD-CD1 4.48Å; K805-L811 HydrophobicContact CG-CD1 3.52Å; K805-L811 HydrophobicContact CG-CG 3.97Å |
| 806 | R | 79.4 | Confident | 80.2 | Confident | 216 Ų | 216 | 60.2 Ų | 60.2 | 82% | 0.815 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.4 | -26.7 | -179.1 | -72.6 | 167.3 | -176.4 | -174.5 | 1 | 112.9 | Q802 A803 A804 | Q802-R806 WeakPolarHBondContact O-CD 3.49Å; Q802-R806 VanDerWaalsContact O-CG 3.27Å; Q802-R806 WeakPolarHBondContact O-CG 3.23Å; Q802-R806 PolarHBondContact O-N 3.35Å; A803-R806 WeakPolarHBondContact O-CB 3.15Å; A803-R806 PolarHBondContact O-N 3.49Å; A804-R806 VanDerWaalsContact C-N 3.3Å; A804-R806 PolarHBondContact O-N 3.01Å |
| 807 | T | 75.3 | Confident | 80.4 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -94.3 | -42.2 | -178.2 | -50.1 | 0 | 0 | 0 | 0 | 112.8 | P647 F653 A803 A804 K805 | P647-T807 HydrophobicContact CG-CG2 3.86Å; F653-T807 HydrophobicContact CD2-CG2 3.81Å; F653-T807 HydrophobicContact CE2-CG2 4.07Å; A803-T807 PolarHBondContact O-N 3.4Å; A804-T807 PolarHBondContact O-N 3.25Å; K805-T807 VanDerWaalsContact C-N 3.32Å |
| 808 | V | 76.3 | Confident | 80.7 | Confident | 22 Ų | 22 | 59.6 Ų | 59.6 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -96 | -19.5 | -174.7 | -175 | 0 | 0 | 0 | 0 | 112.1 | F653 A804 N810 L811 | F653-V808 HydrophobicContact CB-CG2 3.61Å; F653-V808 HydrophobicContact CD2-CG2 4.36Å; F653-V808 HydrophobicContact CG-CG2 4.03Å; A804-V808 WeakPolarHBondContact O-CB 3.31Å; A804-V808 PolarHBondContact O-N 3.33Å; V808-N810 PolarHBondContact O-N 3.42Å; V808-L811 HydrophobicContact CB-CD2 4.37Å |
| 809 | G | 66.9 | Low | 80.9 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 63% | 0.629 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 74.9 | -64.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K805 | K805-G809 WeakPolarHBondContact O-CA 3.32Å; K805-G809 PolarHBondContact O-N 3.17Å |
| 810 | N | 68.7 | Low | 81 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 53% | 0.529 | 26% | 0.263 | S | S | . | . | trans | -112.7 | 125.3 | -174.6 | -163 | 3.2 | 0 | 0 | 0 | 111.7 | V808 E812 | V808-N810 PolarHBondContact O-N 3.42Å; N810-E812 HydrophobicContact CB-CG 4.41Å; N810-E812 VanDerWaalsContact CG-CG 3.4Å; N810-E812 VanDerWaalsContact ND2-CG 3.27Å; N810-E812 WeakPolarHBondContact ND2-CG 3.33Å; N810-E812 PolarHBondContact ND2-OE1 3.43Å; N810-E812 PolarHBondContact O-N 3.07Å; N810-E812 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 811 | L | 71.1 | Confident | 81.2 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | trans | -103.4 | 55.3 | -176 | -56.1 | -171.5 | 0 | 0 | 0 | 111.5 | L650 L801 A804 K805 V808 E813 | L650-L811 HydrophobicContact CD1-CB 4.05Å; L650-L811 HydrophobicContact CD1-CD2 3.79Å; L650-L811 HydrophobicContact CD1-CG 4.33Å; L650-L811 HydrophobicContact CG-CD2 3.92Å; L801-L811 HydrophobicContact CB-CD1 4.16Å; L801-L811 HydrophobicContact CD1-CD1 4.32Å; L801-L811 HydrophobicContact CG-CD1 4.35Å; A804-L811 HydrophobicContact CB-CD2 4.45Å; K805-L811 HydrophobicContact CD-CD1 4.48Å; K805-L811 HydrophobicContact CG-CD1 3.52Å; K805-L811 HydrophobicContact CG-CG 3.97Å; V808-L811 HydrophobicContact CB-CD2 4.37Å; L811-E813 VanDerWaalsContact C-N 3.27Å; L811-E813 PolarHBondContact O-N 3.14Å | ||
