| 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 | 36.7 | Very low | 38.8 | Very low | 243 Ų | 243 | 158.8 Ų | 158.8 | 100% | 1.197 | 85% | 0.847 | S | S | * | * | 0 | 54.8 | 0 | -62.7 | 167.5 | 171.5 | 0 | 0 | 111 | |||||
| 2 | I | 38.6 | Very low | 38.8 | Very low | 177 Ų | 177 | 160.8 Ų | 160.8 | 91% | 0.908 | 84% | 0.842 | S | S | * | * | trans | -145.4 | 66.8 | 173.8 | -48.9 | 179.1 | 0 | 0 | 0 | 109.1 | ||||
| 3 | A | 37.9 | Very low | 39.1 | Very low | 88 Ų | 88 | 157.5 Ų | 157.5 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -172.9 | 99.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 4 | D | 41.9 | Very low | 39 | Very low | 158 Ų | 158 | 155 Ų | 155 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 166.2 | 70.2 | 156.8 | -88.1 | -20.1 | 0 | 0 | 0 | 110.2 | ||||
| 5 | I | 48.2 | Very low | 38.8 | Very low | 179 Ų | 179 | 152.1 Ų | 152.1 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | trans | -136.8 | 89 | 162.7 | -55.7 | 178.7 | 0 | 0 | 0 | 107.8 | ||||
| 6 | S | 37.7 | Very low | 38.9 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 148.8 | 166.2 | 68.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 7 | K | 40.4 | Very low | 39.3 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 73 | 79.2 | -162.1 | -51.4 | 178.3 | 179.7 | -178.9 | 0 | 113.5 | ||||
| 8 | Y | 37 | Very low | 40 | Very low | 237 Ų | 237 | 143.1 Ų | 143.1 | 93% | 0.929 | 77% | 0.773 | S | S | * | * | trans | -143.2 | 88.3 | 141.7 | -112.3 | -77.2 | 0 | 0 | 0 | 106.2 | ||||
| 9 | D | 35.1 | Very low | 41.1 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -74.9 | 133.8 | 172.1 | -56.2 | -72.5 | 0 | 0 | 0 | 108.1 | ||||
| 10 | G | 37.5 | Very low | 42.9 | Very low | 50 Ų | 50 | 137.7 Ų | 137.7 | 52% | 0.515 | 74% | 0.743 | S | S | . | * | trans | 175.3 | 132.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | K12 | G10-K12 PolarHBondContact O-N 3.43Š| ||
| 11 | D | 36.3 | Very low | 44.8 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 92% | 0.92 | 71% | 0.708 | S | S | * | * | trans | -60.3 | 121.2 | -154.5 | -51.8 | -66.7 | 0 | 0 | 0 | 112.9 | ||||
| 12 | K | 38.3 | Very low | 47 | Very low | 182 Ų | 182 | 121.8 Ų | 121.8 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | trans | -131.7 | 95.4 | 176.2 | -74.6 | 177.5 | -176.2 | 172.9 | 0 | 108.9 | G10 T14 | G10-K12 PolarHBondContact O-N 3.43Å; K12-T14 PolarHBondContact O-N 3.42Å | ||
| 13 | E | 42.3 | Very low | 49.1 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 116.8 | 146.1 | -66.3 | -167.7 | 160.7 | 0 | 0 | 106.8 | P15 R201 | E13-P15 WeakPolarHBondContact O-CD 3.39Å; E13-P15 VanDerWaalsContact O-N 3.16Å; E13-R201 IonicContact OE1-CZ 3.22Å; E13-R201 VanDerWaalsContact OE1-CZ 3.28Å; E13-R201 IonicContact OE1-NH1 3.15Å; E13-R201 PolarHBondContact OE1-NH1 2.92Å; E13-R201 IonicContact OE1-NH2 4Å; E13-R201 PolarHBondContact OE1-NH2 3.17Å; E13-R201 IonicContact OE2-CZ 2.7Å; E13-R201 IonicContact OE2-NH2 2.63Å; E13-R201 PolarHBondContact OE2-NH2 3.47Å |
| 14 | T | 38.4 | Very low | 51.3 | Low | 122 Ų | 122 | 112 Ų | 112 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 118.9 | 176.8 | 45.9 | 0 | 0 | 0 | 0 | 107.1 | K12 | K12-T14 PolarHBondContact O-N 3.42Š|
| 15 | P | 35.3 | Very low | 53.5 | Low | 112 Ų | 112 | 106.8 Ų | 106.8 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 133.3 | -176.9 | 22.3 | -33 | 0 | 0 | 0 | 108.5 | E13 N17 | E13-P15 WeakPolarHBondContact O-CD 3.39Å; E13-P15 VanDerWaalsContact O-N 3.16Å; P15-N17 PolarHBondContact O-N 3.14Å |
| 16 | P | 40.8 | Very low | 55.4 | Low | 72 Ų | 72 | 99.7 Ų | 99.7 | 47% | 0.468 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 130.7 | -175.3 | 21.6 | -32.5 | 0 | 0 | 0 | 108.9 | P18 | P16-P18 WeakPolarHBondContact O-CD 3.39Š|
| 17 | N | 46.1 | Very low | 57.9 | Low | 116 Ų | 116 | 94.8 Ų | 94.8 | 62% | 0.62 | 50% | 0.503 | S | S | * | . | trans | -57.8 | 115.6 | -174.6 | -168.9 | 26.8 | 0 | 0 | 0 | 107.9 | P15 D19 D20 | P15-N17 PolarHBondContact O-N 3.14Å; N17-D19 PolarHBondContact O-N 2.81Å; N17-D20 WeakPolarHBondContact O-CB 3.1Å; N17-D20 PolarHBondContact O-N 3.28Å | ||
| 18 | P | 52.3 | Low | 60.3 | Low | 106 Ų | 106 | 86 Ų | 86 | 69% | 0.688 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -3.8 | -157.8 | 24.5 | -35.4 | 0 | 0 | 0 | 115.2 | P16 | P16-P18 WeakPolarHBondContact O-CD 3.39Š|
| 19 | D | 59.8 | Low | 62.8 | Low | 130 Ų | 130 | 75.2 Ų | 75.2 | 70% | 0.695 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -5.8 | 171.8 | -65.4 | -49.4 | 0 | 0 | 0 | 113.7 | N17 L21 | N17-D19 PolarHBondContact O-N 2.81Å; D19-L21 PolarHBondContact O-N 3.07Å |
| 20 | D | 78.4 | Confident | 65.5 | Low | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | trans | -81.4 | 104.5 | -179.4 | -166.3 | -14.3 | 0 | 0 | 0 | 112.2 | N17 R22 S23 Y51 | N17-D20 WeakPolarHBondContact O-CB 3.1Å; N17-D20 PolarHBondContact O-N 3.28Å; D20-R22 PolarHBondContact O-N 3.45Å; D20-R22 WeakPolarHBondContact OD1-CB 2.96Å; D20-R22 VanDerWaalsContact OD1-CG 3.26Å; D20-R22 WeakPolarHBondContact OD1-CG 3.31Å; D20-R22 PolarHBondContact OD1-N 2.75Å; D20-S23 PolarHBondContact O-N 2.67Å; D20-S23 VanDerWaalsContact O-N 3.17Å; D20-S23 PolarHBondContact O-OG 2.82Å; D20-Y51 WeakPolarHBondContact OD1-CE2 3.27Å | ||
| 21 | L | 82.1 | Confident | 68.1 | Low | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -46.5 | -32.4 | 173.8 | -69.3 | -176.5 | 0 | 0 | 0 | 115 | D19 S23 L24 F27 Y51 L54 A55 P140 V144 | D19-L21 PolarHBondContact O-N 3.07Å; L21-S23 PolarHBondContact O-N 2.72Å; L21-L24 HydrophobicContact CD2-CD1 3.92Å; L21-L24 WeakPolarHBondContact O-CB 3.08Å; L21-L24 WeakPolarHBondContact O-CG 3.47Å; L21-L24 PolarHBondContact O-N 2.72Å; L21-L24 VanDerWaalsContact O-N 3.16Å; L21-F27 VanDerWaalsContact O-CB 3.23Å; L21-F27 WeakPolarHBondContact O-CB 3.09Å; L21-Y51 HydrophobicContact CB-CD2 4.12Å; L21-Y51 HydrophobicContact CB-CE2 4.02Å; L21-Y51 HydrophobicContact CD1-CD2 4.47Å; L21-L54 HydrophobicContact CD1-CB 3.58Å; L21-A55 HydrophobicContact CD1-CB 4.07Å; L21-P140 HydrophobicContact CD1-CB 4.05Å; L21-P140 HydrophobicContact CD2-CB 3.43Å; L21-P140 VanDerWaalsContact CD2-CB 3.43Å; L21-P140 HydrophobicContact CG-CB 3.95Å; L21-V144 HydrophobicContact CD1-CG2 4.4Å; L21-V144 HydrophobicContact CD2-CG2 3.68Å |
| 22 | R | 83.8 | Confident | 70.6 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -71.6 | -22.1 | -172.2 | -52.5 | 167 | -172.2 | -178.7 | -4.5 | 112.3 | D20 L24 F27 Y51 Y200 L211 E214 | D20-R22 PolarHBondContact O-N 3.45Å; D20-R22 WeakPolarHBondContact OD1-CB 2.96Å; D20-R22 VanDerWaalsContact OD1-CG 3.26Å; D20-R22 WeakPolarHBondContact OD1-CG 3.31Å; D20-R22 PolarHBondContact OD1-N 2.75Å; R22-L24 PolarHBondContact O-N 3.2Å; R22-F27 HydrophobicContact CB-CD1 4.41Å; R22-F27 HydrophobicContact CB-CE1 4.28Å; R22-F27 HydrophobicContact CG-CE1 4.1Å; R22-Y51 HydrophobicContact CG-CD2 3.42Å; R22-Y51 VanDerWaalsContact CG-CD2 3.42Å; R22-Y51 HydrophobicContact CG-CE2 3.68Å; R22-Y51 HydrophobicContact CG-CG 4.29Å; R22-Y51 VanDerWaalsContact NE-CE2 3.31Å; R22-Y200 WeakPolarHBondContact O-CE1 3.09Å; R22-L211 HydrophobicContact CB-CD2 3.72Å; R22-E214 WeakPolarHBondContact CD-OE1 3.18Å; R22-E214 IonicContact CZ-OE1 2.62Å; R22-E214 IonicContact CZ-OE2 3.09Å; R22-E214 IonicContact NE-OE1 3.15Å; R22-E214 IonicContact NH1-OE1 2.75Å; R22-E214 PolarHBondContact NH1-OE1 3.19Å; R22-E214 IonicContact NH1-OE2 3.79Å; R22-E214 PolarHBondContact NH1-OE2 3.05Å |
| 23 | S | 82.3 | Confident | 73.1 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -74.6 | -11.2 | 173.8 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | D20 L21 | D20-S23 PolarHBondContact O-N 2.67Å; D20-S23 VanDerWaalsContact O-N 3.17Å; D20-S23 PolarHBondContact O-OG 2.82Å; L21-S23 PolarHBondContact O-N 2.72Å |
| 24 | L | 84.2 | Confident | 75.3 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | trans | -82.2 | 132.2 | -175.2 | -56.6 | 175.1 | 0 | 0 | 0 | 111.4 | L21 R22 D26 F27 A28 N141 | L21-L24 HydrophobicContact CD2-CD1 3.92Å; L21-L24 WeakPolarHBondContact O-CB 3.08Å; L21-L24 WeakPolarHBondContact O-CG 3.47Å; L21-L24 PolarHBondContact O-N 2.72Å; L21-L24 VanDerWaalsContact O-N 3.16Å; R22-L24 PolarHBondContact O-N 3.2Å; L24-D26 PolarHBondContact O-N 2.88Å; L24-F27 HydrophobicContact CB-CB 4.28Å; L24-F27 WeakPolarHBondContact O-CB 3.44Å; L24-F27 PolarHBondContact O-N 2.94Å; L24-A28 PolarHBondContact O-N 2.99Å; L24-N141 HydrophobicContact CD1-CB 3.89Å | ||
| 25 | P | 86.6 | Confident | 77.6 | Confident | 48 Ų | 48 | 42.1 Ų | 42.1 | 31% | 0.312 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.2 | -34.5 | 174.4 | 24.1 | -33.3 | 0 | 0 | 0 | 111.9 | F27 A28 A29 F209 | P25-F27 PolarHBondContact O-N 3.2Å; P25-F27 VanDerWaalsContact O-N 3.17Å; P25-A28 PolarHBondContact O-N 3.36Å; P25-A28 VanDerWaalsContact O-N 3.13Å; P25-A29 PolarHBondContact O-N 3.37Å; P25-F209 HydrophobicContact CB-CB 4.44Å; P25-F209 HydrophobicContact CB-CD1 4.05Å; P25-F209 HydrophobicContact CB-CG 4.28Å |
| 26 | D | 88.2 | Confident | 80 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.8 | -32.1 | 173.2 | -53 | -36.6 | 0 | 0 | 0 | 112.7 | L24 L30 V144 K145 L148 | L24-D26 PolarHBondContact O-N 2.88Å; D26-L30 WeakPolarHBondContact O-CG 3.16Å; D26-L30 PolarHBondContact O-N 3.32Å; D26-L30 VanDerWaalsContact O-N 3.16Å; D26-V144 HydrophobicContact CB-CG1 3.49Å; D26-V144 VanDerWaalsContact CB-CG1 3.49Å; D26-K145 HydrophobicContact CB-CG 4.46Å; D26-K145 WeakPolarHBondContact OD2-CE 3.39Å; D26-K145 VanDerWaalsContact OD2-CG 3.26Å; D26-K145 WeakPolarHBondContact OD2-CG 3.44Å; D26-L148 HydrophobicContact CB-CD2 4.21Å |
| 27 | F | 91.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.5 | -35.9 | 179 | -178.7 | -93.7 | 0 | 0 | 0 | 111.7 | L21 R22 L24 P25 A29 L30 C31 L50 L54 V144 Y198 | L21-F27 VanDerWaalsContact O-CB 3.23Å; L21-F27 WeakPolarHBondContact O-CB 3.09Å; R22-F27 HydrophobicContact CB-CD1 4.41Å; R22-F27 HydrophobicContact CB-CE1 4.28Å; R22-F27 HydrophobicContact CG-CE1 4.1Å; L24-F27 HydrophobicContact CB-CB 4.28Å; L24-F27 WeakPolarHBondContact O-CB 3.44Å; L24-F27 PolarHBondContact O-N 2.94Å; P25-F27 PolarHBondContact O-N 3.2Å; P25-F27 VanDerWaalsContact O-N 3.17Å; F27-A29 VanDerWaalsContact C-N 3.35Å; F27-L30 WeakPolarHBondContact O-CB 3.45Å; F27-L30 PolarHBondContact O-N 2.82Å; F27-C31 PolarHBondContact O-N 2.9Å; F27-C31 PolarHBondContact O-SG 3.14Å; F27-L50 HydrophobicContact CD2-CD2 4.36Å; F27-L50 HydrophobicContact CE2-CD2 3.78Å; F27-L50 HydrophobicContact CE2-CG 3.91Å; F27-L50 HydrophobicContact CZ-CD2 4.17Å; F27-L50 HydrophobicContact CZ-CG 4.47Å; F27-L54 HydrophobicContact CD2-CD1 4.27Å; F27-L54 HydrophobicContact CE2-CD1 4.25Å; F27-V144 HydrophobicContact CB-CG1 4.14Å; F27-V144 HydrophobicContact CD2-CG2 4.47Å; F27-Y198 HydrophobicContact CE1-CD2 4.44Å; F27-Y198 AromaticContact CE1-CE2 3.77Å; F27-Y198 HydrophobicContact CE1-CE2 3.77Å; F27-Y198 HydrophobicContact CZ-CE2 4.35Å |
| 28 | A | 90.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L24 P25 C31 S32 L190 Y200 F209 F1272 | L24-A28 PolarHBondContact O-N 2.99Å; P25-A28 PolarHBondContact O-N 3.36Å; P25-A28 VanDerWaalsContact O-N 3.13Å; A28-C31 WeakPolarHBondContact O-CB 3.49Å; A28-C31 PolarHBondContact O-N 3.09Å; A28-C31 VanDerWaalsContact O-N 3.15Å; A28-S32 PolarHBondContact O-N 3.2Å; A28-L190 WeakPolarHBondContact O-CD1 3.47Å; A28-Y200 HydrophobicContact CB-CD1 4.42Å; A28-Y200 HydrophobicContact CB-CD2 4.48Å; A28-Y200 HydrophobicContact CB-CE1 3.91Å; A28-Y200 HydrophobicContact CB-CE2 4Å; A28-F209 HydrophobicContact CB-CE1 3.49Å; A28-F209 VanDerWaalsContact CB-CE1 3.49Å; A28-F209 HydrophobicContact CB-CZ 3.86Å; A28-F1272 HydrophobicContact CB-CZ 4.35Å |
| 29 | A | 90 | Very high | 85.9 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P25 F27 C31 S32 F33 L148 F1272 | P25-A29 PolarHBondContact O-N 3.37Å; F27-A29 VanDerWaalsContact C-N 3.35Å; A29-C31 VanDerWaalsContact C-N 3.33Å; A29-C31 PolarHBondContact O-N 3.25Å; A29-S32 PolarHBondContact O-N 3.03Å; A29-F33 WeakPolarHBondContact O-CB 3.5Å; A29-F33 PolarHBondContact O-N 3.49Å; A29-L148 HydrophobicContact CB-CD1 4.11Å; A29-L148 HydrophobicContact CB-CD2 4.23Å; A29-F1272 HydrophobicContact CB-CZ 4.46Å |
| 30 | L | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 171.1 | -78.4 | -177.2 | 0 | 0 | 0 | 112.6 | D26 F27 L34 L50 L54 V144 L147 L148 L151 | D26-L30 WeakPolarHBondContact O-CG 3.16Å; D26-L30 PolarHBondContact O-N 3.32Å; D26-L30 VanDerWaalsContact O-N 3.16Å; F27-L30 WeakPolarHBondContact O-CB 3.45Å; F27-L30 PolarHBondContact O-N 2.82Å; L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 2.94Å; L30-L34 VanDerWaalsContact O-N 3.08Å; L30-L50 HydrophobicContact CB-CD2 4.11Å; L30-L50 HydrophobicContact CD1-CD2 4.49Å; L30-L54 HydrophobicContact CD1-CD1 3.99Å; L30-V144 HydrophobicContact CD1-CB 4.41Å; L30-V144 HydrophobicContact CD1-CG1 3.73Å; L30-V144 HydrophobicContact CG-CG1 4.38Å; L30-L147 HydrophobicContact CD1-CB 4.49Å; L30-L147 HydrophobicContact CD1-CD2 4.12Å; L30-L147 HydrophobicContact CD1-CG 4.47Å; L30-L147 HydrophobicContact CD2-CB 4.36Å; L30-L147 HydrophobicContact CD2-CD2 4.29Å; L30-L147 HydrophobicContact CD2-CG 3.98Å; L30-L148 HydrophobicContact CD2-CB 3.87Å; L30-L148 HydrophobicContact CD2-CD1 3.98Å; L30-L148 HydrophobicContact CG-CB 4.27Å; L30-L148 HydrophobicContact CG-CD1 4.34Å; L30-L151 HydrophobicContact CD2-CD1 3.66Å |
| 31 | C | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -48.7 | 178.8 | -76.6 | 0 | 0 | 0 | 0 | 111.6 | F27 A28 A29 L34 T35 F47 L190 | F27-C31 PolarHBondContact O-N 2.9Å; F27-C31 PolarHBondContact O-SG 3.14Å; A28-C31 WeakPolarHBondContact O-CB 3.49Å; A28-C31 PolarHBondContact O-N 3.09Å; A28-C31 VanDerWaalsContact O-N 3.15Å; A29-C31 VanDerWaalsContact C-N 3.33Å; A29-C31 PolarHBondContact O-N 3.25Å; C31-L34 PolarHBondContact O-N 3.04Å; C31-T35 PolarHBondContact O-N 3.5Å; C31-T35 PolarHBondContact O-OG1 2.66Å; C31-F47 HydrophobicContact CB-CD1 4Å; C31-F47 HydrophobicContact CB-CE1 3.62Å; C31-F47 HydrophobicContact CB-CZ 3.97Å; C31-F47 VanDerWaalsContact SG-CD1 3.54Å; C31-L190 HydrophobicContact CB-CD1 3.56Å |
| 32 | S | 89.1 | Confident | 87.8 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.8 | -50.1 | 176 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | A28 A29 L34 T35 F36 | A28-S32 PolarHBondContact O-N 3.2Å; A29-S32 PolarHBondContact O-N 3.03Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.06Å; S32-T35 PolarHBondContact O-N 3.49Å; S32-T35 VanDerWaalsContact O-N 3.09Å; S32-F36 WeakPolarHBondContact O-CD2 3.41Å; S32-F36 PolarHBondContact O-N 3Å |
| 33 | F | 90.6 | Very high | 87.9 | Confident | 17 Ų | 17 | 25.2 Ų | 25.2 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.8 | -43.5 | 177.5 | -177.8 | -75.2 | 0 | 0 | 0 | 111.9 | A29 F37 G38 L41 L151 F155 F161 | A29-F33 WeakPolarHBondContact O-CB 3.5Å; A29-F33 PolarHBondContact O-N 3.49Å; F33-F37 HydrophobicContact CD1-CB 4.32Å; F33-F37 HydrophobicContact CD2-CD2 4.2Å; F33-F37 HydrophobicContact CE1-CB 3.93Å; F33-F37 HydrophobicContact CE2-CB 4.45Å; F33-F37 HydrophobicContact CE2-CD2 4.35Å; F33-F37 HydrophobicContact CG-CD2 4.47Å; F33-F37 HydrophobicContact CZ-CB 4.01Å; F33-F37 WeakPolarHBondContact O-CA 3.45Å; F33-F37 WeakPolarHBondContact O-CB 3.42Å; F33-F37 PolarHBondContact O-N 3.29Å; F33-G38 PolarHBondContact O-N 3.07Å; F33-L41 HydrophobicContact CE1-CD1 3.72Å; F33-L41 HydrophobicContact CZ-CD1 3.85Å; F33-L151 HydrophobicContact CD1-CB 4.08Å; F33-L151 HydrophobicContact CD1-CD1 3.84Å; F33-L151 HydrophobicContact CD1-CD2 4.35Å; F33-L151 HydrophobicContact CD1-CG 4.31Å; F33-L151 HydrophobicContact CD2-CB 4.33Å; F33-L151 HydrophobicContact CE1-CB 3.82Å; F33-L151 HydrophobicContact CE1-CD1 4.1Å; F33-L151 HydrophobicContact CE1-CD2 3.77Å; F33-L151 HydrophobicContact CE1-CG 4.1Å; F33-L151 HydrophobicContact CE2-CB 4.02Å; F33-L151 HydrophobicContact CG-CB 4.37Å; F33-L151 HydrophobicContact CG-CD1 4.47Å; F33-L151 HydrophobicContact CZ-CB 3.78Å; F33-L151 HydrophobicContact CZ-CD2 4.28Å; F33-F155 HydrophobicContact CD2-CE2 4.08Å; F33-F155 HydrophobicContact CD2-CZ 4.36Å; F33-F155 HydrophobicContact CE2-CD2 4.37Å; F33-F155 AromaticContact CE2-CE2 3.54Å; F33-F155 HydrophobicContact CE2-CE2 3.54Å; F33-F155 AromaticContact CE2-CZ 3.81Å; F33-F155 HydrophobicContact CE2-CZ 3.81Å; F33-F161 HydrophobicContact CZ-CZ 4.08Å |