| 812 | E | 65.3 | Low | 81.1 | Confident | 158 Ų | 158 | 50.7 Ų | 50.7 | 74% | 0.738 | 27% | 0.266 | S | S | * | . | trans | -72 | -19.5 | -178.3 | -54 | -160.5 | 151.1 | 0 | 0 | 113.5 | N810 | N810-E812 HydrophobicContact CB-CG 4.41Å; N810-E812 VanDerWaalsContact CG-CG 3.4Å; N810-E812 VanDerWaalsContact ND2-CG 3.27Å; N810-E812 WeakPolarHBondContact ND2-CG 3.33Å; N810-E812 PolarHBondContact ND2-OE1 3.43Å; N810-E812 PolarHBondContact O-N 3.07Å; N810-E812 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 813 | E | 77.4 | Confident | 80.5 | Confident | 69 Ų | 69 | 50 Ų | 50 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -64.7 | 142.9 | 179.6 | -66.3 | -147.7 | 105.3 | 0 | 0 | 113 | T649 L650 S651 L811 H815 | T649-E813 HydrophobicContact CG2-CG 4.1Å; T649-E813 VanDerWaalsContact CG2-OE2 3.27Å; T649-E813 WeakPolarHBondContact CG2-OE2 3.2Å; L650-E813 HydrophobicContact CB-CB 4.14Å; L650-E813 HydrophobicContact CB-CG 4.13Å; L650-E813 WeakPolarHBondContact CB-OE2 3.15Å; L650-E813 HydrophobicContact CD1-CB 4.29Å; L650-E813 PolarHBondContact N-OE2 3.18Å; S651-E813 VanDerWaalsContact CB-OE2 3.26Å; S651-E813 WeakPolarHBondContact CB-OE2 3.49Å; S651-E813 PolarHBondContact N-OE2 3.4Å; S651-E813 PolarHBondContact OG-OE1 2.58Å; S651-E813 PolarHBondContact OG-OE2 3.46Å; L811-E813 VanDerWaalsContact C-N 3.27Å; L811-E813 PolarHBondContact O-N 3.14Å; E813-H815 PolarHBondContact O-N 2.89Å; E813-H815 PolarHBondContact O-ND1 3.12Å |
| 814 | E | 82.6 | Confident | 79.5 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | trans | -75 | 83.8 | -178.6 | -73.6 | -84 | -152.8 | 0 | 0 | 111.5 | R759 V762 | R759-E814 HydrophobicContact CB-CB 3.91Å; R759-E814 HydrophobicContact CB-CG 3.6Å; V762-E814 VanDerWaalsContact CG1-OE2 3.23Å; V762-E814 WeakPolarHBondContact CG1-OE2 3.47Å | ||
| 815 | H | 88.5 | Confident | 77.9 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -105.1 | 166.9 | -177.3 | 63.5 | -87 | 0 | 0 | 0 | 113.2 | L650 L736 A737 L738 P793 L801 E813 | L650-H815 HydrophobicContact CD1-CB 4.22Å; L736-H815 HydrophobicContact CD1-CB 3.99Å; A737-H815 CarbonylContact O-C 3.58Å; A737-H815 WeakPolarHBondContact O-CA 3.43Å; L738-H815 HydrophobicContact CD2-CB 3.61Å; P793-H815 WeakPolarHBondContact CD-O 3.47Å; P793-H815 VanDerWaalsContact CG-O 3.27Å; P793-H815 WeakPolarHBondContact CG-O 3.34Å; L801-H815 VanDerWaalsContact CD1-CD2 3.44Å; L801-H815 WeakPolarHBondContact CD1-CD2 3.4Å; L801-H815 VanDerWaalsContact CD1-NE2 3.33Å; L801-H815 WeakPolarHBondContact CD1-NE2 3.5Å; E813-H815 PolarHBondContact O-N 2.89Å; E813-H815 PolarHBondContact O-ND1 3.12Å | ||
| 816 | M | 91.9 | Very high | 77.8 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.3 | 166.1 | -66.3 | -178.1 | 62.7 | 0 | 0 | 110.3 | A737 L758 L761 V762 L765 A790 F791 | A737-M816 HydrophobicContact CB-CB 4.04Å; A737-M816 PolarHBondContact N-O 3.04Å; A737-M816 PolarHBondContact O-N 3.05Å; L758-M816 HydrophobicContact CD1-SD 4.02Å; L761-M816 HydrophobicContact CD2-SD 4.17Å; L761-M816 HydrophobicContact CG-SD 4.26Å; V762-M816 HydrophobicContact CG2-CG 3.58Å; V762-M816 HydrophobicContact CG2-SD 3.96Å; L765-M816 HydrophobicContact CD1-CE 3.35Å; L765-M816 HydrophobicContact CD1-SD 4.32Å; A790-M816 HydrophobicContact CB-CE 3.64Å; A790-M816 WeakPolarHBondContact O-CE 3.47Å; F791-M816 WeakPolarHBondContact O-CA 3.45Å; F791-M816 WeakPolarHBondContact O-CB 3.31Å |
| 817 | V | 92.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128 | 168.7 | 175.2 | 0 | 0 | 0 | 0 | 108.6 | I734 L735 F791 F800 L801 | I734-V817 HydrophobicContact CG2-CG1 3.8Å; L735-V817 WeakPolarHBondContact O-CA 3.48Å; F791-V817 WeakPolarHBondContact CB-O 3.49Å; F791-V817 PolarHBondContact N-O 2.68Å; F791-V817 PolarHBondContact O-N 2.85Å; F800-V817 HydrophobicContact CB-CG1 4.4Å; F800-V817 HydrophobicContact CD2-CG1 4.2Å; L801-V817 HydrophobicContact CD1-CG2 3.72Å; L801-V817 HydrophobicContact CD2-CG2 3.71Å; L801-V817 HydrophobicContact CG-CG2 4.37Å |
| 818 | I | 92.6 | Very high | 77.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126 | -179.9 | -56.9 | -166.6 | 0 | 0 | 0 | 109 | F666 L677 I734 L735 A737 L788 Y789 A790 I820 | F666-I818 HydrophobicContact CE1-CD1 4.31Å; F666-I818 HydrophobicContact CE2-CD1 3.63Å; F666-I818 HydrophobicContact CZ-CD1 3.34Å; L677-I818 HydrophobicContact CD1-CD1 4.46Å; L677-I818 HydrophobicContact CD2-CD1 3.63Å; L677-I818 HydrophobicContact CD2-CG1 4.49Å; I734-I818 CarbonylContact C-O 3.52Å; I734-I818 WeakPolarHBondContact CA-O 3.46Å; L735-I818 HydrophobicContact CB-CB 4.28Å; L735-I818 PolarHBondContact N-O 2.68Å; L735-I818 PolarHBondContact O-N 3.05Å; A737-I818 HydrophobicContact CB-CD1 3.84Å; A737-I818 HydrophobicContact CB-CG1 3.95Å; L788-I818 HydrophobicContact CD1-CG2 4.03Å; L788-I818 HydrophobicContact CD2-CG2 3.55Å; L788-I818 HydrophobicContact CG-CG2 3.5Å; L788-I818 VanDerWaalsContact CG-CG2 3.5Å; Y789-I818 CarbonylContact O-C 3.59Å; Y789-I818 WeakPolarHBondContact O-CA 3.41Å; A790-I818 HydrophobicContact CB-CD1 4.36Å; A790-I818 HydrophobicContact CB-CG1 4.23Å; I818-I820 HydrophobicContact CG2-CG1 4.2Å |
| 819 | V | 91.7 | Very high | 77.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.8 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | V720 I724 I734 Y789 F791 F796 V821 | V720-V819 HydrophobicContact CG1-CB 4.5Å; V720-V819 HydrophobicContact CG1-CG1 3.95Å; I724-V819 HydrophobicContact CD1-CG1 3.8Å; I724-V819 HydrophobicContact CD1-CG2 4.25Å; I724-V819 HydrophobicContact CG1-CG1 3.87Å; I734-V819 HydrophobicContact CG2-CG2 4.37Å; Y789-V819 PolarHBondContact N-O 3.17Å; Y789-V819 PolarHBondContact O-N 3.48Å; F791-V819 HydrophobicContact CD2-CG2 4.16Å; F791-V819 HydrophobicContact CE2-CB 4.12Å; F791-V819 HydrophobicContact CE2-CG2 3.96Å; F796-V819 HydrophobicContact CE1-CG2 4.45Å; V819-V821 HydrophobicContact CG1-CG1 4.05Å |