| 34 | L | 89.5 | Confident | 88 | Confident | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.4 | -36.4 | 179.7 | -73.4 | 176.1 | 0 | 0 | 0 | 112.7 | L30 C31 S32 G38 I43 L50 | L30-L34 WeakPolarHBondContact O-CG 3.36Å; L30-L34 PolarHBondContact O-N 2.94Å; L30-L34 VanDerWaalsContact O-N 3.08Å; C31-L34 PolarHBondContact O-N 3.04Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.06Å; L34-G38 VanDerWaalsContact O-CA 3.29Å; L34-G38 WeakPolarHBondContact O-CA 3.37Å; L34-G38 PolarHBondContact O-N 3.33Å; L34-I43 HydrophobicContact CD2-CB 4.31Å; L34-I43 HydrophobicContact CD2-CD1 4.47Å; L34-I43 HydrophobicContact CD2-CG2 3.76Å; L34-L50 HydrophobicContact CD1-CD1 4.2Å; L34-L50 HydrophobicContact CD1-CD2 3.98Å |
| 35 | T | 87.3 | Confident | 88.1 | Confident | 57 Ų | 57 | 29.3 Ų | 29.3 | 35% | 0.35 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.3 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | C31 S32 K191 | C31-T35 PolarHBondContact O-N 3.5Å; C31-T35 PolarHBondContact O-OG1 2.66Å; S32-T35 PolarHBondContact O-N 3.49Å; S32-T35 VanDerWaalsContact O-N 3.09Å; T35-K191 WeakPolarHBondContact CG2-O 3.14Å; T35-K191 PolarHBondContact OG1-O 2.92Å |
| 36 | F | 84.6 | Confident | 88.2 | Confident | 53 Ų | 53 | 27.5 Ų | 27.5 | 23% | 0.232 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -81 | -42.2 | -179.7 | -75.9 | -77.7 | 0 | 0 | 0 | 114.3 | S32 R168 F175 | S32-F36 WeakPolarHBondContact O-CD2 3.41Å; S32-F36 PolarHBondContact O-N 3Å; F36-R168 VanDerWaalsContact O-CZ 3.32Å; F36-R168 PolarHBondContact O-NH1 3.25Å; F36-R168 PolarHBondContact O-NH2 3.39Å; F36-F175 HydrophobicContact CE2-CB 4.4Å; F36-F175 AromaticContact CE2-CD2 3.8Å; F36-F175 HydrophobicContact CE2-CD2 3.8Å; F36-F175 HydrophobicContact CE2-CE2 4.4Å; F36-F175 HydrophobicContact CE2-CG 4.26Å; F36-F175 AromaticContact CZ-CD2 3.8Å; F36-F175 HydrophobicContact CZ-CD2 3.8Å; F36-F175 HydrophobicContact CZ-CE2 4.45Å |
| 37 | F | 89.4 | Confident | 88.3 | Confident | 24 Ų | 24 | 26.2 Ų | 26.2 | 11% | 0.105 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -119.1 | -9.1 | -166 | -59.4 | -75.5 | 0 | 0 | 0 | 115.1 | F33 S39 D40 L41 F155 F161 A165 L173 | F33-F37 HydrophobicContact CD1-CB 4.32Å; F33-F37 HydrophobicContact CD2-CD2 4.2Å; F33-F37 HydrophobicContact CE1-CB 3.93Å; F33-F37 HydrophobicContact CE2-CB 4.45Å; F33-F37 HydrophobicContact CE2-CD2 4.35Å; F33-F37 HydrophobicContact CG-CD2 4.47Å; F33-F37 HydrophobicContact CZ-CB 4.01Å; F33-F37 WeakPolarHBondContact O-CA 3.45Å; F33-F37 WeakPolarHBondContact O-CB 3.42Å; F33-F37 PolarHBondContact O-N 3.29Å; F37-S39 VanDerWaalsContact C-N 3.33Å; F37-S39 PolarHBondContact O-N 2.88Å; F37-D40 PolarHBondContact O-N 3.48Å; F37-D40 VanDerWaalsContact O-N 3.12Å; F37-L41 PolarHBondContact O-N 2.87Å; F37-L41 VanDerWaalsContact O-N 3.12Å; F37-F155 HydrophobicContact CD1-CE1 4.21Å; F37-F155 HydrophobicContact CD1-CZ 4.32Å; F37-F155 AromaticContact CD2-CZ 3.93Å; F37-F155 HydrophobicContact CD2-CZ 3.93Å; F37-F155 AromaticContact CE1-CE1 3.87Å; F37-F155 HydrophobicContact CE1-CE1 3.87Å; F37-F155 HydrophobicContact CE1-CZ 4.08Å; F37-F155 HydrophobicContact CE2-CE1 4.3Å; F37-F155 AromaticContact CE2-CZ 3.68Å; F37-F155 HydrophobicContact CE2-CZ 3.68Å; F37-F155 HydrophobicContact CG-CZ 4.24Å; F37-F155 AromaticContact CZ-CE1 3.91Å; F37-F155 HydrophobicContact CZ-CE1 3.91Å; F37-F155 AromaticContact CZ-CZ 3.74Å; F37-F155 HydrophobicContact CZ-CZ 3.74Å; F37-F161 HydrophobicContact CB-CE2 3.91Å; F37-F161 HydrophobicContact CB-CZ 3.82Å; F37-F161 AromaticContact CD1-CE2 3.9Å; F37-F161 HydrophobicContact CD1-CE2 3.9Å; F37-F161 AromaticContact CD1-CZ 3.75Å; F37-F161 HydrophobicContact CD1-CZ 3.75Å; F37-F161 HydrophobicContact CG-CE2 4.26Å; F37-F161 AromaticContact CG-CZ 3.93Å; F37-F161 HydrophobicContact CG-CZ 3.93Å; F37-A165 HydrophobicContact CE1-CB 4.01Å; F37-L173 HydrophobicContact CE1-CD2 4.14Å; F37-L173 HydrophobicContact CZ-CD2 3.71Å |
| 38 | G | 87.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.1 | -47.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | F33 L34 D40 L41 G42 I43 | F33-G38 PolarHBondContact O-N 3.07Å; L34-G38 VanDerWaalsContact O-CA 3.29Å; L34-G38 WeakPolarHBondContact O-CA 3.37Å; L34-G38 PolarHBondContact O-N 3.33Å; G38-D40 PolarHBondContact O-N 3.44Å; G38-L41 CarbonylContact O-C 3.51Å; G38-L41 PolarHBondContact O-N 2.68Å; G38-G42 PolarHBondContact O-N 2.82Å; G38-I43 CarbonylContact C-O 3.56Å; G38-I43 PolarHBondContact O-N 3.16Å |
| 39 | S | 86.5 | Confident | 88 | Confident | 83 Ų | 83 | 32.1 Ų | 32.1 | 58% | 0.58 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -57.6 | -42.1 | 176.3 | -65 | 0 | 0 | 0 | 0 | 113.5 | F37 L41 G42 | F37-S39 VanDerWaalsContact C-N 3.33Å; F37-S39 PolarHBondContact O-N 2.88Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 3.22Å; S39-G42 PolarHBondContact O-N 2.71Å; S39-G42 VanDerWaalsContact O-N 3.09Å |
| 40 | D | 86.4 | Confident | 87.9 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.4 | -30.2 | 179.1 | -90.6 | -52.3 | 0 | 0 | 0 | 113 | F37 G38 F161 K164 R168 | F37-D40 PolarHBondContact O-N 3.48Å; F37-D40 VanDerWaalsContact O-N 3.12Å; G38-D40 PolarHBondContact O-N 3.44Å; D40-F161 HydrophobicContact CB-CD2 4.08Å; D40-F161 HydrophobicContact CB-CE2 4.01Å; D40-K164 IonicContact OD1-NZ 3.96Å; D40-K164 PolarHBondContact OD1-NZ 3.05Å; D40-R168 IonicContact OD2-CZ 3.65Å; D40-R168 IonicContact OD2-NH2 2.82Å; D40-R168 PolarHBondContact OD2-NH2 2.82Å |
| 41 | L | 88.3 | Confident | 87.8 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -80.3 | -16.3 | 170.8 | -66.5 | -176.9 | 0 | 0 | 0 | 113.3 | F33 F37 G38 S39 I43 L72 K75 L151 Q154 F161 | F33-L41 HydrophobicContact CE1-CD1 3.72Å; F33-L41 HydrophobicContact CZ-CD1 3.85Å; F37-L41 PolarHBondContact O-N 2.87Å; F37-L41 VanDerWaalsContact O-N 3.12Å; G38-L41 CarbonylContact O-C 3.51Å; G38-L41 PolarHBondContact O-N 2.68Å; S39-L41 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 3.22Å; L41-I43 HydrophobicContact CB-CD1 3.96Å; L41-I43 HydrophobicContact CB-CG1 4.03Å; L41-I43 HydrophobicContact CD1-CD1 4.1Å; L41-L72 HydrophobicContact CD1-CD2 4.11Å; L41-K75 HydrophobicContact CD2-CD 4.18Å; L41-K75 WeakPolarHBondContact O-CE 2.93Å; L41-K75 PolarHBondContact O-NZ 3.49Å; L41-L151 HydrophobicContact CD1-CD2 3.93Å; L41-Q154 HydrophobicContact CD1-CG 4.05Å; L41-Q154 HydrophobicContact CD2-CB 4.44Å; L41-Q154 HydrophobicContact CD2-CG 4.32Å; L41-F161 HydrophobicContact CD2-CB 4.21Å; L41-F161 HydrophobicContact CD2-CD1 4.22Å; L41-F161 HydrophobicContact CD2-CD2 3.51Å; L41-F161 HydrophobicContact CD2-CE1 4.5Å; L41-F161 HydrophobicContact CD2-CE2 3.85Å; L41-F161 HydrophobicContact CD2-CG 3.71Å; L41-F161 HydrophobicContact CD2-CZ 4.34Å; L41-F161 HydrophobicContact CG-CD2 4.03Å; L41-F161 HydrophobicContact CG-CE2 3.88Å; L41-F161 HydrophobicContact CG-CZ 4.35Å |
| 42 | G | 84.2 | Confident | 87.5 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 43% | 0.433 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 36.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G38 S39 | G38-G42 PolarHBondContact O-N 2.82Å; S39-G42 PolarHBondContact O-N 2.71Å; S39-G42 VanDerWaalsContact O-N 3.09Å |
| 43 | I | 86.8 | Confident | 87.2 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | trans | -111.1 | 114.7 | 175.9 | -56.4 | 174.3 | 0 | 0 | 0 | 107.4 | L34 G38 L41 L45 L68 L72 L151 | L34-I43 HydrophobicContact CD2-CB 4.31Å; L34-I43 HydrophobicContact CD2-CD1 4.47Å; L34-I43 HydrophobicContact CD2-CG2 3.76Å; G38-I43 CarbonylContact C-O 3.56Å; G38-I43 PolarHBondContact O-N 3.16Å; L41-I43 HydrophobicContact CB-CD1 3.96Å; L41-I43 HydrophobicContact CB-CG1 4.03Å; L41-I43 HydrophobicContact CD1-CD1 4.1Å; I43-L45 HydrophobicContact CG2-CB 4.42Å; I43-L45 HydrophobicContact CG2-CD1 3.71Å; I43-L45 HydrophobicContact CG2-CG 3.87Å; I43-L68 HydrophobicContact CG2-CD1 4.21Å; I43-L72 HydrophobicContact CD1-CD2 4.07Å; I43-L151 HydrophobicContact CD1-CD2 4.13Å | ||
| 44 | H | 83.6 | Confident | 87 | Confident | 125 Ų | 125 | 36.8 Ų | 36.8 | 58% | 0.579 | 20% | 0.204 | S | C | * | . | trans | -117.1 | 104.5 | 171 | -54.8 | -68.3 | 0 | 0 | 0 | 106.9 | ||||
| 45 | L | 86.1 | Confident | 86.7 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | trans | -140 | 140.6 | 180 | -71.6 | 174.6 | 0 | 0 | 0 | 107.6 | I43 W65 L68 | I43-L45 HydrophobicContact CG2-CB 4.42Å; I43-L45 HydrophobicContact CG2-CD1 3.71Å; I43-L45 HydrophobicContact CG2-CG 3.87Å; L45-W65 HydrophobicContact CD1-CH2 3.37Å; L45-W65 HydrophobicContact CD1-CZ2 3.53Å; L45-W65 HydrophobicContact CD1-CZ3 4.38Å; L45-W65 HydrophobicContact CD2-CZ2 3.93Å; L45-W65 HydrophobicContact CG-CZ2 4.4Å; L45-L68 HydrophobicContact CD1-CD1 3.65Å | ||
| 46 | T | 89.2 | Confident | 86.1 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | trans | -91 | 158.9 | 173.5 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | Q49 L50 D192 D194 | T46-Q49 WeakPolarHBondContact O-CB 3.35Å; T46-Q49 PolarHBondContact O-N 2.92Å; T46-Q49 VanDerWaalsContact O-N 3.13Å; T46-Q49 VanDerWaalsContact OG1-CG 3.23Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.45Å; T46-Q49 PolarHBondContact OG1-NE2 2.93Å; T46-L50 PolarHBondContact O-N 3.19Å; T46-D192 WeakPolarHBondContact CA-OD2 3.23Å; T46-D192 WeakPolarHBondContact CB-OD2 3.3Å; T46-D194 HydrophobicContact CG2-CB 3.73Å; T46-D194 WeakPolarHBondContact CG2-OD2 3.38Å | ||
| 47 | F | 90.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 179.6 | -58.8 | -24.5 | 0 | 0 | 0 | 113 | C31 Q49 L50 Y51 L190 D192 Y198 | C31-F47 HydrophobicContact CB-CD1 4Å; C31-F47 HydrophobicContact CB-CE1 3.62Å; C31-F47 HydrophobicContact CB-CZ 3.97Å; C31-F47 VanDerWaalsContact SG-CD1 3.54Å; F47-Q49 VanDerWaalsContact C-N 3.28Å; F47-Q49 PolarHBondContact O-N 3.41Å; F47-L50 PolarHBondContact O-N 3.39Å; F47-Y51 PolarHBondContact O-N 3.03Å; F47-L190 HydrophobicContact CE2-CB 3.9Å; F47-L190 HydrophobicContact CZ-CB 3.95Å; F47-D192 HydrophobicContact CD1-CB 3.85Å; F47-D192 HydrophobicContact CD2-CB 3.95Å; F47-D192 HydrophobicContact CE1-CB 3.77Å; F47-D192 HydrophobicContact CE2-CB 3.87Å; F47-D192 HydrophobicContact CG-CB 3.94Å; F47-D192 HydrophobicContact CZ-CB 3.78Å; F47-D192 PolarHBondContact N-OD2 3.36Å; F47-Y198 HydrophobicContact CB-CD2 4.12Å; F47-Y198 HydrophobicContact CB-CE2 3.53Å; F47-Y198 AromaticContact CD2-CD2 3.66Å; F47-Y198 HydrophobicContact CD2-CD2 3.66Å; F47-Y198 AromaticContact CD2-CE2 3.99Å; F47-Y198 HydrophobicContact CD2-CE2 3.99Å; F47-Y198 HydrophobicContact CD2-CG 4.32Å; F47-Y198 HydrophobicContact CE2-CD2 4.32Å; F47-Y198 HydrophobicContact CG-CD2 4.08Å; F47-Y198 AromaticContact CG-CE2 4Å; F47-Y198 HydrophobicContact CG-CE2 4Å |
| 48 | P | 87.5 | Confident | 83.8 | Confident | 50 Ų | 50 | 45.1 Ų | 45.1 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -33 | 174.9 | -23.3 | 35.2 | 0 | 0 | 0 | 112.9 | D52 N196 | P48-D52 WeakPolarHBondContact O-CB 3.46Å; P48-D52 PolarHBondContact O-N 3.23Å; P48-N196 HydrophobicContact CG-CB 4.11Å |
| 49 | Q | 87.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.1 | -50.7 | 172.6 | -75.2 | 175.2 | 57.2 | 0 | 0 | 110.7 | T46 F47 Y51 D52 F53 | T46-Q49 WeakPolarHBondContact O-CB 3.35Å; T46-Q49 PolarHBondContact O-N 2.92Å; T46-Q49 VanDerWaalsContact O-N 3.13Å; T46-Q49 VanDerWaalsContact OG1-CG 3.23Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.45Å; T46-Q49 PolarHBondContact OG1-NE2 2.93Å; F47-Q49 VanDerWaalsContact C-N 3.28Å; F47-Q49 PolarHBondContact O-N 3.41Å; Q49-Y51 VanDerWaalsContact C-N 3.29Å; Q49-Y51 PolarHBondContact O-N 2.84Å; Q49-D52 WeakPolarHBondContact O-CB 3.39Å; Q49-D52 PolarHBondContact O-N 2.93Å; Q49-F53 HydrophobicContact CB-CD2 4.04Å; Q49-F53 HydrophobicContact CB-CE2 3.91Å; Q49-F53 HydrophobicContact CG-CE2 4.29Å; Q49-F53 WeakPolarHBondContact O-CB 3.27Å; Q49-F53 WeakPolarHBondContact O-CD2 3.3Å; Q49-F53 WeakPolarHBondContact O-CG 3.45Å; Q49-F53 PolarHBondContact O-N 2.89Å |
| 50 | L | 89 | Confident | 80.8 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.1 | -47.4 | 179 | -178.1 | 69.2 | 0 | 0 | 0 | 111.4 | F27 L30 L34 T46 F47 F53 L54 W65 L147 | F27-L50 HydrophobicContact CD2-CD2 4.36Å; F27-L50 HydrophobicContact CE2-CD2 3.78Å; F27-L50 HydrophobicContact CE2-CG 3.91Å; F27-L50 HydrophobicContact CZ-CD2 4.17Å; F27-L50 HydrophobicContact CZ-CG 4.47Å; L30-L50 HydrophobicContact CB-CD2 4.11Å; L30-L50 HydrophobicContact CD1-CD2 4.49Å; L34-L50 HydrophobicContact CD1-CD1 4.2Å; L34-L50 HydrophobicContact CD1-CD2 3.98Å; T46-L50 PolarHBondContact O-N 3.19Å; F47-L50 PolarHBondContact O-N 3.39Å; L50-F53 PolarHBondContact O-N 3.13Å; L50-L54 HydrophobicContact CD1-CD1 3.85Å; L50-L54 HydrophobicContact CD1-CG 4.47Å; L50-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 WeakPolarHBondContact O-CG 3.29Å; L50-L54 PolarHBondContact O-N 3.31Å; L50-L54 VanDerWaalsContact O-N 3.13Å; L50-W65 HydrophobicContact CD1-CH2 3.89Å; L50-L147 HydrophobicContact CD1-CD2 4.02Å |
| 51 | Y | 89.5 | Confident | 79.8 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58 | -56.7 | 175.2 | 176 | -96.7 | 0 | 0 | 0 | 112.2 | D20 L21 R22 F47 Q49 F53 L54 A55 | D20-Y51 WeakPolarHBondContact OD1-CE2 3.27Å; L21-Y51 HydrophobicContact CB-CD2 4.12Å; L21-Y51 HydrophobicContact CB-CE2 4.02Å; L21-Y51 HydrophobicContact CD1-CD2 4.47Å; R22-Y51 HydrophobicContact CG-CD2 3.42Å; R22-Y51 VanDerWaalsContact CG-CD2 3.42Å; R22-Y51 HydrophobicContact CG-CE2 3.68Å; R22-Y51 HydrophobicContact CG-CG 4.29Å; R22-Y51 VanDerWaalsContact NE-CE2 3.31Å; F47-Y51 PolarHBondContact O-N 3.03Å; Q49-Y51 VanDerWaalsContact C-N 3.29Å; Q49-Y51 PolarHBondContact O-N 2.84Å; Y51-F53 PolarHBondContact O-N 3.04Å; Y51-F53 VanDerWaalsContact O-N 3.17Å; Y51-L54 PolarHBondContact O-N 3.38Å; Y51-A55 HydrophobicContact CE1-CB 4.31Å; Y51-A55 HydrophobicContact CE2-CB 4.43Å; Y51-A55 WeakPolarHBondContact O-CB 3.31Å; Y51-A55 PolarHBondContact O-N 3.09Å |
| 52 | D | 84.7 | Confident | 79 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -46.2 | -49.8 | 177.5 | -106.4 | 17.9 | 0 | 0 | 0 | 110.8 | P48 Q49 L56 | P48-D52 WeakPolarHBondContact O-CB 3.46Å; P48-D52 PolarHBondContact O-N 3.23Å; Q49-D52 WeakPolarHBondContact O-CB 3.39Å; Q49-D52 PolarHBondContact O-N 2.93Å; D52-L56 WeakPolarHBondContact O-CB 3.49Å; D52-L56 WeakPolarHBondContact O-CD1 3.27Å; D52-L56 WeakPolarHBondContact O-CG 3.12Å; D52-L56 PolarHBondContact O-N 3.11Å |
| 53 | F | 83 | Confident | 78.6 | Confident | 10 Ų | 10 | 58.1 Ų | 58.1 | 4% | 0.044 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76.5 | -23.9 | -170.8 | -69.9 | -58.7 | 0 | 0 | 0 | 114.5 | Q49 L50 Y51 L56 K61 W65 | Q49-F53 HydrophobicContact CB-CD2 4.04Å; Q49-F53 HydrophobicContact CB-CE2 3.91Å; Q49-F53 HydrophobicContact CG-CE2 4.29Å; Q49-F53 WeakPolarHBondContact O-CB 3.27Å; Q49-F53 WeakPolarHBondContact O-CD2 3.3Å; Q49-F53 WeakPolarHBondContact O-CG 3.45Å; Q49-F53 PolarHBondContact O-N 2.89Å; L50-F53 PolarHBondContact O-N 3.13Å; Y51-F53 PolarHBondContact O-N 3.04Å; Y51-F53 VanDerWaalsContact O-N 3.17Å; F53-L56 HydrophobicContact CD1-CD1 4.3Å; F53-K61 HydrophobicContact CE1-CB 3.69Å; F53-K61 HydrophobicContact CE1-CD 3.48Å; F53-K61 VanDerWaalsContact CE1-CD 3.48Å; F53-K61 HydrophobicContact CE1-CG 4.25Å; F53-K61 HydrophobicContact CZ-CB 4.46Å; F53-K61 HydrophobicContact CZ-CD 3.82Å; F53-W65 HydrophobicContact CB-CD2 4.03Å; F53-W65 VanDerWaalsContact CB-CE2 3.42Å; F53-W65 HydrophobicContact CB-CG 4.41Å; F53-W65 HydrophobicContact CB-CH2 4.34Å; F53-W65 HydrophobicContact CB-CZ2 3.62Å; F53-W65 AromaticContact CD1-CD1 3.46Å; F53-W65 VanDerWaalsContact CD1-CD1 3.46Å; F53-W65 HydrophobicContact CD1-CG 4.47Å; F53-W65 AromaticContact CD1-NE1 3.2Å; F53-W65 AromaticContact CD2-CE2 3.38Å; F53-W65 AromaticContact CD2-CZ2 3.39Å; F53-W65 HydrophobicContact CD2-CZ2 3.39Å; F53-W65 AromaticContact CD2-NE1 2.96Å; F53-W65 AromaticContact CE1-CD1 3.73Å; F53-W65 AromaticContact CE1-NE1 3.48Å; F53-W65 HydrophobicContact CE2-CZ2 4.21Å; F53-W65 AromaticContact CE2-NE1 3.29Å; F53-W65 VanDerWaalsContact CE2-NE1 3.29Å; F53-W65 AromaticContact CG-CD1 3.63Å; F53-W65 HydrophobicContact CG-CD2 4.32Å; F53-W65 AromaticContact CG-CE2 3.4Å; F53-W65 VanDerWaalsContact CG-CE2 3.4Å; F53-W65 HydrophobicContact CG-CG 4.45Å; F53-W65 AromaticContact CG-CZ2 3.76Å; F53-W65 HydrophobicContact CG-CZ2 3.76Å; F53-W65 AromaticContact CG-NE1 2.92Å; F53-W65 AromaticContact CZ-NE1 3.53Å |