| 820 | I | 89.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124 | 175.2 | -60.6 | 165 | 0 | 0 | 0 | 107.9 | Y686 F687 F732 A733 L735 A786 M787 L788 I818 | Y686-I820 HydrophobicContact CE1-CG2 4.01Å; F687-I820 HydrophobicContact CD2-CD1 3.5Å; F687-I820 HydrophobicContact CE2-CD1 3.7Å; F732-I820 CarbonylContact C-O 3.55Å; F732-I820 WeakPolarHBondContact CA-O 3.48Å; F732-I820 WeakPolarHBondContact CB-O 3.37Å; A733-I820 PolarHBondContact N-O 2.92Å; A733-I820 PolarHBondContact O-N 2.85Å; L735-I820 HydrophobicContact CD1-CD1 3.89Å; A786-I820 HydrophobicContact CB-CG2 4.45Å; M787-I820 WeakPolarHBondContact O-CA 3.47Å; L788-I820 HydrophobicContact CB-CG1 3.91Å; L788-I820 HydrophobicContact CD1-CD1 3.9Å; L788-I820 HydrophobicContact CD1-CG1 3.97Å; L788-I820 HydrophobicContact CG-CD1 4.23Å; L788-I820 HydrophobicContact CG-CG1 3.73Å; I818-I820 HydrophobicContact CG2-CG1 4.2Å |
| 821 | V | 88.8 | Confident | 79.3 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.1 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 110 | R723 I724 F732 A786 M787 Y789 V819 | R723-V821 HydrophobicContact CB-CB 4.29Å; R723-V821 HydrophobicContact CB-CG1 4.15Å; R723-V821 HydrophobicContact CB-CG2 4.26Å; I724-V821 HydrophobicContact CG1-CG1 4.24Å; F732-V821 HydrophobicContact CB-CG1 3.92Å; A786-V821 WeakPolarHBondContact CA-O 3.33Å; M787-V821 PolarHBondContact N-O 3.2Å; M787-V821 PolarHBondContact O-N 3.41Å; M787-V821 VanDerWaalsContact O-N 3.12Å; Y789-V821 HydrophobicContact CD2-CG2 4.22Å; Y789-V821 HydrophobicContact CE2-CG2 3.69Å; V819-V821 HydrophobicContact CG1-CG1 4.05Å |
| 822 | N | 82.9 | Confident | 79.9 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 144.9 | 172.9 | -73.6 | -53.7 | 0 | 0 | 0 | 111.5 | Y686 S731 T824 | Y686-N822 PolarHBondContact OH-N 3.4Å; Y686-N822 PolarHBondContact OH-OD1 3.5Å; S731-N822 PolarHBondContact O-ND2 3.02Å; N822-T824 HydrophobicContact CB-CG2 4.34Å; N822-T824 PolarHBondContact O-N 3.27Å |
| 823 | D | 70.2 | Confident | 81 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | trans | -83.4 | 46.3 | 176 | -159.5 | 35.2 | 0 | 0 | 0 | 111.1 | G785 M787 | G785-D823 WeakPolarHBondContact O-CB 3.49Å; G785-D823 PolarHBondContact O-N 3.37Å; M787-D823 HydrophobicContact CG-CB 3.97Å | ||
| 824 | T | 58.6 | Low | 81.3 | Confident | 80 Ų | 80 | 40.9 Ų | 40.9 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | trans | -83.8 | 118.7 | 168.3 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | P784 N822 | P784-T824 HydrophobicContact CB-CG2 3.91Å; P784-T824 HydrophobicContact CG-CG2 3.77Å; N822-T824 HydrophobicContact CB-CG2 4.34Å; N822-T824 PolarHBondContact O-N 3.27Å | ||
| 825 | N | 44.9 | Very low | 81.2 | Confident | 212 Ų | 212 | 38.5 Ų | 38.5 | 100% | 1.134 | 21% | 0.211 | S | C | * | . | trans | -74.1 | 0 | 164.6 | -85.1 | -53 | 0 | 0 | 0 | 110.8 |
Retrieved 825 of 825 residues in 325.4 ms
(Link to these results)