| 54 | L | 85.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -86.2 | -38.7 | 173.6 | -67.1 | 170.9 | 0 | 0 | 0 | 111.7 | L21 F27 L30 L50 Y51 R143 V144 L147 | L21-L54 HydrophobicContact CD1-CB 3.58Å; F27-L54 HydrophobicContact CD2-CD1 4.27Å; F27-L54 HydrophobicContact CE2-CD1 4.25Å; L30-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CD1 3.85Å; L50-L54 HydrophobicContact CD1-CG 4.47Å; L50-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 WeakPolarHBondContact O-CG 3.29Å; L50-L54 PolarHBondContact O-N 3.31Å; L50-L54 VanDerWaalsContact O-N 3.13Å; Y51-L54 PolarHBondContact O-N 3.38Å; L54-R143 HydrophobicContact CD2-CB 3.92Å; L54-R143 WeakPolarHBondContact O-CD 3.27Å; L54-R143 PolarHBondContact O-NH1 3.1Å; L54-V144 HydrophobicContact CD1-CG2 4.08Å; L54-L147 HydrophobicContact CD1-CD2 4.49Å; L54-L147 HydrophobicContact CD2-CD2 4.24Å |
| 55 | A | 84.2 | Confident | 78.1 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.2 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L21 Y51 Q57 | L21-A55 HydrophobicContact CD1-CB 4.07Å; Y51-A55 HydrophobicContact CE1-CB 4.31Å; Y51-A55 HydrophobicContact CE2-CB 4.43Å; Y51-A55 WeakPolarHBondContact O-CB 3.31Å; Y51-A55 PolarHBondContact O-N 3.09Å; A55-Q57 PolarHBondContact O-N 3.47Å |
| 56 | L | 74.5 | Confident | 78.1 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | trans | -55.7 | 121 | -176.4 | -95.8 | 170.4 | 0 | 0 | 0 | 113.5 | D52 F53 S59 Y136 R143 | D52-L56 WeakPolarHBondContact O-CB 3.49Å; D52-L56 WeakPolarHBondContact O-CD1 3.27Å; D52-L56 WeakPolarHBondContact O-CG 3.12Å; D52-L56 PolarHBondContact O-N 3.11Å; F53-L56 HydrophobicContact CD1-CD1 4.3Å; L56-S59 VanDerWaalsContact CD2-CB 3.45Å; L56-Y136 WeakPolarHBondContact O-CD1 3.47Å; L56-R143 PolarHBondContact O-NH1 3.13Å | ||
| 57 | Q | 64.3 | Low | 78 | Confident | 152 Ų | 152 | 56.9 Ų | 56.9 | 71% | 0.71 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -79.3 | -35.8 | 176.2 | -64.9 | -177.5 | -2.3 | 0 | 0 | 112.8 | A55 | A55-Q57 PolarHBondContact O-N 3.47Š|
| 58 | N | 59.8 | Low | 77.9 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 54% | 0.54 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -163.6 | 121.7 | 173.3 | -94.5 | -56.6 | 0 | 0 | 0 | 109.8 | V132 | N58-V132 WeakPolarHBondContact OD1-CG1 3.15Š|
| 59 | S | 54.7 | Low | 78 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | trans | -162.2 | 153 | 172.2 | -175.7 | 0 | 0 | 0 | 0 | 113.8 | L56 K61 T62 | L56-S59 VanDerWaalsContact CD2-CB 3.45Å; S59-K61 PolarHBondContact O-N 3.43Å; S59-T62 VanDerWaalsContact O-CG2 3.32Å; S59-T62 WeakPolarHBondContact O-CG2 3.2Å | ||
| 60 | A | 58 | Low | 78.2 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 85% | 0.851 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 10.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 61 | K | 65.2 | Low | 78.3 | Confident | 99 Ų | 99 | 58 Ų | 58 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 1.6 | 178.6 | -62.2 | 179.6 | -176.1 | 171 | 0 | 113.8 | F53 S59 K63 I64 | F53-K61 HydrophobicContact CE1-CB 3.69Å; F53-K61 HydrophobicContact CE1-CD 3.48Å; F53-K61 VanDerWaalsContact CE1-CD 3.48Å; F53-K61 HydrophobicContact CE1-CG 4.25Å; F53-K61 HydrophobicContact CZ-CB 4.46Å; F53-K61 HydrophobicContact CZ-CD 3.82Å; S59-K61 PolarHBondContact O-N 3.43Å; K61-K63 PolarHBondContact O-N 3.47Å; K61-I64 PolarHBondContact O-N 3.03Å; K61-I64 VanDerWaalsContact O-N 3.1Å |
| 62 | T | 70.1 | Confident | 78.5 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -44.1 | -42.5 | -171.4 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | S59 I64 W65 E66 Y136 | S59-T62 VanDerWaalsContact O-CG2 3.32Å; S59-T62 WeakPolarHBondContact O-CG2 3.2Å; T62-I64 PolarHBondContact O-N 3.5Å; T62-W65 WeakPolarHBondContact O-CA 3.4Å; T62-W65 PolarHBondContact O-N 3.14Å; T62-E66 WeakPolarHBondContact CB-OE1 3.37Å; T62-E66 WeakPolarHBondContact O-CG 3.49Å; T62-E66 PolarHBondContact O-N 3.31Å; T62-E66 PolarHBondContact OG1-OE1 2.73Å; T62-Y136 HydrophobicContact CG2-CE2 3.81Å |
| 63 | K | 76.8 | Confident | 78.9 | Confident | 155 Ų | 155 | 52.3 Ų | 52.3 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -51.7 | -32.5 | -178.1 | -66.7 | -178.7 | 179.2 | 177.5 | 0 | 114.9 | K61 W65 E66 T67 | K61-K63 PolarHBondContact O-N 3.47Å; K63-W65 VanDerWaalsContact C-N 3.31Å; K63-E66 WeakPolarHBondContact CA-OE2 3.4Å; K63-E66 PolarHBondContact N-OE1 3.06Å; K63-T67 VanDerWaalsContact O-CG2 3.3Å; K63-T67 WeakPolarHBondContact O-CG2 3.35Å; K63-T67 PolarHBondContact O-N 2.84Å; K63-T67 PolarHBondContact O-OG1 2.75Å |
| 64 | I | 79.8 | Confident | 79.4 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 177 | -55.1 | -176.8 | 0 | 0 | 0 | 109.5 | K61 T62 T67 L68 F441 | K61-I64 PolarHBondContact O-N 3.03Å; K61-I64 VanDerWaalsContact O-N 3.1Å; T62-I64 PolarHBondContact O-N 3.5Å; I64-T67 PolarHBondContact O-N 3.08Å; I64-T67 PolarHBondContact O-OG1 3.44Å; I64-L68 PolarHBondContact O-N 2.82Å; I64-F441 HydrophobicContact CD1-CZ 4.41Å; I64-F441 HydrophobicContact CG1-CZ 4.27Å |
| 65 | W | 79.9 | Confident | 79.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -81.9 | -34.3 | -176.9 | -72.8 | 83.1 | 0 | 0 | 0 | 113.7 | L45 L50 F53 T62 K63 T67 L68 H69 L147 | L45-W65 HydrophobicContact CD1-CH2 3.37Å; L45-W65 HydrophobicContact CD1-CZ2 3.53Å; L45-W65 HydrophobicContact CD1-CZ3 4.38Å; L45-W65 HydrophobicContact CD2-CZ2 3.93Å; L45-W65 HydrophobicContact CG-CZ2 4.4Å; L50-W65 HydrophobicContact CD1-CH2 3.89Å; F53-W65 HydrophobicContact CB-CD2 4.03Å; F53-W65 VanDerWaalsContact CB-CE2 3.42Å; F53-W65 HydrophobicContact CB-CG 4.41Å; F53-W65 HydrophobicContact CB-CH2 4.34Å; F53-W65 HydrophobicContact CB-CZ2 3.62Å; F53-W65 AromaticContact CD1-CD1 3.46Å; F53-W65 VanDerWaalsContact CD1-CD1 3.46Å; F53-W65 HydrophobicContact CD1-CG 4.47Å; F53-W65 AromaticContact CD1-NE1 3.2Å; F53-W65 AromaticContact CD2-CE2 3.38Å; F53-W65 AromaticContact CD2-CZ2 3.39Å; F53-W65 HydrophobicContact CD2-CZ2 3.39Å; F53-W65 AromaticContact CD2-NE1 2.96Å; F53-W65 AromaticContact CE1-CD1 3.73Å; F53-W65 AromaticContact CE1-NE1 3.48Å; F53-W65 HydrophobicContact CE2-CZ2 4.21Å; F53-W65 AromaticContact CE2-NE1 3.29Å; F53-W65 VanDerWaalsContact CE2-NE1 3.29Å; F53-W65 AromaticContact CG-CD1 3.63Å; F53-W65 HydrophobicContact CG-CD2 4.32Å; F53-W65 AromaticContact CG-CE2 3.4Å; F53-W65 VanDerWaalsContact CG-CE2 3.4Å; F53-W65 HydrophobicContact CG-CG 4.45Å; F53-W65 AromaticContact CG-CZ2 3.76Å; F53-W65 HydrophobicContact CG-CZ2 3.76Å; F53-W65 AromaticContact CG-NE1 2.92Å; F53-W65 AromaticContact CZ-NE1 3.53Å; T62-W65 WeakPolarHBondContact O-CA 3.4Å; T62-W65 PolarHBondContact O-N 3.14Å; K63-W65 VanDerWaalsContact C-N 3.31Å; W65-T67 VanDerWaalsContact C-N 3.26Å; W65-T67 PolarHBondContact O-N 3.15Å; W65-L68 HydrophobicContact CE3-CB 4.47Å; W65-L68 HydrophobicContact CE3-CD1 4.21Å; W65-L68 HydrophobicContact CE3-CD2 4.14Å; W65-L68 HydrophobicContact CH2-CD1 4.06Å; W65-L68 HydrophobicContact CZ3-CD1 3.89Å; W65-L68 HydrophobicContact CZ3-CD2 4.02Å; W65-L68 HydrophobicContact CZ3-CG 4.49Å; W65-L68 PolarHBondContact O-N 2.95Å; W65-L68 VanDerWaalsContact O-N 3.16Å; W65-H69 PolarHBondContact O-N 3.26Å; W65-H69 PolarHBondContact O-ND1 2.8Å; W65-L147 HydrophobicContact CZ3-CD2 4.01Å |
| 66 | E | 85.3 | Confident | 80 | Confident | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.4 | -48.5 | 163.2 | -64 | 160.1 | -154.2 | 0 | 0 | 109.7 | T62 K63 L68 V70 W85 | T62-E66 WeakPolarHBondContact CB-OE1 3.37Å; T62-E66 WeakPolarHBondContact O-CG 3.49Å; T62-E66 PolarHBondContact O-N 3.31Å; T62-E66 PolarHBondContact OG1-OE1 2.73Å; K63-E66 WeakPolarHBondContact CA-OE2 3.4Å; K63-E66 PolarHBondContact N-OE1 3.06Å; E66-L68 PolarHBondContact O-N 3.08Å; E66-V70 VanDerWaalsContact O-CB 3.23Å; E66-V70 WeakPolarHBondContact O-CB 3.46Å; E66-V70 WeakPolarHBondContact O-CG2 3.36Å; E66-V70 PolarHBondContact O-N 2.8Å; E66-W85 HydrophobicContact CG-CZ2 4.09Å |
| 67 | T | 86.9 | Confident | 80.7 | Confident | 55 Ų | 55 | 62 Ų | 62 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.9 | -28 | 177.7 | 67.7 | 0 | 0 | 0 | 0 | 114 | K63 I64 W65 K71 | K63-T67 VanDerWaalsContact O-CG2 3.3Å; K63-T67 WeakPolarHBondContact O-CG2 3.35Å; K63-T67 PolarHBondContact O-N 2.84Å; K63-T67 PolarHBondContact O-OG1 2.75Å; I64-T67 PolarHBondContact O-N 3.08Å; I64-T67 PolarHBondContact O-OG1 3.44Å; W65-T67 VanDerWaalsContact C-N 3.26Å; W65-T67 PolarHBondContact O-N 3.15Å; T67-K71 WeakPolarHBondContact O-CB 3.05Å; T67-K71 WeakPolarHBondContact O-CD 3.34Å; T67-K71 WeakPolarHBondContact O-CG 3.07Å; T67-K71 PolarHBondContact O-N 2.81Å |
| 68 | L | 88.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.094 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -53 | 175.7 | -175.4 | 147.6 | 0 | 0 | 0 | 111.3 | I43 L45 I64 W65 E66 V70 K71 L72 L147 | I43-L68 HydrophobicContact CG2-CD1 4.21Å; L45-L68 HydrophobicContact CD1-CD1 3.65Å; I64-L68 PolarHBondContact O-N 2.82Å; W65-L68 HydrophobicContact CE3-CB 4.47Å; W65-L68 HydrophobicContact CE3-CD1 4.21Å; W65-L68 HydrophobicContact CE3-CD2 4.14Å; W65-L68 HydrophobicContact CH2-CD1 4.06Å; W65-L68 HydrophobicContact CZ3-CD1 3.89Å; W65-L68 HydrophobicContact CZ3-CD2 4.02Å; W65-L68 HydrophobicContact CZ3-CG 4.49Å; W65-L68 PolarHBondContact O-N 2.95Å; W65-L68 VanDerWaalsContact O-N 3.16Å; E66-L68 PolarHBondContact O-N 3.08Å; L68-V70 VanDerWaalsContact C-N 3.3Å; L68-V70 PolarHBondContact O-N 2.93Å; L68-K71 WeakPolarHBondContact O-CB 3.42Å; L68-K71 PolarHBondContact O-N 3.22Å; L68-K71 VanDerWaalsContact O-N 3.09Å; L68-L72 HydrophobicContact CD2-CD1 3.65Å; L68-L72 HydrophobicContact CD2-CG 4.43Å; L68-L72 PolarHBondContact O-N 2.67Å; L68-L147 HydrophobicContact CD2-CD1 4.02Å |
| 69 | H | 90.3 | Very high | 83.3 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -42 | 176.3 | -67.1 | 95.9 | 0 | 0 | 0 | 111.1 | W65 K71 L72 L73 W85 Y135 | W65-H69 PolarHBondContact O-N 3.26Å; W65-H69 PolarHBondContact O-ND1 2.8Å; H69-K71 PolarHBondContact O-N 3.02Å; H69-L72 PolarHBondContact O-N 3.04Å; H69-L73 VanDerWaalsContact O-CB 3.31Å; H69-L73 WeakPolarHBondContact O-CB 3.35Å; H69-L73 VanDerWaalsContact O-CG 3.29Å; H69-L73 WeakPolarHBondContact O-CG 3.42Å; H69-L73 PolarHBondContact O-N 2.67Å; H69-W85 HydrophobicContact CB-CD2 4.31Å; H69-W85 HydrophobicContact CB-CE3 3.58Å; H69-W85 HydrophobicContact CB-CZ3 3.69Å; H69-W85 AromaticContact CD2-CZ3 4Å; H69-W85 AromaticContact CG-CE3 3.99Å; H69-W85 AromaticContact CG-CZ3 3.54Å; H69-W85 AromaticContact ND1-CH2 3.9Å; H69-W85 AromaticContact ND1-CZ3 3.74Å; H69-Y135 AromaticContact CE1-CE1 3.96Å; H69-Y135 AromaticContact CE1-CZ 3.78Å; H69-Y135 AromaticContact NE2-CE2 3.87Å; H69-Y135 AromaticContact NE2-CZ 3.61Å; H69-Y135 PolarHBondContact NE2-OH 2.89Å |
| 70 | V | 91.9 | Very high | 85 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | E66 L68 N74 A80 P82 W85 | E66-V70 VanDerWaalsContact O-CB 3.23Å; E66-V70 WeakPolarHBondContact O-CB 3.46Å; E66-V70 WeakPolarHBondContact O-CG2 3.36Å; E66-V70 PolarHBondContact O-N 2.8Å; L68-V70 VanDerWaalsContact C-N 3.3Å; L68-V70 PolarHBondContact O-N 2.93Å; V70-N74 WeakPolarHBondContact CG1-ND2 3.34Å; V70-N74 WeakPolarHBondContact O-CB 3.48Å; V70-N74 VanDerWaalsContact O-CG 3.25Å; V70-N74 PolarHBondContact O-N 3.31Å; V70-N74 VanDerWaalsContact O-N 3.08Å; V70-N74 PolarHBondContact O-ND2 3.49Å; V70-A80 HydrophobicContact CG2-CB 4.26Å; V70-P82 HydrophobicContact CG1-CG 4.47Å; V70-W85 HydrophobicContact CG2-CB 3.62Å; V70-W85 HydrophobicContact CG2-CG 3.99Å |
| 71 | K | 91.7 | Very high | 86.4 | Confident | 119 Ų | 119 | 64 Ų | 64 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 174.9 | -79.8 | 165.8 | 179.1 | -179.2 | 0 | 111.4 | T67 L68 H69 N74 K75 | T67-K71 WeakPolarHBondContact O-CB 3.05Å; T67-K71 WeakPolarHBondContact O-CD 3.34Å; T67-K71 WeakPolarHBondContact O-CG 3.07Å; T67-K71 PolarHBondContact O-N 2.81Å; L68-K71 WeakPolarHBondContact O-CB 3.42Å; L68-K71 PolarHBondContact O-N 3.22Å; L68-K71 VanDerWaalsContact O-N 3.09Å; H69-K71 PolarHBondContact O-N 3.02Å; K71-N74 PolarHBondContact O-N 3.1Å; K71-K75 WeakPolarHBondContact O-CG 3.3Å; K71-K75 PolarHBondContact O-N 3.45Å |
| 72 | L | 93.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -49.8 | -179.2 | -72.1 | 175.6 | 0 | 0 | 0 | 112.1 | L41 I43 L68 H69 N74 K75 L76 L147 L150 L151 Q154 | L41-L72 HydrophobicContact CD1-CD2 4.11Å; I43-L72 HydrophobicContact CD1-CD2 4.07Å; L68-L72 HydrophobicContact CD2-CD1 3.65Å; L68-L72 HydrophobicContact CD2-CG 4.43Å; L68-L72 PolarHBondContact O-N 2.67Å; H69-L72 PolarHBondContact O-N 3.04Å; L72-N74 PolarHBondContact O-N 2.92Å; L72-K75 HydrophobicContact CD2-CD 4.45Å; L72-K75 WeakPolarHBondContact O-CB 3.47Å; L72-K75 PolarHBondContact O-N 3.29Å; L72-K75 VanDerWaalsContact O-N 3.15Å; L72-L76 WeakPolarHBondContact O-CG 3.31Å; L72-L76 PolarHBondContact O-N 3.15Å; L72-L147 HydrophobicContact CD1-CD1 4.17Å; L72-L150 HydrophobicContact CB-CD1 4.31Å; L72-L150 HydrophobicContact CB-CD2 3.89Å; L72-L150 HydrophobicContact CB-CG 3.88Å; L72-L150 HydrophobicContact CD1-CD2 3.83Å; L72-L150 HydrophobicContact CD1-CG 3.97Å; L72-L151 HydrophobicContact CD1-CD2 3.66Å; L72-L151 HydrophobicContact CD1-CG 4.42Å; L72-L151 HydrophobicContact CD2-CD2 3.79Å; L72-L151 HydrophobicContact CG-CD2 4.41Å; L72-Q154 HydrophobicContact CD2-CG 4.38Å |
| 73 | L | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -32.6 | 175.9 | -70.6 | 167.6 | 0 | 0 | 0 | 112.2 | H69 L76 K77 Y78 A80 V88 L89 F92 L150 | H69-L73 VanDerWaalsContact O-CB 3.31Å; H69-L73 WeakPolarHBondContact O-CB 3.35Å; H69-L73 VanDerWaalsContact O-CG 3.29Å; H69-L73 WeakPolarHBondContact O-CG 3.42Å; H69-L73 PolarHBondContact O-N 2.67Å; L73-L76 CarbonylContact O-C 3.56Å; L73-L76 PolarHBondContact O-N 2.87Å; L73-K77 PolarHBondContact O-N 3.19Å; L73-Y78 WeakPolarHBondContact O-CB 3.29Å; L73-Y78 PolarHBondContact O-N 3.25Å; L73-A80 HydrophobicContact CB-CB 3.76Å; L73-A80 HydrophobicContact CD1-CB 3.96Å; L73-V88 HydrophobicContact CD1-CB 4.45Å; L73-V88 HydrophobicContact CD1-CG1 4.27Å; L73-L89 HydrophobicContact CD1-CB 4.2Å; L73-L89 HydrophobicContact CD1-CD1 4.49Å; L73-L89 HydrophobicContact CD2-CD1 4.36Å; L73-F92 HydrophobicContact CD2-CB 3.79Å; L73-F92 HydrophobicContact CD2-CD2 4.35Å; L73-F92 HydrophobicContact CD2-CG 3.96Å; L73-L150 HydrophobicContact CD2-CD1 3.66Å; L73-L150 HydrophobicContact CG-CD1 4.04Å |
| 74 | N | 92.7 | Very high | 88.5 | Confident | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -76.6 | -33.2 | 175.6 | -78.8 | -47.8 | 0 | 0 | 0 | 113.9 | V70 K71 L72 L76 K77 R79 A80 | V70-N74 WeakPolarHBondContact CG1-ND2 3.34Å; V70-N74 WeakPolarHBondContact O-CB 3.48Å; V70-N74 VanDerWaalsContact O-CG 3.25Å; V70-N74 PolarHBondContact O-N 3.31Å; V70-N74 VanDerWaalsContact O-N 3.08Å; V70-N74 PolarHBondContact O-ND2 3.49Å; K71-N74 PolarHBondContact O-N 3.1Å; L72-N74 PolarHBondContact O-N 2.92Å; N74-L76 VanDerWaalsContact C-N 3.28Å; N74-L76 PolarHBondContact O-N 3.04Å; N74-K77 WeakPolarHBondContact O-CA 3.46Å; N74-K77 PolarHBondContact O-N 3.07Å; N74-R79 WeakPolarHBondContact OD1-CA 3.41Å; N74-R79 PolarHBondContact OD1-N 3.35Å; N74-A80 PolarHBondContact ND2-O 3.32Å; N74-A80 PolarHBondContact OD1-N 2.89Å; N74-A80 VanDerWaalsContact OD1-N 3.09Å |
| 75 | K | 90.6 | Very high | 89 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 167 | -74.2 | 166.7 | 177.4 | -90.8 | 0 | 111 | L41 K71 L72 K77 | L41-K75 HydrophobicContact CD2-CD 4.18Å; L41-K75 WeakPolarHBondContact O-CE 2.93Å; L41-K75 PolarHBondContact O-NZ 3.49Å; K71-K75 WeakPolarHBondContact O-CG 3.3Å; K71-K75 PolarHBondContact O-N 3.45Å; L72-K75 HydrophobicContact CD2-CD 4.45Å; L72-K75 WeakPolarHBondContact O-CB 3.47Å; L72-K75 PolarHBondContact O-N 3.29Å; L72-K75 VanDerWaalsContact O-N 3.15Å; K75-K77 PolarHBondContact O-N 2.84Å |
| 76 | L | 91.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 5.6 | 172.8 | -59.4 | 172.6 | 0 | 0 | 0 | 114.4 | L72 L73 N74 Y78 F92 L150 T153 Q154 R157 | L72-L76 WeakPolarHBondContact O-CG 3.31Å; L72-L76 PolarHBondContact O-N 3.15Å; L73-L76 CarbonylContact O-C 3.56Å; L73-L76 PolarHBondContact O-N 2.87Å; N74-L76 VanDerWaalsContact C-N 3.28Å; N74-L76 PolarHBondContact O-N 3.04Å; L76-Y78 VanDerWaalsContact C-N 3.31Å; L76-Y78 HydrophobicContact CB-CD2 3.78Å; L76-Y78 HydrophobicContact CB-CE2 4.14Å; L76-Y78 VanDerWaalsContact O-CD2 3.3Å; L76-Y78 WeakPolarHBondContact O-CD2 3.24Å; L76-Y78 PolarHBondContact O-N 2.99Å; L76-F92 HydrophobicContact CD1-CD2 4.1Å; L76-F92 HydrophobicContact CD1-CE2 3.7Å; L76-F92 HydrophobicContact CD1-CZ 4.41Å; L76-L150 HydrophobicContact CD1-CD1 3.6Å; L76-T153 VanDerWaalsContact CD2-O 3.27Å; L76-T153 WeakPolarHBondContact CD2-O 3.46Å; L76-Q154 VanDerWaalsContact CG-NE2 3.33Å; L76-R157 HydrophobicContact CD2-CB 3.79Å |
| 77 | K | 90.3 | Very high | 89.8 | Confident | 151 Ų | 151 | 63.2 Ų | 63.2 | 66% | 0.657 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 10.7 | 177.3 | -52.8 | 159.1 | -175.4 | 155.2 | 0 | 116 | L73 N74 K75 R79 R157 | L73-K77 PolarHBondContact O-N 3.19Å; N74-K77 WeakPolarHBondContact O-CA 3.46Å; N74-K77 PolarHBondContact O-N 3.07Å; K75-K77 PolarHBondContact O-N 2.84Å; K77-R79 PolarHBondContact O-N 3Å; K77-R157 PolarHBondContact NZ-O 2.97Å |
| 78 | Y | 89 | Confident | 90 | Very high | 55 Ų | 55 | 61.1 Ų | 61.1 | 22% | 0.216 | 27% | 0.271 | C | S | . | . | trans | -72.2 | -4.4 | -178.7 | -80.7 | -108.4 | 0 | 0 | 0 | 115.2 | L73 L76 A80 V88 F92 S95 H96 R157 | L73-Y78 WeakPolarHBondContact O-CB 3.29Å; L73-Y78 PolarHBondContact O-N 3.25Å; L76-Y78 VanDerWaalsContact C-N 3.31Å; L76-Y78 HydrophobicContact CB-CD2 3.78Å; L76-Y78 HydrophobicContact CB-CE2 4.14Å; L76-Y78 VanDerWaalsContact O-CD2 3.3Å; L76-Y78 WeakPolarHBondContact O-CD2 3.24Å; L76-Y78 PolarHBondContact O-N 2.99Å; Y78-A80 PolarHBondContact O-N 3.12Å; Y78-V88 HydrophobicContact CD1-CG1 4.28Å; Y78-V88 HydrophobicContact CG-CG1 4.45Å; Y78-F92 HydrophobicContact CD1-CB 4.2Å; Y78-F92 HydrophobicContact CE1-CB 3.85Å; Y78-F92 HydrophobicContact CE1-CD2 4.39Å; Y78-F92 AromaticContact CE2-CD2 3.93Å; Y78-F92 HydrophobicContact CE2-CD2 3.93Å; Y78-F92 AromaticContact CZ-CD2 3.84Å; Y78-S95 PolarHBondContact OH-OG 3Å; Y78-H96 PolarHBondContact OH-CD2 2.78Å; Y78-H96 PolarHBondContact OH-NE2 3.19Å; Y78-H96 VanDerWaalsContact OH-NE2 3.09Å; Y78-R157 PolarHBondContact OH-NH1 3.16Å | ||
| 79 | R | 88.5 | Confident | 90.2 | Very high | 217 Ų | 217 | 60.3 Ų | 60.3 | 82% | 0.819 | 27% | 0.267 | S | S | * | . | trans | 57.9 | 38.1 | 175.9 | -61.8 | -173.3 | 177.1 | -169.9 | 0.1 | 114.9 | N74 K77 | N74-R79 WeakPolarHBondContact OD1-CA 3.41Å; N74-R79 PolarHBondContact OD1-N 3.35Å; K77-R79 PolarHBondContact O-N 3Å | ||
| 80 | A | 90.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | trans | -62 | 144.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V70 L73 N74 Y78 W85 V88 | V70-A80 HydrophobicContact CG2-CB 4.26Å; L73-A80 HydrophobicContact CB-CB 3.76Å; L73-A80 HydrophobicContact CD1-CB 3.96Å; N74-A80 PolarHBondContact ND2-O 3.32Å; N74-A80 PolarHBondContact OD1-N 2.89Å; N74-A80 VanDerWaalsContact OD1-N 3.09Å; Y78-A80 PolarHBondContact O-N 3.12Å; A80-W85 HydrophobicContact CB-CB 4.3Å; A80-V88 HydrophobicContact CB-CB 4.33Å; A80-V88 HydrophobicContact CB-CG1 4.06Å | ||
| 81 | R | 88.2 | Confident | 90.2 | Very high | 179 Ų | 179 | 66.1 Ų | 66.1 | 68% | 0.675 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -115.4 | 146.5 | 172.7 | -67.3 | -173.6 | 179.2 | -171.9 | 1.2 | 110.5 | D83 R84 W85 | R81-D83 PolarHBondContact O-N 2.84Å; R81-D83 VanDerWaalsContact O-N 3.11Å; R81-R84 CarbonylContact O-C 3.5Å; R81-R84 VanDerWaalsContact O-C 3.31Å; R81-R84 PolarHBondContact O-N 2.57Å; R81-W85 WeakPolarHBondContact O-CB 3.48Å; R81-W85 PolarHBondContact O-N 2.74Å; R81-W85 VanDerWaalsContact O-N 3.13Å |
| 82 | P | 86.1 | Confident | 90.3 | Very high | 64 Ų | 64 | 60.4 Ų | 60.4 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -32.7 | 175.8 | -28 | 36.5 | 0 | 0 | 0 | 114.7 | V70 W85 | V70-P82 HydrophobicContact CG1-CG 4.47Å; P82-W85 VanDerWaalsContact O-CD1 3.27Å |
| 83 | D | 83.8 | Confident | 90.2 | Very high | 145 Ų | 145 | 60.3 Ų | 60.3 | 78% | 0.775 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -10 | -177 | -28.4 | -77.5 | 0 | 0 | 0 | 113.7 | R81 | R81-D83 PolarHBondContact O-N 2.84Å; R81-D83 VanDerWaalsContact O-N 3.11Å |
| 84 | R | 86.1 | Confident | 90 | Very high | 142 Ų | 142 | 63.6 Ų | 63.6 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -158.9 | 58 | -174 | -166.5 | 170 | 170 | 175.5 | -4.7 | 111.1 | R81 P87 V88 E114 | R81-R84 CarbonylContact O-C 3.5Å; R81-R84 VanDerWaalsContact O-C 3.31Å; R81-R84 PolarHBondContact O-N 2.57Å; R84-P87 HydrophobicContact CG-CG 3.93Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; R84-E114 IonicContact CZ-OE1 2.7Å; R84-E114 IonicContact CZ-OE2 2.72Å; R84-E114 IonicContact NE-OE1 3.79Å; R84-E114 PolarHBondContact NE-OE1 3.44Å; R84-E114 IonicContact NE-OE2 3.54Å; R84-E114 IonicContact NH2-OE1 2.64Å; R84-E114 PolarHBondContact NH2-OE1 2.93Å; R84-E114 IonicContact NH2-OE2 3.81Å; R84-E114 PolarHBondContact NH2-OE2 2.63Å |
| 85 | W | 90.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 63 Ų | 63 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | trans | -94.8 | -29.4 | 176.3 | 63.1 | -82.9 | 0 | 0 | 0 | 112.9 | E66 H69 V70 A80 R81 P82 V88 L89 Y135 | E66-W85 HydrophobicContact CG-CZ2 4.09Å; H69-W85 HydrophobicContact CB-CD2 4.31Å; H69-W85 HydrophobicContact CB-CE3 3.58Å; H69-W85 HydrophobicContact CB-CZ3 3.69Å; H69-W85 AromaticContact CD2-CZ3 4Å; H69-W85 AromaticContact CG-CE3 3.99Å; H69-W85 AromaticContact CG-CZ3 3.54Å; H69-W85 AromaticContact ND1-CH2 3.9Å; H69-W85 AromaticContact ND1-CZ3 3.74Å; V70-W85 HydrophobicContact CG2-CB 3.62Å; V70-W85 HydrophobicContact CG2-CG 3.99Å; A80-W85 HydrophobicContact CB-CB 4.3Å; R81-W85 WeakPolarHBondContact O-CB 3.48Å; R81-W85 PolarHBondContact O-N 2.74Å; R81-W85 VanDerWaalsContact O-N 3.13Å; P82-W85 VanDerWaalsContact O-CD1 3.27Å; W85-V88 CarbonylContact O-C 3.55Å; W85-V88 WeakPolarHBondContact O-CA 3.48Å; W85-V88 WeakPolarHBondContact O-CB 3.25Å; W85-V88 PolarHBondContact O-N 3Å; W85-L89 HydrophobicContact CE3-CD2 4.39Å; W85-L89 HydrophobicContact CZ3-CD2 3.9Å; W85-L89 PolarHBondContact O-N 3.41Å; W85-Y135 HydrophobicContact CH2-CD1 4.2Å; W85-Y135 HydrophobicContact CH2-CD2 4.29Å; W85-Y135 AromaticContact CH2-CG 3.84Å; W85-Y135 HydrophobicContact CH2-CG 3.84Å; W85-Y135 HydrophobicContact CZ3-CD2 4.34Å; W85-Y135 HydrophobicContact CZ3-CG 4.34Å | ||
| 86 | E | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.019 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.3 | -47.6 | 179.9 | -44.2 | -161.7 | 108.3 | 0 | 0 | 112.7 | V88 L89 G90 L110 Y131 S133 S134 Y135 | E86-V88 PolarHBondContact O-N 3.45Å; E86-L89 PolarHBondContact O-N 2.59Å; E86-G90 PolarHBondContact O-N 3.24Å; E86-L110 CarbonylContact C-O 3.48Å; E86-L110 HydrophobicContact CB-CD2 3.89Å; E86-Y131 PolarHBondContact OE2-OH 2.81Å; E86-S133 VanDerWaalsContact OE1-CB 3.25Å; E86-S133 WeakPolarHBondContact OE1-CB 3.14Å; E86-S133 PolarHBondContact OE1-OG 3.45Å; E86-S134 VanDerWaalsContact CD-N 3.29Å; E86-S134 PolarHBondContact OE1-N 3.07Å; E86-S134 WeakPolarHBondContact OE2-CB 3.45Å; E86-S134 PolarHBondContact OE2-N 3.37Å; E86-S134 PolarHBondContact OE2-OG 3.37Å; E86-S134 VanDerWaalsContact OE2-OG 3.12Å; E86-Y135 WeakPolarHBondContact OE1-CB 3.32Å; E86-Y135 PolarHBondContact OE1-N 3.25Å |
| 87 | P | 90.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.4 | -9.4 | 176.9 | -8.8 | 24.6 | 0 | 0 | 0 | 113.9 | R84 R91 S113 E114 | R84-P87 HydrophobicContact CG-CG 3.93Å; P87-R91 PolarHBondContact O-NE 2.89Å; P87-R91 PolarHBondContact O-NH2 3.47Å; P87-S113 WeakPolarHBondContact CG-OG 2.26Å; P87-E114 HydrophobicContact CB-CG 3.74Å; P87-E114 WeakPolarHBondContact CB-OE1 2.98Å; P87-E114 HydrophobicContact CG-CG 3.33Å; P87-E114 WeakPolarHBondContact CG-OE1 2.24Å |
| 88 | V | 91.8 | Very high | 88.7 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -87.6 | -37.6 | 172 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | L73 Y78 A80 R84 W85 E86 R91 F92 | L73-V88 HydrophobicContact CD1-CB 4.45Å; L73-V88 HydrophobicContact CD1-CG1 4.27Å; Y78-V88 HydrophobicContact CD1-CG1 4.28Å; Y78-V88 HydrophobicContact CG-CG1 4.45Å; A80-V88 HydrophobicContact CB-CB 4.33Å; A80-V88 HydrophobicContact CB-CG1 4.06Å; R84-V88 WeakPolarHBondContact O-CG2 3.3Å; W85-V88 CarbonylContact O-C 3.55Å; W85-V88 WeakPolarHBondContact O-CA 3.48Å; W85-V88 WeakPolarHBondContact O-CB 3.25Å; W85-V88 PolarHBondContact O-N 3Å; E86-V88 PolarHBondContact O-N 3.45Å; V88-R91 PolarHBondContact O-N 3.09Å; V88-F92 WeakPolarHBondContact O-CB 3.25Å; V88-F92 PolarHBondContact O-N 3.46Å |
| 89 | L | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 170.1 | -173.6 | 62.7 | 0 | 0 | 0 | 111 | L73 W85 E86 R91 F92 L93 L110 Y135 L150 | L73-L89 HydrophobicContact CD1-CB 4.2Å; L73-L89 HydrophobicContact CD1-CD1 4.49Å; L73-L89 HydrophobicContact CD2-CD1 4.36Å; W85-L89 HydrophobicContact CE3-CD2 4.39Å; W85-L89 HydrophobicContact CZ3-CD2 3.9Å; W85-L89 PolarHBondContact O-N 3.41Å; E86-L89 PolarHBondContact O-N 2.59Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.19Å; L89-F92 HydrophobicContact CD1-CD1 3.95Å; L89-F92 CarbonylContact O-C 3.58Å; L89-F92 WeakPolarHBondContact O-CA 3.39Å; L89-F92 WeakPolarHBondContact O-CB 3.42Å; L89-F92 PolarHBondContact O-N 2.92Å; L89-L93 HydrophobicContact CD1-CG 4.41Å; L89-L93 HydrophobicContact CG-CD1 4.12Å; L89-L93 HydrophobicContact CG-CG 4.37Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.06Å; L89-L110 HydrophobicContact CB-CD1 4.43Å; L89-L110 HydrophobicContact CD2-CD1 4Å; L89-L110 HydrophobicContact CG-CD1 4.09Å; L89-Y135 HydrophobicContact CD2-CD2 3.89Å; L89-Y135 HydrophobicContact CD2-CE2 4Å; L89-L150 HydrophobicContact CD1-CD1 4.47Å; L89-L150 HydrophobicContact CD1-CD2 4.16Å |
| 90 | G | 91 | Very high | 88 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | E86 L93 L94 | E86-G90 PolarHBondContact O-N 3.24Å; G90-L93 PolarHBondContact O-N 3.45Å; G90-L94 PolarHBondContact O-N 2.96Å |
| 91 | R | 91.2 | Very high | 87.5 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | 172.6 | -83.5 | 179.3 | -73.5 | 172.6 | -7.7 | 113.9 | P87 V88 L89 S95 L111 | P87-R91 PolarHBondContact O-NE 2.89Å; P87-R91 PolarHBondContact O-NH2 3.47Å; V88-R91 PolarHBondContact O-N 3.09Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.19Å; R91-S95 PolarHBondContact O-N 2.9Å; R91-S95 PolarHBondContact O-OG 3.36Å; R91-L111 HydrophobicContact CG-CD2 3.83Å |
| 92 | F | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 172.5 | 162.2 | -91.8 | 0 | 0 | 0 | 110.3 | L73 L76 Y78 V88 L89 L94 S95 H96 L150 T153 | L73-F92 HydrophobicContact CD2-CB 3.79Å; L73-F92 HydrophobicContact CD2-CD2 4.35Å; L73-F92 HydrophobicContact CD2-CG 3.96Å; L76-F92 HydrophobicContact CD1-CD2 4.1Å; L76-F92 HydrophobicContact CD1-CE2 3.7Å; L76-F92 HydrophobicContact CD1-CZ 4.41Å; Y78-F92 HydrophobicContact CD1-CB 4.2Å; Y78-F92 HydrophobicContact CE1-CB 3.85Å; Y78-F92 HydrophobicContact CE1-CD2 4.39Å; Y78-F92 AromaticContact CE2-CD2 3.93Å; Y78-F92 HydrophobicContact CE2-CD2 3.93Å; Y78-F92 AromaticContact CZ-CD2 3.84Å; V88-F92 WeakPolarHBondContact O-CB 3.25Å; V88-F92 PolarHBondContact O-N 3.46Å; L89-F92 HydrophobicContact CD1-CD1 3.95Å; L89-F92 CarbonylContact O-C 3.58Å; L89-F92 WeakPolarHBondContact O-CA 3.39Å; L89-F92 WeakPolarHBondContact O-CB 3.42Å; L89-F92 PolarHBondContact O-N 2.92Å; F92-L94 PolarHBondContact O-N 3.09Å; F92-S95 CarbonylContact O-C 3.53Å; F92-S95 WeakPolarHBondContact O-CA 3.39Å; F92-S95 PolarHBondContact O-N 3.38Å; F92-S95 PolarHBondContact O-OG 2.78Å; F92-H96 AromaticContact CD2-CD2 3.45Å; F92-H96 VanDerWaalsContact CD2-CD2 3.45Å; F92-H96 WeakPolarHBondContact CD2-CD2 3.23Å; F92-H96 AromaticContact CD2-NE2 3.99Å; F92-H96 HydrophobicContact CE2-CB 4.4Å; F92-H96 AromaticContact CE2-CD2 3.27Å; F92-H96 WeakPolarHBondContact CE2-CD2 3.45Å; F92-H96 AromaticContact CE2-CG 3.94Å; F92-H96 AromaticContact CE2-NE2 3.79Å; F92-H96 HydrophobicContact CZ-CB 4.28Å; F92-H96 AromaticContact CZ-CD2 3.99Å; F92-H96 PolarHBondContact O-CD2 2.95Å; F92-H96 PolarHBondContact O-N 3.07Å; F92-L150 HydrophobicContact CD1-CD1 4.03Å; F92-L150 HydrophobicContact CD2-CD1 4.34Å; F92-L150 HydrophobicContact CE1-CB 4.09Å; F92-L150 HydrophobicContact CE1-CD1 3.82Å; F92-L150 HydrophobicContact CE2-CD1 4.15Å; F92-L150 HydrophobicContact CG-CD1 4.31Å; F92-L150 HydrophobicContact CZ-CB 4.34Å; F92-L150 HydrophobicContact CZ-CD1 3.9Å; F92-T153 HydrophobicContact CE2-CG2 4.11Å; F92-T153 WeakPolarHBondContact CE2-OG1 3.5Å; F92-T153 HydrophobicContact CZ-CG2 3.96Å; F92-T153 VanDerWaalsContact CZ-OG1 3.3Å; F92-T153 WeakPolarHBondContact CZ-OG1 3.27Å |
| 93 | L | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | -179.1 | -68.7 | 173.4 | 0 | 0 | 0 | 112.4 | L89 G90 S95 H96 G97 I103 A107 L110 T146 | L89-L93 HydrophobicContact CD1-CG 4.41Å; L89-L93 HydrophobicContact CG-CD1 4.12Å; L89-L93 HydrophobicContact CG-CG 4.37Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 3.06Å; G90-L93 PolarHBondContact O-N 3.45Å; L93-S95 PolarHBondContact O-N 3.42Å; L93-S95 VanDerWaalsContact O-N 3.07Å; L93-H96 PolarHBondContact O-N 3.07Å; L93-G97 PolarHBondContact O-N 2.89Å; L93-I103 HydrophobicContact CB-CG2 3.75Å; L93-I103 HydrophobicContact CD1-CG2 4.31Å; L93-I103 HydrophobicContact CD2-CD1 4.26Å; L93-I103 HydrophobicContact CD2-CG2 3.95Å; L93-I103 HydrophobicContact CG-CG2 4.2Å; L93-A107 HydrophobicContact CB-CB 3.97Å; L93-L110 HydrophobicContact CD1-CD1 3.69Å; L93-T146 HydrophobicContact CD1-CG2 3.63Å; L93-T146 HydrophobicContact CD2-CG2 3.84Å; L93-T146 HydrophobicContact CG-CG2 4.4Å |
| 94 | L | 88.9 | Confident | 87.1 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 36% | 0.356 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.5 | 172.3 | -69.3 | -172.7 | 0 | 0 | 0 | 114.3 | G90 F92 L98 A107 L111 | G90-L94 PolarHBondContact O-N 2.96Å; F92-L94 PolarHBondContact O-N 3.09Å; L94-L98 HydrophobicContact CD2-CD2 3.94Å; L94-L98 WeakPolarHBondContact O-CD1 3.42Å; L94-A107 HydrophobicContact CD2-CB 3.72Å; L94-A107 HydrophobicContact CG-CB 3.81Å; L94-L111 HydrophobicContact CD1-CD1 3.65Å; L94-L111 HydrophobicContact CG-CD1 4.44Å |
| 95 | S | 87.6 | Confident | 86.9 | Confident | 57 Ų | 57 | 46 Ų | 46 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -3.2 | 179.4 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | Y78 R91 F92 L93 | Y78-S95 PolarHBondContact OH-OG 3Å; R91-S95 PolarHBondContact O-N 2.9Å; R91-S95 PolarHBondContact O-OG 3.36Å; F92-S95 CarbonylContact O-C 3.53Å; F92-S95 WeakPolarHBondContact O-CA 3.39Å; F92-S95 PolarHBondContact O-N 3.38Å; F92-S95 PolarHBondContact O-OG 2.78Å; L93-S95 PolarHBondContact O-N 3.42Å; L93-S95 VanDerWaalsContact O-N 3.07Å |
| 96 | H | 88 | Confident | 86.7 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | -55.8 | -175.8 | -68.7 | -77.2 | 0 | 0 | 0 | 113.4 | Y78 F92 L93 L98 H99 T153 R157 | Y78-H96 PolarHBondContact OH-CD2 2.78Å; Y78-H96 PolarHBondContact OH-NE2 3.19Å; Y78-H96 VanDerWaalsContact OH-NE2 3.09Å; F92-H96 AromaticContact CD2-CD2 3.45Å; F92-H96 VanDerWaalsContact CD2-CD2 3.45Å; F92-H96 WeakPolarHBondContact CD2-CD2 3.23Å; F92-H96 AromaticContact CD2-NE2 3.99Å; F92-H96 HydrophobicContact CE2-CB 4.4Å; F92-H96 AromaticContact CE2-CD2 3.27Å; F92-H96 WeakPolarHBondContact CE2-CD2 3.45Å; F92-H96 AromaticContact CE2-CG 3.94Å; F92-H96 AromaticContact CE2-NE2 3.79Å; F92-H96 HydrophobicContact CZ-CB 4.28Å; F92-H96 AromaticContact CZ-CD2 3.99Å; F92-H96 PolarHBondContact O-CD2 2.95Å; F92-H96 PolarHBondContact O-N 3.07Å; L93-H96 PolarHBondContact O-N 3.07Å; H96-L98 PolarHBondContact O-N 2.95Å; H96-L98 VanDerWaalsContact O-N 3.15Å; H96-H99 PolarHBondContact O-CE1 3.34Å; H96-H99 VanDerWaalsContact O-CE1 3.32Å; H96-H99 PolarHBondContact O-ND1 3.22Å; H96-T153 HydrophobicContact CB-CG2 4.21Å; H96-R157 PolarHBondContact CE1-NE 3.38Å; H96-R157 PolarHBondContact CE1-NH2 3.43Å; H96-R157 VanDerWaalsContact CE1-NH2 3.31Å; H96-R157 VanDerWaalsContact NE2-CZ 3.28Å; H96-R157 PolarHBondContact NE2-NH1 3.48Å; H96-R157 VanDerWaalsContact NE2-NH1 3.2Å |
| 97 | G | 81.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -81 | 16.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L93 H99 I100 I103 | L93-G97 PolarHBondContact O-N 2.89Å; G97-H99 PolarHBondContact O-N 3.23Å; G97-H99 VanDerWaalsContact O-N 3.17Å; G97-I100 PolarHBondContact O-N 2.89Å; G97-I100 VanDerWaalsContact O-N 3.1Å; G97-I103 WeakPolarHBondContact O-CB 3.45Å; G97-I103 WeakPolarHBondContact O-CG2 3.08Å |
| 98 | L | 81.9 | Confident | 86.3 | Confident | 114 Ų | 114 | 49.5 Ų | 49.5 | 60% | 0.597 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -64.6 | -14.2 | 177.1 | -69 | -178.9 | 0 | 0 | 0 | 113.7 | L94 H96 I100 | L94-L98 HydrophobicContact CD2-CD2 3.94Å; L94-L98 WeakPolarHBondContact O-CD1 3.42Å; H96-L98 PolarHBondContact O-N 2.95Å; H96-L98 VanDerWaalsContact O-N 3.15Å; L98-I100 VanDerWaalsContact C-N 3.31Å |
| 99 | H | 80.4 | Confident | 86 | Confident | 145 Ų | 145 | 52.9 Ų | 52.9 | 67% | 0.671 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -86.6 | 1.8 | 175.5 | 65.3 | -87.5 | 0 | 0 | 0 | 113.3 | H96 G97 | H96-H99 PolarHBondContact O-CE1 3.34Å; H96-H99 VanDerWaalsContact O-CE1 3.32Å; H96-H99 PolarHBondContact O-ND1 3.22Å; G97-H99 PolarHBondContact O-N 3.23Å; G97-H99 VanDerWaalsContact O-N 3.17Å |
| 100 | I | 81.6 | Confident | 85.8 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 16% | 0.159 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -117.2 | 129.2 | -171.6 | -51.1 | 178.7 | 0 | 0 | 0 | 110.4 | G97 L98 G102 I103 K145 C149 | G97-I100 PolarHBondContact O-N 2.89Å; G97-I100 VanDerWaalsContact O-N 3.1Å; L98-I100 VanDerWaalsContact C-N 3.31Å; I100-G102 PolarHBondContact O-N 3.12Å; I100-I103 HydrophobicContact CB-CB 4.41Å; I100-I103 HydrophobicContact CB-CD1 3.64Å; I100-I103 HydrophobicContact CB-CG1 3.87Å; I100-I103 HydrophobicContact CD1-CD1 3.86Å; I100-I103 HydrophobicContact CG1-CD1 4.26Å; I100-I103 HydrophobicContact CG2-CD1 3.67Å; I100-I103 HydrophobicContact CG2-CG1 3.87Å; I100-I103 WeakPolarHBondContact O-CB 3.44Å; I100-I103 PolarHBondContact O-N 3.08Å; I100-K145 HydrophobicContact CG2-CB 4.05Å; I100-K145 HydrophobicContact CG2-CD 3.68Å; I100-K145 HydrophobicContact CG2-CG 4.21Å; I100-C149 HydrophobicContact CD1-CB 3.99Å |
| 101 | D | 80.2 | Confident | 85.6 | Confident | 98 Ų | 98 | 55.2 Ų | 55.2 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 135.9 | -177.3 | -57.8 | -60.1 | 0 | 0 | 0 | 113.6 | I103 | D101-I103 PolarHBondContact O-N 3.19Å; D101-I103 VanDerWaalsContact O-N 3.14Å |
| 102 | G | 79.7 | Confident | 85 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -9.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I100 Q104 T105 A106 | I100-G102 PolarHBondContact O-N 3.12Å; G102-Q104 VanDerWaalsContact C-N 3.33Å; G102-Q104 PolarHBondContact O-N 2.97Å; G102-T105 PolarHBondContact O-N 3.37Å; G102-A106 PolarHBondContact O-N 3.46Å; G102-A106 VanDerWaalsContact O-N 3.08Å |
| 103 | I | 84.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -27.8 | -176.3 | -68.4 | -157.4 | 0 | 0 | 0 | 112.9 | L93 G97 I100 D101 A106 A107 K145 T146 | L93-I103 HydrophobicContact CB-CG2 3.75Å; L93-I103 HydrophobicContact CD1-CG2 4.31Å; L93-I103 HydrophobicContact CD2-CD1 4.26Å; L93-I103 HydrophobicContact CD2-CG2 3.95Å; L93-I103 HydrophobicContact CG-CG2 4.2Å; G97-I103 WeakPolarHBondContact O-CB 3.45Å; G97-I103 WeakPolarHBondContact O-CG2 3.08Å; I100-I103 HydrophobicContact CB-CB 4.41Å; I100-I103 HydrophobicContact CB-CD1 3.64Å; I100-I103 HydrophobicContact CB-CG1 3.87Å; I100-I103 HydrophobicContact CD1-CD1 3.86Å; I100-I103 HydrophobicContact CG1-CD1 4.26Å; I100-I103 HydrophobicContact CG2-CD1 3.67Å; I100-I103 HydrophobicContact CG2-CG1 3.87Å; I100-I103 WeakPolarHBondContact O-CB 3.44Å; I100-I103 PolarHBondContact O-N 3.08Å; D101-I103 PolarHBondContact O-N 3.19Å; D101-I103 VanDerWaalsContact O-N 3.14Å; I103-A106 PolarHBondContact O-N 3.26Å; I103-A107 VanDerWaalsContact O-CB 3.29Å; I103-A107 WeakPolarHBondContact O-CB 3.12Å; I103-A107 PolarHBondContact O-N 3.09Å; I103-K145 HydrophobicContact CD1-CB 4.36Å; I103-T146 HydrophobicContact CD1-CG2 3.96Å; I103-T146 HydrophobicContact CG1-CG2 4.33Å |
| 104 | Q | 84.1 | Confident | 82.3 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 54% | 0.542 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -54.2 | 172.4 | -178.8 | 178.4 | -20.8 | 0 | 0 | 111.2 | G102 A106 A107 E108 | G102-Q104 VanDerWaalsContact C-N 3.33Å; G102-Q104 PolarHBondContact O-N 2.97Å; Q104-A106 VanDerWaalsContact C-N 3.26Å; Q104-A106 PolarHBondContact O-N 3.43Å; Q104-A107 PolarHBondContact O-N 3.2Å; Q104-A107 VanDerWaalsContact O-N 3.1Å; Q104-E108 VanDerWaalsContact CG-OE1 3.31Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.14Å; Q104-E108 PolarHBondContact NE2-OE1 3.18Å; Q104-E108 WeakPolarHBondContact O-CG 3.44Å; Q104-E108 PolarHBondContact O-N 2.62Å |
| 105 | T | 83.2 | Confident | 80 | Confident | 87 Ų | 87 | 60.3 Ų | 60.3 | 53% | 0.534 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58 | -39.9 | 177.4 | -41.9 | 0 | 0 | 0 | 0 | 111.5 | G102 E108 L109 | G102-T105 PolarHBondContact O-N 3.37Å; T105-E108 PolarHBondContact O-N 3.09Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.32Å; T105-L109 PolarHBondContact O-N 2.89Å |
| 106 | A | 86.1 | Confident | 77.8 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 3% | 0.025 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G102 I103 Q104 L109 L110 L138 V142 | G102-A106 PolarHBondContact O-N 3.46Å; G102-A106 VanDerWaalsContact O-N 3.08Å; I103-A106 PolarHBondContact O-N 3.26Å; Q104-A106 VanDerWaalsContact C-N 3.26Å; Q104-A106 PolarHBondContact O-N 3.43Å; A106-L109 PolarHBondContact O-N 2.22Å; A106-L110 WeakPolarHBondContact O-CB 3.3Å; A106-L110 VanDerWaalsContact O-CG 3.24Å; A106-L110 WeakPolarHBondContact O-CG 3.35Å; A106-L110 PolarHBondContact O-N 2.75Å; A106-L138 HydrophobicContact CB-CD1 4.11Å; A106-L138 HydrophobicContact CB-CD2 3.69Å; A106-V142 HydrophobicContact CB-CG1 3.65Å |
| 107 | A | 88 | Confident | 75.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L93 L94 I103 Q104 L110 L111 | L93-A107 HydrophobicContact CB-CB 3.97Å; L94-A107 HydrophobicContact CD2-CB 3.72Å; L94-A107 HydrophobicContact CG-CB 3.81Å; I103-A107 VanDerWaalsContact O-CB 3.29Å; I103-A107 WeakPolarHBondContact O-CB 3.12Å; I103-A107 PolarHBondContact O-N 3.09Å; Q104-A107 PolarHBondContact O-N 3.2Å; Q104-A107 VanDerWaalsContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 3.34Å; A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 WeakPolarHBondContact O-CD1 3.03Å; A107-L111 WeakPolarHBondContact O-CG 2.24Å; A107-L111 PolarHBondContact O-N 2.24Å |
| 108 | E | 86.1 | Confident | 73.2 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 42% | 0.416 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.5 | -71.4 | 173.9 | -165 | 0 | 0 | 111.7 | Q104 T105 L110 L111 N112 | Q104-E108 VanDerWaalsContact CG-OE1 3.31Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.14Å; Q104-E108 PolarHBondContact NE2-OE1 3.18Å; Q104-E108 WeakPolarHBondContact O-CG 3.44Å; Q104-E108 PolarHBondContact O-N 2.62Å; T105-E108 PolarHBondContact O-N 3.09Å; E108-L110 PolarHBondContact O-N 3.03Å; E108-L111 PolarHBondContact O-N 2.22Å; E108-N112 WeakPolarHBondContact O-CB 3.45Å; E108-N112 VanDerWaalsContact O-CG 3.24Å; E108-N112 PolarHBondContact O-N 3.42Å; E108-N112 PolarHBondContact O-ND2 3.34Å |
| 109 | L | 85.9 | Confident | 71.2 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 44% | 0.44 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 173.4 | -72.6 | 170.1 | 0 | 0 | 0 | 112.6 | T105 A106 N112 L138 | T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.32Å; T105-L109 PolarHBondContact O-N 2.89Å; A106-L109 PolarHBondContact O-N 2.22Å; L109-N112 PolarHBondContact O-N 2.19Å; L109-L138 HydrophobicContact CB-CD2 4.38Å; L109-L138 HydrophobicContact CD1-CD2 4.03Å |
| 110 | L | 87.3 | Confident | 69.4 | Low | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -68.9 | -32.4 | 177.9 | -75 | 168.8 | 0 | 0 | 0 | 113 | E86 L89 L93 A106 A107 E108 S113 Y135 L138 | E86-L110 CarbonylContact C-O 3.48Å; E86-L110 HydrophobicContact CB-CD2 3.89Å; L89-L110 HydrophobicContact CB-CD1 4.43Å; L89-L110 HydrophobicContact CD2-CD1 4Å; L89-L110 HydrophobicContact CG-CD1 4.09Å; L93-L110 HydrophobicContact CD1-CD1 3.69Å; A106-L110 WeakPolarHBondContact O-CB 3.3Å; A106-L110 VanDerWaalsContact O-CG 3.24Å; A106-L110 WeakPolarHBondContact O-CG 3.35Å; A106-L110 PolarHBondContact O-N 2.75Å; A107-L110 PolarHBondContact O-N 3.34Å; E108-L110 PolarHBondContact O-N 3.03Å; L110-S113 WeakPolarHBondContact O-CB 3.12Å; L110-S113 PolarHBondContact O-OG 3.08Å; L110-Y135 HydrophobicContact CD2-CD2 4.44Å; L110-L138 HydrophobicContact CD1-CD1 4.1Å; L110-L138 HydrophobicContact CG-CD1 4.33Å |
| 111 | L | 87 | Confident | 67.3 | Low | 48 Ų | 48 | 83.6 Ų | 83.6 | 25% | 0.251 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 174.8 | -70.7 | 166.5 | 0 | 0 | 0 | 112 | R91 L94 A107 E108 S113 | R91-L111 HydrophobicContact CG-CD2 3.83Å; L94-L111 HydrophobicContact CD1-CD1 3.65Å; L94-L111 HydrophobicContact CG-CD1 4.44Å; A107-L111 WeakPolarHBondContact O-CB 3.46Å; A107-L111 WeakPolarHBondContact O-CD1 3.03Å; A107-L111 WeakPolarHBondContact O-CG 2.24Å; A107-L111 PolarHBondContact O-N 2.24Å; E108-L111 PolarHBondContact O-N 2.22Å; L111-S113 PolarHBondContact O-N 3.37Å; L111-S113 VanDerWaalsContact O-N 3.14Å |
| 112 | N | 77.9 | Confident | 65.1 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.4 | -9 | -178.2 | -70.9 | -24.5 | 0 | 0 | 0 | 113.9 | E108 L109 E114 | E108-N112 WeakPolarHBondContact O-CB 3.45Å; E108-N112 VanDerWaalsContact O-CG 3.24Å; E108-N112 PolarHBondContact O-N 3.42Å; E108-N112 PolarHBondContact O-ND2 3.34Å; L109-N112 PolarHBondContact O-N 2.19Å; N112-E114 PolarHBondContact O-N 2.72Å |
| 113 | S | 69.3 | Low | 63.1 | Low | 25 Ų | 25 | 87.5 Ų | 87.5 | 18% | 0.175 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -57.9 | -16 | 173.4 | 68.1 | 0 | 0 | 0 | 0 | 114.9 | P87 L110 L111 C115 S134 | P87-S113 WeakPolarHBondContact CG-OG 2.26Å; L110-S113 WeakPolarHBondContact O-CB 3.12Å; L110-S113 PolarHBondContact O-OG 3.08Å; L111-S113 PolarHBondContact O-N 3.37Å; L111-S113 VanDerWaalsContact O-N 3.14Å; S113-C115 VanDerWaalsContact C-N 3.29Å; S113-C115 PolarHBondContact O-N 3.17Å; S113-S134 WeakPolarHBondContact CB-OG 2.27Å |
| 114 | E | 58.2 | Low | 60.8 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 41% | 0.407 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -74.5 | -7.5 | -176.5 | -59.5 | -160.1 | 148.7 | 0 | 0 | 115.3 | R84 P87 N112 G116 | R84-E114 IonicContact CZ-OE1 2.7Å; R84-E114 IonicContact CZ-OE2 2.72Å; R84-E114 IonicContact NE-OE1 3.79Å; R84-E114 PolarHBondContact NE-OE1 3.44Å; R84-E114 IonicContact NE-OE2 3.54Å; R84-E114 IonicContact NH2-OE1 2.64Å; R84-E114 PolarHBondContact NH2-OE1 2.93Å; R84-E114 IonicContact NH2-OE2 3.81Å; R84-E114 PolarHBondContact NH2-OE2 2.63Å; P87-E114 HydrophobicContact CB-CG 3.74Å; P87-E114 WeakPolarHBondContact CB-OE1 2.98Å; P87-E114 HydrophobicContact CG-CG 3.33Å; P87-E114 WeakPolarHBondContact CG-OE1 2.24Å; N112-E114 PolarHBondContact O-N 2.72Å; E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 3.36Å |
| 115 | C | 40.7 | Very low | 58.9 | Low | 87 Ų | 87 | 91.2 Ų | 91.2 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -79.8 | 10.4 | -171.5 | -72.4 | 0 | 0 | 0 | 0 | 116.6 | S113 N117 | S113-C115 VanDerWaalsContact C-N 3.29Å; S113-C115 PolarHBondContact O-N 3.17Å; C115-N117 PolarHBondContact O-N 3.22Å |
| 116 | G | 43.3 | Very low | 56.7 | Low | 73 Ų | 73 | 92.3 Ų | 92.3 | 75% | 0.753 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -6.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118 | E114 | E114-G116 VanDerWaalsContact C-N 3.29Å; E114-G116 PolarHBondContact O-N 3.36Å |
| 117 | N | 37.5 | Very low | 54.4 | Low | 155 Ų | 155 | 98.7 Ų | 98.7 | 83% | 0.829 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 9.9 | -173.6 | -74.9 | -28.9 | 0 | 0 | 0 | 114.9 | C115 | C115-N117 PolarHBondContact O-N 3.22Š|
| 118 | N | 34.1 | Very low | 52.1 | Low | 110 Ų | 110 | 103.5 Ų | 103.5 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | trans | -94 | 100.1 | 177.7 | -74.3 | -30.6 | 0 | 0 | 0 | 110.8 | K120 | N118-K120 PolarHBondContact O-N 3.1Š| ||
| 119 | E | 40.1 | Very low | 49.8 | Very low | 199 Ų | 199 | 103.6 Ų | 103.6 | 93% | 0.93 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 36.8 | 179.2 | -57.3 | -178.1 | 124.8 | 0 | 0 | 114.5 | ||
| 120 | K | 42.2 | Very low | 48.3 | Very low | 194 Ų | 194 | 102.3 Ų | 102.3 | 84% | 0.843 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | 4.1 | -166.6 | -119 | 173.9 | -176.3 | 175.9 | 0 | 117.5 | N118 | N118-K120 PolarHBondContact O-N 3.1Š|
| 121 | L | 38.6 | Very low | 47 | Very low | 146 Ų | 146 | 111 Ų | 111 | 76% | 0.764 | 60% | 0.6 | S | S | * | * | trans | -123 | 7.9 | 174.3 | -95.4 | 161.6 | 0 | 0 | 0 | 113.9 | V123 | L121-V123 PolarHBondContact O-N 3.14Š| ||
| 122 | D | 34.3 | Very low | 46 | Very low | 110 Ų | 110 | 110.3 Ų | 110.3 | 59% | 0.588 | 60% | 0.598 | S | S | * | * | trans | -78.1 | 50.9 | 175.7 | -85.9 | 26.7 | 0 | 0 | 0 | 112.6 | K127 | D122-K127 WeakPolarHBondContact OD1-CE 2.62Å; D122-K127 IonicContact OD1-NZ 2.75Å; D122-K127 PolarHBondContact OD1-NZ 3.38Å; D122-K127 IonicContact OD2-NZ 2.72Å; D122-K127 PolarHBondContact OD2-NZ 3.23Å | ||
| 123 | V | 37.1 | Very low | 46 | Very low | 110 Ų | 110 | 105.4 Ų | 105.4 | 67% | 0.667 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -141.4 | 130.7 | 175.4 | -163.4 | 0 | 0 | 0 | 0 | 108.9 | L121 | L121-V123 PolarHBondContact O-N 3.14Š|
| 124 | F | 35.7 | Very low | 46.7 | Very low | 130 Ų | 130 | 105 Ų | 105 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 55.6 | 53.3 | -171.4 | -71.7 | -83.9 | 0 | 0 | 0 | 114.5 | H370 K372 | F124-H370 WeakPolarHBondContact O-CB 3.26Å; F124-H370 PolarHBondContact O-CD2 3.06Å; F124-K372 HydrophobicContact CD1-CG 4.41Å; F124-K372 HydrophobicContact CE1-CD 3.59Å; F124-K372 VanDerWaalsContact CE1-CE 3.47Å; F124-K372 HydrophobicContact CE1-CG 3.85Å; F124-K372 HydrophobicContact CZ-CD 3.91Å |
| 125 | I | 43.5 | Very low | 48 | Very low | 64 Ų | 64 | 101 Ų | 101 | 33% | 0.328 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -158.5 | 109.7 | 130.6 | -77.1 | 150.3 | 0 | 0 | 0 | 120.9 | K127 H370 | I125-K127 PolarHBondContact O-N 3.12Å; I125-H370 WeakPolarHBondContact CA-CD2 3.34Å; I125-H370 WeakPolarHBondContact CA-CE1 3.32Å; I125-H370 WeakPolarHBondContact CA-ND1 3.5Å; I125-H370 WeakPolarHBondContact CA-NE2 3.42Å; I125-H370 HydrophobicContact CB-CB 4.19Å; I125-H370 WeakPolarHBondContact CB-CD2 3.49Å; I125-H370 WeakPolarHBondContact CB-NE2 3.4Å; I125-H370 HydrophobicContact CG1-CB 3.69Å; I125-H370 WeakPolarHBondContact CG1-CD2 3.42Å; I125-H370 VanDerWaalsContact N-CB 3.32Å; I125-H370 PolarHBondContact N-CD2 2.88Å; I125-H370 PolarHBondContact N-CE1 3.04Å; I125-H370 PolarHBondContact N-ND1 2.89Å; I125-H370 PolarHBondContact N-NE2 2.94Å; I125-H370 PolarHBondContact O-CE1 2.89Å; I125-H370 PolarHBondContact O-NE2 3.11Å |
| 126 | Q | 37 | Very low | 50.1 | Low | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | trans | -64 | 97.1 | -172.2 | -74.9 | -179 | -41 | 0 | 0 | 110 | P128 H370 I371 | Q126-P128 VanDerWaalsContact O-CD 3.26Å; Q126-P128 WeakPolarHBondContact O-CD 3.31Å; Q126-P128 VanDerWaalsContact O-N 3.1Å; Q126-H370 PolarHBondContact N-CE1 2.87Å; Q126-H370 VanDerWaalsContact N-CE1 3.34Å; Q126-H370 PolarHBondContact N-ND1 3.44Å; Q126-I371 HydrophobicContact CB-CD1 4.1Å; Q126-I371 HydrophobicContact CG-CB 4.22Å; Q126-I371 HydrophobicContact CG-CD1 4.32Å | ||
| 127 | K | 38.6 | Very low | 51.9 | Low | 136 Ų | 136 | 103.1 Ų | 103.1 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | trans | -60.1 | 114.4 | -169.2 | -72.2 | -177.6 | 178.5 | 173.6 | 0 | 108.9 | D122 I125 S129 | D122-K127 WeakPolarHBondContact OD1-CE 2.62Å; D122-K127 IonicContact OD1-NZ 2.75Å; D122-K127 PolarHBondContact OD1-NZ 3.38Å; D122-K127 IonicContact OD2-NZ 2.72Å; D122-K127 PolarHBondContact OD2-NZ 3.23Å; I125-K127 PolarHBondContact O-N 3.12Å; K127-S129 PolarHBondContact O-N 3.31Å | ||
| 128 | P | 40.3 | Very low | 54.1 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 66% | 0.662 | 49% | 0.487 | S | S | * | . | trans | -60.7 | 137.6 | 167.3 | 27.5 | -33 | 0 | 0 | 0 | 107.6 | Q126 G130 | Q126-P128 VanDerWaalsContact O-CD 3.26Å; Q126-P128 WeakPolarHBondContact O-CD 3.31Å; Q126-P128 VanDerWaalsContact O-N 3.1Å; P128-G130 PolarHBondContact O-N 2.87Å | ||
| 129 | S | 37.9 | Very low | 56.6 | Low | 91 Ų | 91 | 94 Ų | 94 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -70.3 | 100 | -175.7 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | K127 E420 | K127-S129 PolarHBondContact O-N 3.31Å; S129-E420 WeakPolarHBondContact CB-OE1 3.33Å; S129-E420 PolarHBondContact OG-OE1 3.01Å |
| 130 | G | 53.6 | Low | 58.9 | Low | 56 Ų | 56 | 86.4 Ų | 86.4 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 160.1 | 132.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P128 V132 | P128-G130 PolarHBondContact O-N 2.87Å; G130-V132 VanDerWaalsContact C-N 3.34Å; G130-V132 PolarHBondContact O-N 3.44Å |
| 131 | Y | 60.6 | Low | 61 | Low | 182 Ų | 182 | 79.8 Ų | 79.8 | 71% | 0.714 | 42% | 0.422 | S | S | * | . | trans | -73.1 | 91.3 | 167 | -177 | -89.3 | 0 | 0 | 0 | 108.7 | E86 S133 | E86-Y131 PolarHBondContact OE2-OH 2.81Å; Y131-S133 PolarHBondContact O-N 2.99Å | ||
| 132 | V | 66.3 | Low | 63.4 | Low | 35 Ų | 35 | 73.9 Ų | 73.9 | 21% | 0.212 | 39% | 0.391 | C | S | . | . | trans | -78.2 | 112.3 | 168.6 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | N58 G130 R137 | N58-V132 WeakPolarHBondContact OD1-CG1 3.15Å; G130-V132 VanDerWaalsContact C-N 3.34Å; G130-V132 PolarHBondContact O-N 3.44Å; V132-R137 HydrophobicContact CG1-CG 4.47Å | ||
| 133 | S | 77.8 | Confident | 66 | Low | 11 Ų | 11 | 68.9 Ų | 68.9 | 8% | 0.077 | 37% | 0.365 | C | S | . | . | trans | -56.8 | 140.3 | 176.3 | 129.5 | 0 | 0 | 0 | 0 | 110.5 | E86 Y131 Y135 Y136 | E86-S133 VanDerWaalsContact OE1-CB 3.25Å; E86-S133 WeakPolarHBondContact OE1-CB 3.14Å; E86-S133 PolarHBondContact OE1-OG 3.45Å; Y131-S133 PolarHBondContact O-N 2.99Å; S133-Y135 PolarHBondContact O-N 3.1Å; S133-Y136 PolarHBondContact O-N 3.24Å; S133-Y136 WeakPolarHBondContact OG-CD2 3.41Å | ||
| 134 | S | 83 | Confident | 68.6 | Low | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -64.7 | -30.7 | -173.2 | -45.7 | 0 | 0 | 0 | 0 | 112 | E86 S113 Y136 R137 | E86-S134 VanDerWaalsContact CD-N 3.29Å; E86-S134 PolarHBondContact OE1-N 3.07Å; E86-S134 WeakPolarHBondContact OE2-CB 3.45Å; E86-S134 PolarHBondContact OE2-N 3.37Å; E86-S134 PolarHBondContact OE2-OG 3.37Å; E86-S134 VanDerWaalsContact OE2-OG 3.12Å; S113-S134 WeakPolarHBondContact CB-OG 2.27Å; S134-Y136 VanDerWaalsContact C-N 3.29Å; S134-Y136 PolarHBondContact O-N 3.46Å; S134-R137 WeakPolarHBondContact O-CB 3.34Å; S134-R137 PolarHBondContact O-N 2.84Å |
| 135 | Y | 86 | Confident | 71.2 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -56.1 | -39.7 | 171.3 | -176.1 | -100 | 0 | 0 | 0 | 112.8 | H69 W85 E86 L89 L110 S133 R137 L138 R143 | H69-Y135 AromaticContact CE1-CE1 3.96Å; H69-Y135 AromaticContact CE1-CZ 3.78Å; H69-Y135 AromaticContact NE2-CE2 3.87Å; H69-Y135 AromaticContact NE2-CZ 3.61Å; H69-Y135 PolarHBondContact NE2-OH 2.89Å; W85-Y135 HydrophobicContact CH2-CD1 4.2Å; W85-Y135 HydrophobicContact CH2-CD2 4.29Å; W85-Y135 AromaticContact CH2-CG 3.84Å; W85-Y135 HydrophobicContact CH2-CG 3.84Å; W85-Y135 HydrophobicContact CZ3-CD2 4.34Å; W85-Y135 HydrophobicContact CZ3-CG 4.34Å; E86-Y135 WeakPolarHBondContact OE1-CB 3.32Å; E86-Y135 PolarHBondContact OE1-N 3.25Å; L89-Y135 HydrophobicContact CD2-CD2 3.89Å; L89-Y135 HydrophobicContact CD2-CE2 4Å; L110-Y135 HydrophobicContact CD2-CD2 4.44Å; S133-Y135 PolarHBondContact O-N 3.1Å; Y135-R137 PolarHBondContact O-N 3.44Å; Y135-L138 HydrophobicContact CD2-CD1 4.01Å; Y135-L138 HydrophobicContact CE2-CD1 4.44Å; Y135-L138 WeakPolarHBondContact O-CB 3.45Å; Y135-L138 WeakPolarHBondContact O-CG 3.48Å; Y135-L138 PolarHBondContact O-N 3.47Å; Y135-L138 VanDerWaalsContact O-N 3.12Å; Y135-R143 HydrophobicContact CE1-CB 4.48Å; Y135-R143 HydrophobicContact CE1-CG 4.19Å; Y135-R143 HydrophobicContact CE2-CG 4.44Å |
| 136 | Y | 83.9 | Confident | 73.5 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 9% | 0.09 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -76.3 | 0.6 | 177 | -66.9 | -73.1 | 0 | 0 | 0 | 114 | L56 T62 S133 S134 R143 | L56-Y136 WeakPolarHBondContact O-CD1 3.47Å; T62-Y136 HydrophobicContact CG2-CE2 3.81Å; S133-Y136 PolarHBondContact O-N 3.24Å; S133-Y136 WeakPolarHBondContact OG-CD2 3.41Å; S134-Y136 VanDerWaalsContact C-N 3.29Å; S134-Y136 PolarHBondContact O-N 3.46Å; Y136-R143 PolarHBondContact O-NH2 2.82Å |
| 137 | R | 81.9 | Confident | 76.1 | Confident | 181 Ų | 181 | 51.4 Ų | 51.4 | 68% | 0.683 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -91.1 | -13.6 | 166.8 | -54.4 | -175.8 | -177.8 | -159.3 | -0.2 | 113.2 | V132 S134 Y135 | V132-R137 HydrophobicContact CG1-CG 4.47Å; S134-R137 WeakPolarHBondContact O-CB 3.34Å; S134-R137 PolarHBondContact O-N 2.84Å; Y135-R137 PolarHBondContact O-N 3.44Å |
| 138 | L | 84.8 | Confident | 78.7 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -70.5 | 147.2 | 173.5 | -54.7 | 179.5 | 0 | 0 | 0 | 109.9 | A106 L109 L110 Y135 V142 R143 | A106-L138 HydrophobicContact CB-CD1 4.11Å; A106-L138 HydrophobicContact CB-CD2 3.69Å; L109-L138 HydrophobicContact CB-CD2 4.38Å; L109-L138 HydrophobicContact CD1-CD2 4.03Å; L110-L138 HydrophobicContact CD1-CD1 4.1Å; L110-L138 HydrophobicContact CG-CD1 4.33Å; Y135-L138 HydrophobicContact CD2-CD1 4.01Å; Y135-L138 HydrophobicContact CE2-CD1 4.44Å; Y135-L138 WeakPolarHBondContact O-CB 3.45Å; Y135-L138 WeakPolarHBondContact O-CG 3.48Å; Y135-L138 PolarHBondContact O-N 3.47Å; Y135-L138 VanDerWaalsContact O-N 3.12Å; L138-V142 HydrophobicContact CB-CG1 4.41Å; L138-V142 HydrophobicContact CD1-CG1 4.43Å; L138-R143 HydrophobicContact CB-CG 4.1Å; L138-R143 VanDerWaalsContact O-CZ 3.29Å; L138-R143 PolarHBondContact O-NE 2.91Å; L138-R143 PolarHBondContact O-NH2 2.96Å |
| 139 | S | 86.5 | Confident | 81.2 | Confident | 65 Ų | 65 | 41 Ų | 41 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | trans | -62.2 | 145.8 | 172.1 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | N141 V142 R143 | S139-N141 VanDerWaalsContact C-N 3.31Å; S139-N141 PolarHBondContact O-N 3.05Å; S139-V142 PolarHBondContact O-N 3.39Å; S139-V142 VanDerWaalsContact O-N 3.11Å; S139-V142 VanDerWaalsContact OG-CG2 3.28Å; S139-V142 WeakPolarHBondContact OG-CG2 3.27Å; S139-R143 PolarHBondContact O-N 3.15Å; S139-R143 VanDerWaalsContact O-N 3.14Å | ||
| 140 | P | 86.8 | Confident | 83.8 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 25% | 0.247 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -52.8 | -43.9 | -177 | -29.3 | 37.4 | 0 | 0 | 0 | 113.7 | L21 V142 R143 V144 | L21-P140 HydrophobicContact CD1-CB 4.05Å; L21-P140 HydrophobicContact CD2-CB 3.43Å; L21-P140 VanDerWaalsContact CD2-CB 3.43Å; L21-P140 HydrophobicContact CG-CB 3.95Å; P140-V142 VanDerWaalsContact C-N 3.3Å; P140-V142 PolarHBondContact O-N 2.89Å; P140-R143 WeakPolarHBondContact O-CA 3.46Å; P140-R143 VanDerWaalsContact O-CB 3.27Å; P140-R143 WeakPolarHBondContact O-CB 3.42Å; P140-R143 PolarHBondContact O-N 2.88Å; P140-V144 PolarHBondContact O-N 3.16Å |
| 141 | N | 86.8 | Confident | 85.7 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.4 | -37.5 | -178.7 | -48.2 | 24.3 | 0 | 0 | 0 | 111.4 | L24 S139 R143 V144 K145 | L24-N141 HydrophobicContact CD1-CB 3.89Å; S139-N141 VanDerWaalsContact C-N 3.31Å; S139-N141 PolarHBondContact O-N 3.05Å; N141-R143 VanDerWaalsContact C-N 3.34Å; N141-V144 WeakPolarHBondContact O-CB 3.49Å; N141-V144 PolarHBondContact O-N 3.14Å; N141-K145 PolarHBondContact O-N 3.42Å; N141-K145 VanDerWaalsContact O-N 3.16Å |
| 142 | V | 89 | Confident | 87.2 | Confident | 21 Ų | 21 | 28.7 Ų | 28.7 | 13% | 0.127 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.7 | -34.8 | 173.4 | 169.2 | 0 | 0 | 0 | 0 | 111 | A106 L138 S139 P140 K145 T146 | A106-V142 HydrophobicContact CB-CG1 3.65Å; L138-V142 HydrophobicContact CB-CG1 4.41Å; L138-V142 HydrophobicContact CD1-CG1 4.43Å; S139-V142 PolarHBondContact O-N 3.39Å; S139-V142 VanDerWaalsContact O-N 3.11Å; S139-V142 VanDerWaalsContact OG-CG2 3.28Å; S139-V142 WeakPolarHBondContact OG-CG2 3.27Å; P140-V142 VanDerWaalsContact C-N 3.3Å; P140-V142 PolarHBondContact O-N 2.89Å; V142-K145 PolarHBondContact O-N 2.89Å; V142-T146 HydrophobicContact CG1-CG2 4.13Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.38Å; V142-T146 PolarHBondContact O-N 3.1Å; V142-T146 PolarHBondContact O-OG1 3.07Å |
| 143 | R | 89.8 | Confident | 88.5 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.1 | -59.5 | 173.7 | -157.5 | 179.4 | -3.9 | 111.5 | L54 L56 Y135 Y136 L138 S139 P140 N141 K145 T146 L147 | L54-R143 HydrophobicContact CD2-CB 3.92Å; L54-R143 WeakPolarHBondContact O-CD 3.27Å; L54-R143 PolarHBondContact O-NH1 3.1Å; L56-R143 PolarHBondContact O-NH1 3.13Å; Y135-R143 HydrophobicContact CE1-CB 4.48Å; Y135-R143 HydrophobicContact CE1-CG 4.19Å; Y135-R143 HydrophobicContact CE2-CG 4.44Å; Y136-R143 PolarHBondContact O-NH2 2.82Å; L138-R143 HydrophobicContact CB-CG 4.1Å; L138-R143 VanDerWaalsContact O-CZ 3.29Å; L138-R143 PolarHBondContact O-NE 2.91Å; L138-R143 PolarHBondContact O-NH2 2.96Å; S139-R143 PolarHBondContact O-N 3.15Å; S139-R143 VanDerWaalsContact O-N 3.14Å; P140-R143 WeakPolarHBondContact O-CA 3.46Å; P140-R143 VanDerWaalsContact O-CB 3.27Å; P140-R143 WeakPolarHBondContact O-CB 3.42Å; P140-R143 PolarHBondContact O-N 2.88Å; N141-R143 VanDerWaalsContact C-N 3.34Å; R143-K145 PolarHBondContact O-N 2.85Å; R143-T146 WeakPolarHBondContact CA-OG1 3.44Å; R143-T146 PolarHBondContact O-N 3.48Å; R143-T146 PolarHBondContact O-OG1 3.12Å; R143-L147 WeakPolarHBondContact O-CB 3.43Å; R143-L147 PolarHBondContact O-N 2.92Å |
| 144 | V | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -50.6 | -57.7 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | L21 D26 F27 L30 L54 P140 N141 T146 L147 L148 | L21-V144 HydrophobicContact CD1-CG2 4.4Å; L21-V144 HydrophobicContact CD2-CG2 3.68Å; D26-V144 HydrophobicContact CB-CG1 3.49Å; D26-V144 VanDerWaalsContact CB-CG1 3.49Å; F27-V144 HydrophobicContact CB-CG1 4.14Å; F27-V144 HydrophobicContact CD2-CG2 4.47Å; L30-V144 HydrophobicContact CD1-CB 4.41Å; L30-V144 HydrophobicContact CD1-CG1 3.73Å; L30-V144 HydrophobicContact CG-CG1 4.38Å; L54-V144 HydrophobicContact CD1-CG2 4.08Å; P140-V144 PolarHBondContact O-N 3.16Å; N141-V144 WeakPolarHBondContact O-CB 3.49Å; N141-V144 PolarHBondContact O-N 3.14Å; V144-T146 PolarHBondContact O-N 3.12Å; V144-L147 PolarHBondContact O-N 3.39Å; V144-L147 VanDerWaalsContact O-N 3.13Å; V144-L148 PolarHBondContact O-N 3.33Å |
| 145 | K | 90.7 | Very high | 89.6 | Confident | 42 Ų | 42 | 29 Ų | 29 | 18% | 0.183 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.6 | -41.9 | 178.6 | -72 | -178 | 168.5 | -163 | 0 | 113.7 | D26 I100 I103 N141 V142 R143 L147 L148 C149 | D26-K145 HydrophobicContact CB-CG 4.46Å; D26-K145 WeakPolarHBondContact OD2-CE 3.39Å; D26-K145 VanDerWaalsContact OD2-CG 3.26Å; D26-K145 WeakPolarHBondContact OD2-CG 3.44Å; I100-K145 HydrophobicContact CG2-CB 4.05Å; I100-K145 HydrophobicContact CG2-CD 3.68Å; I100-K145 HydrophobicContact CG2-CG 4.21Å; I103-K145 HydrophobicContact CD1-CB 4.36Å; N141-K145 PolarHBondContact O-N 3.42Å; N141-K145 VanDerWaalsContact O-N 3.16Å; V142-K145 PolarHBondContact O-N 2.89Å; R143-K145 PolarHBondContact O-N 2.85Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 3.05Å; K145-L148 PolarHBondContact O-N 3.01Å; K145-C149 WeakPolarHBondContact O-CB 3.47Å; K145-C149 PolarHBondContact O-N 2.9Å; K145-C149 VanDerWaalsContact O-N 3.1Å |
| 146 | T | 91.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.9 | -29.8 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | L93 I103 V142 R143 V144 L150 | L93-T146 HydrophobicContact CD1-CG2 3.63Å; L93-T146 HydrophobicContact CD2-CG2 3.84Å; L93-T146 HydrophobicContact CG-CG2 4.4Å; I103-T146 HydrophobicContact CD1-CG2 3.96Å; I103-T146 HydrophobicContact CG1-CG2 4.33Å; V142-T146 HydrophobicContact CG1-CG2 4.13Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.38Å; V142-T146 PolarHBondContact O-N 3.1Å; V142-T146 PolarHBondContact O-OG1 3.07Å; R143-T146 WeakPolarHBondContact CA-OG1 3.44Å; R143-T146 PolarHBondContact O-N 3.48Å; R143-T146 PolarHBondContact O-OG1 3.12Å; V144-T146 PolarHBondContact O-N 3.12Å; T146-L150 WeakPolarHBondContact O-CB 3.29Å; T146-L150 PolarHBondContact O-N 2.75Å |
| 147 | L | 91.9 | Very high | 90 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -77.1 | -40.2 | 175.1 | -179.1 | 59.2 | 0 | 0 | 0 | 111 | L30 L50 L54 W65 L68 L72 R143 V144 K145 L150 L151 | L30-L147 HydrophobicContact CD1-CB 4.49Å; L30-L147 HydrophobicContact CD1-CD2 4.12Å; L30-L147 HydrophobicContact CD1-CG 4.47Å; L30-L147 HydrophobicContact CD2-CB 4.36Å; L30-L147 HydrophobicContact CD2-CD2 4.29Å; L30-L147 HydrophobicContact CD2-CG 3.98Å; L50-L147 HydrophobicContact CD1-CD2 4.02Å; L54-L147 HydrophobicContact CD1-CD2 4.49Å; L54-L147 HydrophobicContact CD2-CD2 4.24Å; W65-L147 HydrophobicContact CZ3-CD2 4.01Å; L68-L147 HydrophobicContact CD2-CD1 4.02Å; L72-L147 HydrophobicContact CD1-CD1 4.17Å; R143-L147 WeakPolarHBondContact O-CB 3.43Å; R143-L147 PolarHBondContact O-N 2.92Å; V144-L147 PolarHBondContact O-N 3.39Å; V144-L147 VanDerWaalsContact O-N 3.13Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 3.05Å; L147-L150 WeakPolarHBondContact O-CB 3.19Å; L147-L150 PolarHBondContact O-N 2.84Å; L147-L150 VanDerWaalsContact O-N 3.14Å; L147-L151 HydrophobicContact CD1-CD1 4.43Å; L147-L151 HydrophobicContact CD1-CG 4.45Å; L147-L151 HydrophobicContact CG-CD1 4.26Å; L147-L151 WeakPolarHBondContact O-CG 3.32Å; L147-L151 PolarHBondContact O-N 3Å; L147-L151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 92.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -52.2 | 177.8 | -176 | 59.6 | 0 | 0 | 0 | 110.6 | D26 A29 L30 V144 K145 L150 L151 E152 | D26-L148 HydrophobicContact CB-CD2 4.21Å; A29-L148 HydrophobicContact CB-CD1 4.11Å; A29-L148 HydrophobicContact CB-CD2 4.23Å; L30-L148 HydrophobicContact CD2-CB 3.87Å; L30-L148 HydrophobicContact CD2-CD1 3.98Å; L30-L148 HydrophobicContact CG-CB 4.27Å; L30-L148 HydrophobicContact CG-CD1 4.34Å; V144-L148 PolarHBondContact O-N 3.33Å; K145-L148 PolarHBondContact O-N 3.01Å; L148-L150 PolarHBondContact O-N 3.25Å; L148-L150 VanDerWaalsContact O-N 3.15Å; L148-L151 WeakPolarHBondContact O-CA 3.15Å; L148-L151 WeakPolarHBondContact O-CB 3.37Å; L148-L151 PolarHBondContact O-N 2.82Å; L148-E152 HydrophobicContact CD1-CG 4.28Å; L148-E152 HydrophobicContact CG-CG 4.34Å; L148-E152 WeakPolarHBondContact CG-OE1 3.28Å; L148-E152 WeakPolarHBondContact O-CG 3.37Å; L148-E152 PolarHBondContact O-N 3.09Å |
| 149 | C | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.2 | -36.5 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 113.4 | I100 K145 L151 E152 T153 | I100-C149 HydrophobicContact CD1-CB 3.99Å; K145-C149 WeakPolarHBondContact O-CB 3.47Å; K145-C149 PolarHBondContact O-N 2.9Å; K145-C149 VanDerWaalsContact O-N 3.1Å; C149-L151 VanDerWaalsContact C-N 3.29Å; C149-L151 PolarHBondContact O-N 2.9Å; C149-E152 VanDerWaalsContact CA-OE2 3.27Å; C149-E152 WeakPolarHBondContact CA-OE2 2.8Å; C149-T153 WeakPolarHBondContact O-CB 3.26Å; C149-T153 VanDerWaalsContact O-CG2 3.25Å; C149-T153 WeakPolarHBondContact O-CG2 3.46Å; C149-T153 PolarHBondContact O-N 2.91Å; C149-T153 PolarHBondContact O-OG1 2.92Å |
| 150 | L | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.1 | -17.9 | 178.1 | -172.5 | 64.9 | 0 | 0 | 0 | 113.6 | L72 L73 L76 L89 F92 T146 L147 L148 Q154 | L72-L150 HydrophobicContact CB-CD1 4.31Å; L72-L150 HydrophobicContact CB-CD2 3.89Å; L72-L150 HydrophobicContact CB-CG 3.88Å; L72-L150 HydrophobicContact CD1-CD2 3.83Å; L72-L150 HydrophobicContact CD1-CG 3.97Å; L73-L150 HydrophobicContact CD2-CD1 3.66Å; L73-L150 HydrophobicContact CG-CD1 4.04Å; L76-L150 HydrophobicContact CD1-CD1 3.6Å; L89-L150 HydrophobicContact CD1-CD1 4.47Å; L89-L150 HydrophobicContact CD1-CD2 4.16Å; F92-L150 HydrophobicContact CD1-CD1 4.03Å; F92-L150 HydrophobicContact CD2-CD1 4.34Å; F92-L150 HydrophobicContact CE1-CB 4.09Å; F92-L150 HydrophobicContact CE1-CD1 3.82Å; F92-L150 HydrophobicContact CE2-CD1 4.15Å; F92-L150 HydrophobicContact CG-CD1 4.31Å; F92-L150 HydrophobicContact CZ-CB 4.34Å; F92-L150 HydrophobicContact CZ-CD1 3.9Å; T146-L150 WeakPolarHBondContact O-CB 3.29Å; T146-L150 PolarHBondContact O-N 2.75Å; L147-L150 WeakPolarHBondContact O-CB 3.19Å; L147-L150 PolarHBondContact O-N 2.84Å; L147-L150 VanDerWaalsContact O-N 3.14Å; L148-L150 PolarHBondContact O-N 3.25Å; L148-L150 VanDerWaalsContact O-N 3.15Å; L150-Q154 PolarHBondContact O-NE2 3.34Å |
| 151 | L | 93.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -94.9 | -44.7 | 175.8 | -68.4 | 175.7 | 0 | 0 | 0 | 112 | L30 F33 L41 I43 L72 L147 L148 C149 T153 Q154 | L30-L151 HydrophobicContact CD2-CD1 3.66Å; F33-L151 HydrophobicContact CD1-CB 4.08Å; F33-L151 HydrophobicContact CD1-CD1 3.84Å; F33-L151 HydrophobicContact CD1-CD2 4.35Å; F33-L151 HydrophobicContact CD1-CG 4.31Å; F33-L151 HydrophobicContact CD2-CB 4.33Å; F33-L151 HydrophobicContact CE1-CB 3.82Å; F33-L151 HydrophobicContact CE1-CD1 4.1Å; F33-L151 HydrophobicContact CE1-CD2 3.77Å; F33-L151 HydrophobicContact CE1-CG 4.1Å; F33-L151 HydrophobicContact CE2-CB 4.02Å; F33-L151 HydrophobicContact CG-CB 4.37Å; F33-L151 HydrophobicContact CG-CD1 4.47Å; F33-L151 HydrophobicContact CZ-CB 3.78Å; F33-L151 HydrophobicContact CZ-CD2 4.28Å; L41-L151 HydrophobicContact CD1-CD2 3.93Å; I43-L151 HydrophobicContact CD1-CD2 4.13Å; L72-L151 HydrophobicContact CD1-CD2 3.66Å; L72-L151 HydrophobicContact CD1-CG 4.42Å; L72-L151 HydrophobicContact CD2-CD2 3.79Å; L72-L151 HydrophobicContact CG-CD2 4.41Å; L147-L151 HydrophobicContact CD1-CD1 4.43Å; L147-L151 HydrophobicContact CD1-CG 4.45Å; L147-L151 HydrophobicContact CG-CD1 4.26Å; L147-L151 WeakPolarHBondContact O-CG 3.32Å; L147-L151 PolarHBondContact O-N 3Å; L147-L151 VanDerWaalsContact O-N 3.1Å; L148-L151 WeakPolarHBondContact O-CA 3.15Å; L148-L151 WeakPolarHBondContact O-CB 3.37Å; L148-L151 PolarHBondContact O-N 2.82Å; C149-L151 VanDerWaalsContact C-N 3.29Å; C149-L151 PolarHBondContact O-N 2.9Å; L151-T153 PolarHBondContact O-N 2.98Å; L151-Q154 WeakPolarHBondContact O-CB 3.5Å; L151-Q154 WeakPolarHBondContact O-CG 3.43Å; L151-Q154 PolarHBondContact O-N 3.04Å |
| 152 | E | 91.9 | Very high | 91.2 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 32% | 0.318 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -55.5 | -49.2 | 174.6 | -66.8 | 164 | 153.6 | 0 | 0 | 111.3 | L148 C149 Q154 F155 | L148-E152 HydrophobicContact CD1-CG 4.28Å; L148-E152 HydrophobicContact CG-CG 4.34Å; L148-E152 WeakPolarHBondContact CG-OE1 3.28Å; L148-E152 WeakPolarHBondContact O-CG 3.37Å; L148-E152 PolarHBondContact O-N 3.09Å; C149-E152 VanDerWaalsContact CA-OE2 3.27Å; C149-E152 WeakPolarHBondContact CA-OE2 2.8Å; E152-Q154 PolarHBondContact O-N 3.48Å; E152-F155 WeakPolarHBondContact O-CB 3.48Å; E152-F155 WeakPolarHBondContact O-CD2 3.44Å; E152-F155 PolarHBondContact O-N 3.25Å |
| 153 | T | 92.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -8.4 | 179.3 | 54 | 0 | 0 | 0 | 0 | 114.5 | L76 F92 H96 C149 L151 F155 D156 R157 | L76-T153 VanDerWaalsContact CD2-O 3.27Å; L76-T153 WeakPolarHBondContact CD2-O 3.46Å; F92-T153 HydrophobicContact CE2-CG2 4.11Å; F92-T153 WeakPolarHBondContact CE2-OG1 3.5Å; F92-T153 HydrophobicContact CZ-CG2 3.96Å; F92-T153 VanDerWaalsContact CZ-OG1 3.3Å; F92-T153 WeakPolarHBondContact CZ-OG1 3.27Å; H96-T153 HydrophobicContact CB-CG2 4.21Å; C149-T153 WeakPolarHBondContact O-CB 3.26Å; C149-T153 VanDerWaalsContact O-CG2 3.25Å; C149-T153 WeakPolarHBondContact O-CG2 3.46Å; C149-T153 PolarHBondContact O-N 2.91Å; C149-T153 PolarHBondContact O-OG1 2.92Å; L151-T153 PolarHBondContact O-N 2.98Å; T153-F155 VanDerWaalsContact C-N 3.34Å; T153-D156 PolarHBondContact O-N 3.14Å; T153-R157 PolarHBondContact O-N 2.89Å; T153-R157 VanDerWaalsContact O-N 3.14Å |
| 154 | Q | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 167.9 | -54.9 | -66.5 | -42.1 | 0 | 0 | 110.9 | L41 L72 L76 L150 L151 E152 D156 N158 F161 | L41-Q154 HydrophobicContact CD1-CG 4.05Å; L41-Q154 HydrophobicContact CD2-CB 4.44Å; L41-Q154 HydrophobicContact CD2-CG 4.32Å; L72-Q154 HydrophobicContact CD2-CG 4.38Å; L76-Q154 VanDerWaalsContact CG-NE2 3.33Å; L150-Q154 PolarHBondContact O-NE2 3.34Å; L151-Q154 WeakPolarHBondContact O-CB 3.5Å; L151-Q154 WeakPolarHBondContact O-CG 3.43Å; L151-Q154 PolarHBondContact O-N 3.04Å; E152-Q154 PolarHBondContact O-N 3.48Å; Q154-D156 PolarHBondContact O-N 2.87Å; Q154-N158 HydrophobicContact CB-CB 4.31Å; Q154-N158 VanDerWaalsContact O-CB 3.3Å; Q154-N158 WeakPolarHBondContact O-CB 3.47Å; Q154-N158 PolarHBondContact O-N 3.07Å; Q154-N158 VanDerWaalsContact O-N 3.08Å; Q154-N158 PolarHBondContact OE1-ND2 3.11Å; Q154-N158 VanDerWaalsContact OE1-ND2 3.07Å; Q154-F161 HydrophobicContact CB-CD1 3.65Å; Q154-F161 HydrophobicContact CB-CE1 3.74Å |
| 155 | F | 90.5 | Very high | 91.1 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 26% | 0.259 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.4 | -29.3 | 178.9 | -69 | -63.9 | 0 | 0 | 0 | 112.3 | F33 F37 E152 T153 F161 K162 A165 | F33-F155 HydrophobicContact CD2-CE2 4.08Å; F33-F155 HydrophobicContact CD2-CZ 4.36Å; F33-F155 HydrophobicContact CE2-CD2 4.37Å; F33-F155 AromaticContact CE2-CE2 3.54Å; F33-F155 HydrophobicContact CE2-CE2 3.54Å; F33-F155 AromaticContact CE2-CZ 3.81Å; F33-F155 HydrophobicContact CE2-CZ 3.81Å; F37-F155 HydrophobicContact CD1-CE1 4.21Å; F37-F155 HydrophobicContact CD1-CZ 4.32Å; F37-F155 AromaticContact CD2-CZ 3.93Å; F37-F155 HydrophobicContact CD2-CZ 3.93Å; F37-F155 AromaticContact CE1-CE1 3.87Å; F37-F155 HydrophobicContact CE1-CE1 3.87Å; F37-F155 HydrophobicContact CE1-CZ 4.08Å; F37-F155 HydrophobicContact CE2-CE1 4.3Å; F37-F155 AromaticContact CE2-CZ 3.68Å; F37-F155 HydrophobicContact CE2-CZ 3.68Å; F37-F155 HydrophobicContact CG-CZ 4.24Å; F37-F155 AromaticContact CZ-CE1 3.91Å; F37-F155 HydrophobicContact CZ-CE1 3.91Å; F37-F155 AromaticContact CZ-CZ 3.74Å; F37-F155 HydrophobicContact CZ-CZ 3.74Å; E152-F155 WeakPolarHBondContact O-CB 3.48Å; E152-F155 WeakPolarHBondContact O-CD2 3.44Å; E152-F155 PolarHBondContact O-N 3.25Å; T153-F155 VanDerWaalsContact C-N 3.34Å; F155-F161 HydrophobicContact CD1-CD1 4.25Å; F155-F161 AromaticContact CD1-CE1 3.47Å; F155-F161 HydrophobicContact CD1-CE1 3.47Å; F155-F161 VanDerWaalsContact CD1-CE1 3.47Å; F155-F161 HydrophobicContact CD1-CZ 4.13Å; F155-F161 AromaticContact CE1-CE1 3.53Å; F155-F161 HydrophobicContact CE1-CE1 3.53Å; F155-F161 AromaticContact CE1-CZ 3.69Å; F155-F161 HydrophobicContact CE1-CZ 3.69Å; F155-F161 HydrophobicContact CG-CE1 4.03Å; F155-F161 HydrophobicContact CZ-CE1 4.16Å; F155-F161 HydrophobicContact CZ-CZ 4.15Å; F155-K162 WeakPolarHBondContact O-CB 3.33Å; F155-K162 WeakPolarHBondContact O-CD 3.43Å; F155-K162 WeakPolarHBondContact O-CE 2.88Å; F155-K162 WeakPolarHBondContact O-CG 3.32Å; F155-K162 PolarHBondContact O-NZ 2.94Å; F155-A165 HydrophobicContact CD1-CB 4.23Å; F155-A165 HydrophobicContact CE1-CB 3.97Å |
| 156 | D | 89.5 | Confident | 90.9 | Very high | 113 Ų | 113 | 45.1 Ų | 45.1 | 60% | 0.604 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -93.8 | -41 | 179.9 | -73.6 | -32.7 | 0 | 0 | 0 | 115 | T153 Q154 K162 | T153-D156 PolarHBondContact O-N 3.14Å; Q154-D156 PolarHBondContact O-N 2.87Å; D156-K162 IonicContact OD1-NZ 2.93Å; D156-K162 PolarHBondContact OD1-NZ 2.91Å; D156-K162 VanDerWaalsContact OD1-NZ 3.09Å |
| 157 | R | 90.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 42% | 0.415 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -106.7 | -18 | -167.6 | -68.9 | -170.8 | 170.1 | -170.9 | 9.1 | 114.8 | L76 K77 Y78 H96 T153 Q159 | L76-R157 HydrophobicContact CD2-CB 3.79Å; K77-R157 PolarHBondContact NZ-O 2.97Å; Y78-R157 PolarHBondContact OH-NH1 3.16Å; H96-R157 PolarHBondContact CE1-NE 3.38Å; H96-R157 PolarHBondContact CE1-NH2 3.43Å; H96-R157 VanDerWaalsContact CE1-NH2 3.31Å; H96-R157 VanDerWaalsContact NE2-CZ 3.28Å; H96-R157 PolarHBondContact NE2-NH1 3.48Å; H96-R157 VanDerWaalsContact NE2-NH1 3.2Å; T153-R157 PolarHBondContact O-N 2.89Å; T153-R157 VanDerWaalsContact O-N 3.14Å; R157-Q159 PolarHBondContact O-N 3.43Å |
| 158 | N | 91 | Very high | 90.5 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 9% | 0.086 | 27% | 0.273 | C | S | . | . | trans | -98.1 | 73.7 | 177.7 | -178.3 | 12.8 | 0 | 0 | 0 | 109.2 | Q154 P160 F161 K162 | Q154-N158 HydrophobicContact CB-CB 4.31Å; Q154-N158 VanDerWaalsContact O-CB 3.3Å; Q154-N158 WeakPolarHBondContact O-CB 3.47Å; Q154-N158 PolarHBondContact O-N 3.07Å; Q154-N158 VanDerWaalsContact O-N 3.08Å; Q154-N158 PolarHBondContact OE1-ND2 3.11Å; Q154-N158 VanDerWaalsContact OE1-ND2 3.07Å; N158-P160 VanDerWaalsContact C-CD 3.47Å; N158-P160 VanDerWaalsContact C-N 3.35Å; N158-F161 HydrophobicContact CB-CB 4.22Å; N158-F161 WeakPolarHBondContact ND2-CB 3.45Å; N158-F161 WeakPolarHBondContact O-CA 3.45Å; N158-F161 WeakPolarHBondContact O-CB 3.33Å; N158-F161 PolarHBondContact O-N 2.95Å; N158-K162 PolarHBondContact O-N 2.96Å | ||
| 159 | Q | 89.6 | Confident | 90.1 | Very high | 94 Ų | 94 | 56.9 Ų | 56.9 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -45.5 | -47.6 | -175.3 | -166.7 | 71.5 | 45.5 | 0 | 0 | 113.9 | R157 F161 K162 D163 | R157-Q159 PolarHBondContact O-N 3.43Å; Q159-F161 PolarHBondContact O-N 2.81Å; Q159-K162 PolarHBondContact O-N 2.77Å; Q159-D163 PolarHBondContact NE2-OD1 3.08Å; Q159-D163 WeakPolarHBondContact O-CB 3.35Å; Q159-D163 PolarHBondContact O-N 3.42Å |
| 160 | P | 89.7 | Confident | 89.6 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.2 | -11.1 | 179.2 | -20.2 | 34.4 | 0 | 0 | 0 | 115.3 | N158 K164 | N158-P160 VanDerWaalsContact C-CD 3.47Å; N158-P160 VanDerWaalsContact C-N 3.35Å; P160-K164 WeakPolarHBondContact O-CD 3.43Å; P160-K164 WeakPolarHBondContact O-CG 3.37Å |
| 161 | F | 91.5 | Very high | 89 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -92.7 | -41.7 | 168.7 | 169.9 | -104.1 | 0 | 0 | 0 | 111.2 | F33 F37 D40 L41 Q154 F155 N158 Q159 D163 K164 A165 | F33-F161 HydrophobicContact CZ-CZ 4.08Å; F37-F161 HydrophobicContact CB-CE2 3.91Å; F37-F161 HydrophobicContact CB-CZ 3.82Å; F37-F161 AromaticContact CD1-CE2 3.9Å; F37-F161 HydrophobicContact CD1-CE2 3.9Å; F37-F161 AromaticContact CD1-CZ 3.75Å; F37-F161 HydrophobicContact CD1-CZ 3.75Å; F37-F161 HydrophobicContact CG-CE2 4.26Å; F37-F161 AromaticContact CG-CZ 3.93Å; F37-F161 HydrophobicContact CG-CZ 3.93Å; D40-F161 HydrophobicContact CB-CD2 4.08Å; D40-F161 HydrophobicContact CB-CE2 4.01Å; L41-F161 HydrophobicContact CD2-CB 4.21Å; L41-F161 HydrophobicContact CD2-CD1 4.22Å; L41-F161 HydrophobicContact CD2-CD2 3.51Å; L41-F161 HydrophobicContact CD2-CE1 4.5Å; L41-F161 HydrophobicContact CD2-CE2 3.85Å; L41-F161 HydrophobicContact CD2-CG 3.71Å; L41-F161 HydrophobicContact CD2-CZ 4.34Å; L41-F161 HydrophobicContact CG-CD2 4.03Å; L41-F161 HydrophobicContact CG-CE2 3.88Å; L41-F161 HydrophobicContact CG-CZ 4.35Å; Q154-F161 HydrophobicContact CB-CD1 3.65Å; Q154-F161 HydrophobicContact CB-CE1 3.74Å; F155-F161 HydrophobicContact CD1-CD1 4.25Å; F155-F161 AromaticContact CD1-CE1 3.47Å; F155-F161 HydrophobicContact CD1-CE1 3.47Å; F155-F161 VanDerWaalsContact CD1-CE1 3.47Å; F155-F161 HydrophobicContact CD1-CZ 4.13Å; F155-F161 AromaticContact CE1-CE1 3.53Å; F155-F161 HydrophobicContact CE1-CE1 3.53Å; F155-F161 AromaticContact CE1-CZ 3.69Å; F155-F161 HydrophobicContact CE1-CZ 3.69Å; F155-F161 HydrophobicContact CG-CE1 4.03Å; F155-F161 HydrophobicContact CZ-CE1 4.16Å; F155-F161 HydrophobicContact CZ-CZ 4.15Å; N158-F161 HydrophobicContact CB-CB 4.22Å; N158-F161 WeakPolarHBondContact ND2-CB 3.45Å; N158-F161 WeakPolarHBondContact O-CA 3.45Å; N158-F161 WeakPolarHBondContact O-CB 3.33Å; N158-F161 PolarHBondContact O-N 2.95Å; Q159-F161 PolarHBondContact O-N 2.81Å; F161-D163 VanDerWaalsContact C-N 3.32Å; F161-D163 PolarHBondContact O-N 3.43Å; F161-K164 WeakPolarHBondContact O-CB 3.45Å; F161-K164 PolarHBondContact O-N 3.31Å; F161-K164 VanDerWaalsContact O-N 3.08Å; F161-A165 PolarHBondContact O-N 2.66Å |
| 162 | K | 90.6 | Very high | 88.4 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.6 | -47.7 | 171.3 | -163.3 | -176.8 | -162.1 | 85.8 | 0 | 111.1 | F155 D156 N158 Q159 K164 A165 N166 | F155-K162 WeakPolarHBondContact O-CB 3.33Å; F155-K162 WeakPolarHBondContact O-CD 3.43Å; F155-K162 WeakPolarHBondContact O-CE 2.88Å; F155-K162 WeakPolarHBondContact O-CG 3.32Å; F155-K162 PolarHBondContact O-NZ 2.94Å; D156-K162 IonicContact OD1-NZ 2.93Å; D156-K162 PolarHBondContact OD1-NZ 2.91Å; D156-K162 VanDerWaalsContact OD1-NZ 3.09Å; N158-K162 PolarHBondContact O-N 2.96Å; Q159-K162 PolarHBondContact O-N 2.77Å; K162-K164 PolarHBondContact O-N 2.85Å; K162-A165 PolarHBondContact O-N 2.8Å; K162-N166 WeakPolarHBondContact O-CB 3.36Å; K162-N166 PolarHBondContact O-N 3.09Å; K162-N166 PolarHBondContact O-OD1 3.24Å |
| 163 | D | 90.4 | Very high | 87.9 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59 | -31.4 | 177.4 | -58.1 | -24.6 | 0 | 0 | 0 | 112.3 | Q159 F161 L167 | Q159-D163 PolarHBondContact NE2-OD1 3.08Å; Q159-D163 WeakPolarHBondContact O-CB 3.35Å; Q159-D163 PolarHBondContact O-N 3.42Å; F161-D163 VanDerWaalsContact C-N 3.32Å; F161-D163 PolarHBondContact O-N 3.43Å; D163-L167 WeakPolarHBondContact O-CD1 3.43Å; D163-L167 WeakPolarHBondContact O-CG 3.48Å |
| 164 | K | 88.9 | Confident | 87.2 | Confident | 101 Ų | 101 | 76.9 Ų | 76.9 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -80.7 | -41.4 | 176.6 | -78.6 | 177.5 | 136.4 | -137.1 | 0 | 113.1 | D40 P160 F161 K162 N166 L167 | D40-K164 IonicContact OD1-NZ 3.96Å; D40-K164 PolarHBondContact OD1-NZ 3.05Å; P160-K164 WeakPolarHBondContact O-CD 3.43Å; P160-K164 WeakPolarHBondContact O-CG 3.37Å; F161-K164 WeakPolarHBondContact O-CB 3.45Å; F161-K164 PolarHBondContact O-N 3.31Å; F161-K164 VanDerWaalsContact O-N 3.08Å; K162-K164 PolarHBondContact O-N 2.85Å; K164-N166 VanDerWaalsContact C-N 3.3Å; K164-L167 PolarHBondContact O-N 3.04Å |
| 165 | A | 87.3 | Confident | 86.4 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F37 F155 F161 K162 L167 R168 | F37-A165 HydrophobicContact CE1-CB 4.01Å; F155-A165 HydrophobicContact CD1-CB 4.23Å; F155-A165 HydrophobicContact CE1-CB 3.97Å; F161-A165 PolarHBondContact O-N 2.66Å; K162-A165 PolarHBondContact O-N 2.8Å; A165-L167 PolarHBondContact O-N 3.22Å; A165-R168 PolarHBondContact O-N 3.03Å; A165-R168 VanDerWaalsContact O-N 3.12Å |
| 166 | N | 87.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 80.4 Ų | 80.4 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -2.9 | 176.7 | -66.2 | 8.4 | 0 | 0 | 0 | 114.9 | K162 K164 | K162-N166 WeakPolarHBondContact O-CB 3.36Å; K162-N166 PolarHBondContact O-N 3.09Å; K162-N166 PolarHBondContact O-OD1 3.24Å; K164-N166 VanDerWaalsContact C-N 3.3Å |
| 167 | L | 88.4 | Confident | 85.8 | Confident | 150 Ų | 150 | 77.5 Ų | 77.5 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -5.6 | 173.8 | -74.7 | 168.9 | 0 | 0 | 0 | 113.4 | D163 K164 A165 | D163-L167 WeakPolarHBondContact O-CD1 3.43Å; D163-L167 WeakPolarHBondContact O-CG 3.48Å; K164-L167 PolarHBondContact O-N 3.04Å; A165-L167 PolarHBondContact O-N 3.22Å |
| 168 | R | 85.7 | Confident | 85.8 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 28% | 0.283 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -85.8 | 154 | 168.6 | -55.3 | -169.9 | -172.2 | -175.3 | 5.8 | 109.3 | F36 D40 A165 D172 L173 | F36-R168 VanDerWaalsContact O-CZ 3.32Å; F36-R168 PolarHBondContact O-NH1 3.25Å; F36-R168 PolarHBondContact O-NH2 3.39Å; D40-R168 IonicContact OD2-CZ 3.65Å; D40-R168 IonicContact OD2-NH2 2.82Å; D40-R168 PolarHBondContact OD2-NH2 2.82Å; A165-R168 PolarHBondContact O-N 3.03Å; A165-R168 VanDerWaalsContact O-N 3.12Å; R168-D172 HydrophobicContact CB-CB 4.43Å; R168-L173 HydrophobicContact CB-CD1 4.37Å; R168-L173 HydrophobicContact CB-CD2 4.13Å; R168-L173 HydrophobicContact CB-CG 4.11Å |
| 169 | S | 83.6 | Confident | 85.7 | Confident | 45 Ų | 45 | 74.1 Ų | 74.1 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | trans | -72 | 154.9 | 176.3 | 79.9 | 0 | 0 | 0 | 0 | 110.6 | V171 D172 L173 | S169-V171 PolarHBondContact O-N 3.31Å; S169-V171 VanDerWaalsContact O-N 3.14Å; S169-V171 PolarHBondContact OG-N 3.41Å; S169-D172 WeakPolarHBondContact CA-OD2 3.35Å; S169-D172 WeakPolarHBondContact CB-OD2 3.19Å; S169-D172 PolarHBondContact N-OD2 3.47Å; S169-D172 PolarHBondContact O-N 3.49Å; S169-D172 PolarHBondContact OG-N 3.1Å; S169-D172 VanDerWaalsContact OG-N 3.12Å; S169-D172 PolarHBondContact OG-OD2 3.39Å; S169-L173 WeakPolarHBondContact O-CG 3.41Å; S169-L173 PolarHBondContact O-N 3.4Å | ||
| 170 | P | 82.9 | Confident | 85.6 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 66% | 0.656 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -59.8 | -20.7 | 172.6 | -24.7 | 35.4 | 0 | 0 | 0 | 113.8 | R174 | P170-R174 PolarHBondContact O-N 3.16Š|
| 171 | V | 81.5 | Confident | 85.6 | Confident | 120 Ų | 120 | 68 Ų | 68 | 73% | 0.727 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -40.9 | 177.1 | -174 | 0 | 0 | 0 | 0 | 110.6 | S169 L173 R174 | S169-V171 PolarHBondContact O-N 3.31Å; S169-V171 VanDerWaalsContact O-N 3.14Å; S169-V171 PolarHBondContact OG-N 3.41Å; V171-L173 PolarHBondContact O-N 2.94Å; V171-L173 VanDerWaalsContact O-N 3.1Å; V171-R174 PolarHBondContact O-N 3.39Å |
| 172 | D | 80.7 | Confident | 85.2 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -12.4 | 173.9 | -52.1 | -55.3 | 0 | 0 | 0 | 113.4 | R168 S169 | R168-D172 HydrophobicContact CB-CB 4.43Å; S169-D172 WeakPolarHBondContact CA-OD2 3.35Å; S169-D172 WeakPolarHBondContact CB-OD2 3.19Å; S169-D172 PolarHBondContact N-OD2 3.47Å; S169-D172 PolarHBondContact O-N 3.49Å; S169-D172 PolarHBondContact OG-N 3.1Å; S169-D172 VanDerWaalsContact OG-N 3.12Å; S169-D172 PolarHBondContact OG-OD2 3.39Å |
| 173 | L | 80 | Confident | 84.6 | Confident | 59 Ų | 59 | 68.7 Ų | 68.7 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -21.1 | -175.4 | -68.9 | -179 | 0 | 0 | 0 | 113.8 | F37 R168 S169 V171 F175 | F37-L173 HydrophobicContact CE1-CD2 4.14Å; F37-L173 HydrophobicContact CZ-CD2 3.71Å; R168-L173 HydrophobicContact CB-CD1 4.37Å; R168-L173 HydrophobicContact CB-CD2 4.13Å; R168-L173 HydrophobicContact CB-CG 4.11Å; S169-L173 WeakPolarHBondContact O-CG 3.41Å; S169-L173 PolarHBondContact O-N 3.4Å; V171-L173 PolarHBondContact O-N 2.94Å; V171-L173 VanDerWaalsContact O-N 3.1Å; L173-F175 PolarHBondContact O-N 2.79Å |
| 174 | R | 78.1 | Confident | 84.1 | Confident | 127 Ų | 127 | 65.9 Ų | 65.9 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -82.1 | 112 | 170.7 | -74.9 | -175.8 | -176.6 | -122.9 | -8.5 | 108.4 | P170 V171 P176 V310 D311 | P170-R174 PolarHBondContact O-N 3.16Å; V171-R174 PolarHBondContact O-N 3.39Å; R174-P176 VanDerWaalsContact O-CD 3.3Å; R174-P176 WeakPolarHBondContact O-CD 3.23Å; R174-V310 PolarHBondContact NH1-O 3.48Å; R174-V310 VanDerWaalsContact NH1-O 3.09Å; R174-D311 IonicContact CZ-OD2 3.33Å; R174-D311 IonicContact NH1-OD1 3.28Å; R174-D311 PolarHBondContact NH1-OD1 3.48Å; R174-D311 VanDerWaalsContact NH1-OD1 3.15Å; R174-D311 IonicContact NH1-OD2 2.73Å; R174-D311 PolarHBondContact NH1-OD2 3.09Å; R174-D311 IonicContact NH2-OD1 2.72Å; R174-D311 IonicContact NH2-OD2 3.02Å; R174-D311 PolarHBondContact NH2-OD2 2.96Å |
| 175 | F | 76.5 | Confident | 84 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 18% | 0.18 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 121.1 | 172.2 | -169.2 | -128.9 | 0 | 0 | 0 | 109.4 | F36 L173 W188 L190 F1272 | F36-F175 HydrophobicContact CE2-CB 4.4Å; F36-F175 AromaticContact CE2-CD2 3.8Å; F36-F175 HydrophobicContact CE2-CD2 3.8Å; F36-F175 HydrophobicContact CE2-CE2 4.4Å; F36-F175 HydrophobicContact CE2-CG 4.26Å; F36-F175 AromaticContact CZ-CD2 3.8Å; F36-F175 HydrophobicContact CZ-CD2 3.8Å; F36-F175 HydrophobicContact CZ-CE2 4.45Å; L173-F175 PolarHBondContact O-N 2.79Å; F175-W188 AromaticContact CD1-CE3 3.55Å; F175-W188 HydrophobicContact CD1-CE3 3.55Å; F175-W188 AromaticContact CD1-CZ3 3.7Å; F175-W188 HydrophobicContact CD1-CZ3 3.7Å; F175-W188 AromaticContact CE1-CE3 3.7Å; F175-W188 HydrophobicContact CE1-CE3 3.7Å; F175-W188 HydrophobicContact CE1-CZ3 4.31Å; F175-W188 HydrophobicContact CG-CZ3 4.4Å; F175-W188 WeakPolarHBondContact O-CZ3 3.41Å; F175-L190 HydrophobicContact CD1-CD2 4.48Å; F175-L190 HydrophobicContact CE1-CD2 3.62Å; F175-L190 HydrophobicContact CZ-CD2 3.68Å; F175-F1272 VanDerWaalsContact CB-OXT 3.3Å; F175-F1272 WeakPolarHBondContact CB-OXT 3.43Å; F175-F1272 PolarHBondContact N-OXT 2.95Å |
| 176 | P | 81.3 | Confident | 84.1 | Confident | 92 Ų | 92 | 63.2 Ų | 63.2 | 60% | 0.597 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 146.8 | 175.3 | 33.9 | -32.5 | 0 | 0 | 0 | 110.7 | R174 | R174-P176 VanDerWaalsContact O-CD 3.3Å; R174-P176 WeakPolarHBondContact O-CD 3.23Å |
| 177 | P | 87.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 58 Ų | 58 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.5 | 165.5 | 28.9 | -33.7 | 0 | 0 | 0 | 109.8 | G179 Y187 W188 | P177-G179 PolarHBondContact O-N 3.12Å; P177-Y187 CarbonylContact C-O 3.6Å; P177-W188 HydrophobicContact CB-CD2 4.11Å; P177-W188 HydrophobicContact CB-CE3 4.07Å; P177-W188 HydrophobicContact CB-CH2 4.22Å; P177-W188 HydrophobicContact CB-CZ2 4.21Å; P177-W188 HydrophobicContact CB-CZ3 4.14Å; P177-W188 HydrophobicContact CG-CH2 4.37Å |
| 178 | L | 88.8 | Confident | 84.5 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -65.3 | -23.4 | 178.7 | -178.2 | 60.9 | 0 | 0 | 0 | 112.5 | Y187 L189 A666 L667 T670 | L178-Y187 WeakPolarHBondContact CB-O 3.35Å; L178-Y187 PolarHBondContact N-O 3.29Å; L178-L189 HydrophobicContact CD2-CB 3.99Å; L178-L189 HydrophobicContact CD2-CD2 3.94Å; L178-A666 HydrophobicContact CD1-CB 3.82Å; L178-A666 HydrophobicContact CG-CB 4.28Å; L178-L667 HydrophobicContact CD2-CD2 3.52Å; L178-L667 HydrophobicContact CD2-CG 3.98Å; L178-T670 HydrophobicContact CD1-CG2 3.82Å |
| 179 | G | 88.7 | Confident | 84.8 | Confident | 15 Ų | 15 | 50.1 Ų | 50.1 | 16% | 0.155 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167 | -177.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | P177 Y187 | P177-G179 PolarHBondContact O-N 3.12Å; G179-Y187 PolarHBondContact O-N 3.19Å |
| 180 | I | 88.4 | Confident | 85.1 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.9 | -178.8 | -54.8 | 176.2 | 0 | 0 | 0 | 108.6 | R185 Q659 H660 | I180-R185 VanDerWaalsContact CA-O 3.28Å; I180-R185 WeakPolarHBondContact CA-O 3.42Å; I180-R185 WeakPolarHBondContact CG2-O 3.36Å; I180-Q659 CarbonylContact O-C 3.4Å; I180-Q659 VanDerWaalsContact O-C 3.25Å; I180-H660 WeakPolarHBondContact O-CA 3.08Å; I180-H660 PolarHBondContact O-N 3.34Å |
| 181 | D | 88.8 | Confident | 85.5 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | trans | -86.2 | -175.5 | 178.3 | 71.4 | 16.9 | 0 | 0 | 0 | 114.2 | W183 G184 R185 Y187 L226 L663 | D181-W183 PolarHBondContact O-N 2.61Å; D181-W183 WeakPolarHBondContact OD1-CA 3.5Å; D181-W183 PolarHBondContact OD1-N 3.14Å; D181-G184 PolarHBondContact OD1-N 3.25Å; D181-R185 PolarHBondContact N-O 3.07Å; D181-R185 PolarHBondContact OD1-N 3.33Å; D181-R185 WeakPolarHBondContact OD2-CB 3.45Å; D181-R185 WeakPolarHBondContact OD2-CD 3.3Å; D181-Y187 HydrophobicContact CB-CE2 3.94Å; D181-L226 HydrophobicContact CB-CD2 4.39Å; D181-L663 HydrophobicContact CB-CD2 4.11Å | ||
| 182 | V | 83.5 | Confident | 85.9 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.3 | 179.7 | -166.9 | 0 | 0 | 0 | 0 | 112.5 | F230 L236 I239 H660 | V182-F230 HydrophobicContact CG2-CB 4.09Å; V182-F230 HydrophobicContact CG2-CD2 3.98Å; V182-F230 HydrophobicContact CG2-CG 4.02Å; V182-L236 HydrophobicContact CG1-CD2 3.83Å; V182-I239 HydrophobicContact CG1-CG2 4.02Å; V182-H660 HydrophobicContact CG2-CB 3.55Å |
| 183 | W | 79.2 | Confident | 86.2 | Confident | 66 Ų | 66 | 40.2 Ų | 40.2 | 25% | 0.25 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -8 | -175.6 | -57 | -56.8 | 0 | 0 | 0 | 113.9 | D181 A229 K243 | D181-W183 PolarHBondContact O-N 2.61Å; D181-W183 WeakPolarHBondContact OD1-CA 3.5Å; D181-W183 PolarHBondContact OD1-N 3.14Å; W183-A229 HydrophobicContact CH2-CB 3.44Å; W183-A229 VanDerWaalsContact CH2-CB 3.44Å; W183-A229 HydrophobicContact CZ2-CB 3.87Å; W183-A229 HydrophobicContact CZ3-CB 4.35Å; W183-K243 HydrophobicContact CB-CD 4.24Å; W183-K243 HydrophobicContact CG-CD 4.46Å; W183-K243 PolarHBondContact O-NZ 2.99Å |
| 184 | G | 79.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 97.4 | 14.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D181 H204 | D181-G184 PolarHBondContact OD1-N 3.25Å; G184-H204 PolarHBondContact O-CD2 3.15Å |
| 185 | R | 86.8 | Confident | 86.9 | Confident | 48 Ų | 48 | 34.7 Ų | 34.7 | 18% | 0.181 | 19% | 0.189 | C | C | . | . | trans | -88.2 | 137.3 | 178.9 | -54.1 | 172.1 | 163.6 | 167.7 | -8.8 | 110.6 | I180 D181 Y187 E202 D203 | I180-R185 VanDerWaalsContact CA-O 3.28Å; I180-R185 WeakPolarHBondContact CA-O 3.42Å; I180-R185 WeakPolarHBondContact CG2-O 3.36Å; D181-R185 PolarHBondContact N-O 3.07Å; D181-R185 PolarHBondContact OD1-N 3.33Å; D181-R185 WeakPolarHBondContact OD2-CB 3.45Å; D181-R185 WeakPolarHBondContact OD2-CD 3.3Å; R185-Y187 HydrophobicContact CB-CE2 4.2Å; R185-E202 WeakPolarHBondContact CA-O 3.31Å; R185-D203 HydrophobicContact CG-CB 4.18Å; R185-D203 IonicContact CZ-OD2 3.06Å; R185-D203 IonicContact NE-OD2 2.75Å; R185-D203 PolarHBondContact NE-OD2 3.01Å; R185-D203 IonicContact NH2-OD2 3.84Å; R185-D203 PolarHBondContact NH2-OD2 2.89Å | ||
| 186 | S | 89.5 | Confident | 87.5 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 147.9 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | W188 R201 E202 H204 | S186-W188 PolarHBondContact OG-NE1 3.33Å; S186-R201 WeakPolarHBondContact O-CA 3.41Å; S186-E202 PolarHBondContact N-O 3.17Å; S186-E202 PolarHBondContact O-N 3.13Å; S186-H204 WeakPolarHBondContact CB-NE2 3.42Å; S186-H204 PolarHBondContact OG-CE1 3.45Å; S186-H204 PolarHBondContact OG-NE2 2.97Å |
| 187 | Y | 91.9 | Very high | 88 | Confident | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129 | -173.4 | -76.5 | -104.2 | 0 | 0 | 0 | 111 | P177 L178 G179 D181 R185 Y200 R201 L212 L222 L663 | P177-Y187 CarbonylContact C-O 3.6Å; L178-Y187 WeakPolarHBondContact CB-O 3.35Å; L178-Y187 PolarHBondContact N-O 3.29Å; G179-Y187 PolarHBondContact O-N 3.19Å; D181-Y187 HydrophobicContact CB-CE2 3.94Å; R185-Y187 HydrophobicContact CB-CE2 4.2Å; Y187-Y200 WeakPolarHBondContact CA-O 3.46Å; Y187-R201 HydrophobicContact CE1-CB 4.3Å; Y187-L212 HydrophobicContact CD1-CD1 4.25Å; Y187-L212 HydrophobicContact CE1-CD1 3.55Å; Y187-L222 HydrophobicContact CD1-CD2 4.35Å; Y187-L222 HydrophobicContact CE1-CD1 4.45Å; Y187-L222 HydrophobicContact CE1-CD2 3.99Å; Y187-L663 HydrophobicContact CD2-CD1 4.32Å; Y187-L663 HydrophobicContact CD2-CD2 3.56Å; Y187-L663 HydrophobicContact CE2-CD2 3.85Å; Y187-L663 HydrophobicContact CG-CD1 4.08Å; Y187-L663 HydrophobicContact CG-CD2 4.07Å |
| 188 | W | 91.6 | Very high | 88.2 | Confident | 29 Ų | 29 | 29 Ų | 29 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 111.2 | -168.4 | -61.9 | 102.9 | 0 | 0 | 0 | 111.6 | F175 P177 S186 L199 Y200 E202 F209 | F175-W188 AromaticContact CD1-CE3 3.55Å; F175-W188 HydrophobicContact CD1-CE3 3.55Å; F175-W188 AromaticContact CD1-CZ3 3.7Å; F175-W188 HydrophobicContact CD1-CZ3 3.7Å; F175-W188 AromaticContact CE1-CE3 3.7Å; F175-W188 HydrophobicContact CE1-CE3 3.7Å; F175-W188 HydrophobicContact CE1-CZ3 4.31Å; F175-W188 HydrophobicContact CG-CZ3 4.4Å; F175-W188 WeakPolarHBondContact O-CZ3 3.41Å; P177-W188 HydrophobicContact CB-CD2 4.11Å; P177-W188 HydrophobicContact CB-CE3 4.07Å; P177-W188 HydrophobicContact CB-CH2 4.22Å; P177-W188 HydrophobicContact CB-CZ2 4.21Å; P177-W188 HydrophobicContact CB-CZ3 4.14Å; P177-W188 HydrophobicContact CG-CH2 4.37Å; S186-W188 PolarHBondContact OG-NE1 3.33Å; W188-L199 WeakPolarHBondContact O-CA 3.23Å; W188-Y200 PolarHBondContact N-O 2.94Å; W188-Y200 PolarHBondContact O-N 3.17Å; W188-E202 PolarHBondContact NE1-OE2 3.26Å; W188-F209 AromaticContact CD1-CE2 3.92Å |
| 189 | L | 91.9 | Very high | 88.4 | Confident | 30 Ų | 30 | 27 Ų | 27 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 103.6 | -173.4 | -178.4 | 63 | 0 | 0 | 0 | 112.8 | L178 I197 L199 T670 L674 | L178-L189 HydrophobicContact CD2-CB 3.99Å; L178-L189 HydrophobicContact CD2-CD2 3.94Å; L189-I197 HydrophobicContact CD1-CB 4.38Å; L189-L199 HydrophobicContact CB-CD1 3.95Å; L189-L199 HydrophobicContact CD1-CB 4.18Å; L189-L199 HydrophobicContact CD1-CD1 4.23Å; L189-T670 HydrophobicContact CD2-CG2 4.28Å; L189-L674 HydrophobicContact CD2-CD1 4.06Å |
| 190 | L | 91.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139 | 175 | -60.7 | -179.4 | 0 | 0 | 0 | 111.4 | A28 C31 F47 F175 I197 Y198 Y200 | A28-L190 WeakPolarHBondContact O-CD1 3.47Å; C31-L190 HydrophobicContact CB-CD1 3.56Å; F47-L190 HydrophobicContact CE2-CB 3.9Å; F47-L190 HydrophobicContact CZ-CB 3.95Å; F175-L190 HydrophobicContact CD1-CD2 4.48Å; F175-L190 HydrophobicContact CE1-CD2 3.62Å; F175-L190 HydrophobicContact CZ-CD2 3.68Å; L190-I197 WeakPolarHBondContact O-CA 3.09Å; L190-Y198 PolarHBondContact N-O 2.64Å; L190-Y198 PolarHBondContact O-N 2.76Å; L190-Y200 HydrophobicContact CD1-CE2 3.99Å |
| 191 | K | 91.3 | Very high | 88.6 | Confident | 73 Ų | 73 | 24.4 Ų | 24.4 | 32% | 0.317 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.4 | 172.9 | 79.1 | -179.2 | -171.4 | 170.9 | 0 | 112.6 | T35 I197 L674 E677 | T35-K191 WeakPolarHBondContact CG2-O 3.14Å; T35-K191 PolarHBondContact OG1-O 2.92Å; K191-I197 HydrophobicContact CB-CG2 4.48Å; K191-L674 HydrophobicContact CB-CD2 4.46Å; K191-L674 HydrophobicContact CD-CD2 3.37Å; K191-E677 IonicContact NZ-OE1 2.67Å; K191-E677 PolarHBondContact NZ-OE1 2.9Å; K191-E677 IonicContact NZ-OE2 2.63Å; K191-E677 PolarHBondContact NZ-OE2 2.93Å |
| 192 | D | 89.8 | Confident | 88.6 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | trans | -116.8 | -177.8 | -176.7 | 83.4 | 0.6 | 0 | 0 | 0 | 116.1 | T46 F47 D194 I195 N196 R681 | T46-D192 WeakPolarHBondContact CA-OD2 3.23Å; T46-D192 WeakPolarHBondContact CB-OD2 3.3Å; F47-D192 HydrophobicContact CD1-CB 3.85Å; F47-D192 HydrophobicContact CD2-CB 3.95Å; F47-D192 HydrophobicContact CE1-CB 3.77Å; F47-D192 HydrophobicContact CE2-CB 3.87Å; F47-D192 HydrophobicContact CG-CB 3.94Å; F47-D192 HydrophobicContact CZ-CB 3.78Å; F47-D192 PolarHBondContact N-OD2 3.36Å; D192-D194 PolarHBondContact O-N 2.94Å; D192-D194 VanDerWaalsContact O-N 3.13Å; D192-D194 WeakPolarHBondContact OD1-CA 3.38Å; D192-D194 PolarHBondContact OD1-N 2.96Å; D192-I195 PolarHBondContact O-N 3.32Å; D192-I195 PolarHBondContact OD1-N 3.23Å; D192-N196 VanDerWaalsContact CG-ND2 3.35Å; D192-N196 PolarHBondContact N-O 3.27Å; D192-N196 PolarHBondContact OD1-N 3.29Å; D192-N196 PolarHBondContact OD1-ND2 2.9Å; D192-N196 VanDerWaalsContact OD1-ND2 3.11Å; D192-N196 PolarHBondContact OD2-ND2 3.36Å; D192-R681 PolarHBondContact O-NH1 2.9Å | ||
| 193 | S | 85.5 | Confident | 88.6 | Confident | 67 Ų | 67 | 26.1 Ų | 26.1 | 47% | 0.469 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -0.8 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | R681 | S193-R681 PolarHBondContact O-NH1 2.97Š|
| 194 | D | 85.7 | Confident | 88.3 | Confident | 60 Ų | 60 | 26.8 Ų | 26.8 | 32% | 0.321 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -2.5 | 169 | -97.3 | -28.8 | 0 | 0 | 0 | 114.6 | T46 D192 R681 K685 | T46-D194 HydrophobicContact CG2-CB 3.73Å; T46-D194 WeakPolarHBondContact CG2-OD2 3.38Å; D192-D194 PolarHBondContact O-N 2.94Å; D192-D194 VanDerWaalsContact O-N 3.13Å; D192-D194 WeakPolarHBondContact OD1-CA 3.38Å; D192-D194 PolarHBondContact OD1-N 2.96Å; D194-R681 VanDerWaalsContact N-NH1 3.14Å; D194-K685 VanDerWaalsContact OD1-CE 3.23Å; D194-K685 WeakPolarHBondContact OD1-CE 3.42Å; D194-K685 IonicContact OD1-NZ 2.76Å; D194-K685 PolarHBondContact OD1-NZ 2.98Å; D194-K685 IonicContact OD2-NZ 2.87Å |
| 195 | I | 88.5 | Confident | 87.7 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | trans | 68.5 | 38.2 | -173.5 | -67.4 | 146.4 | 0 | 0 | 0 | 111.7 | D192 F216 E677 R681 | D192-I195 PolarHBondContact O-N 3.32Å; D192-I195 PolarHBondContact OD1-N 3.23Å; I195-F216 HydrophobicContact CG2-CE2 4.27Å; I195-F216 HydrophobicContact CG2-CZ 3.61Å; I195-E677 HydrophobicContact CD1-CB 3.42Å; I195-E677 VanDerWaalsContact CD1-CB 3.42Å; I195-E677 HydrophobicContact CG1-CB 4.44Å; I195-R681 HydrophobicContact CD1-CG 4.04Å; I195-R681 VanDerWaalsContact N-NH1 3.19Å | ||
| 196 | N | 88.9 | Confident | 86.7 | Confident | 54 Ų | 54 | 33.9 Ų | 33.9 | 29% | 0.289 | 17% | 0.168 | S | C | . | . | trans | -75.7 | 140.4 | 150.9 | -46 | -79.1 | 0 | 0 | 0 | 107.5 | P48 D192 | P48-N196 HydrophobicContact CG-CB 4.11Å; D192-N196 VanDerWaalsContact CG-ND2 3.35Å; D192-N196 PolarHBondContact N-O 3.27Å; D192-N196 PolarHBondContact OD1-N 3.29Å; D192-N196 PolarHBondContact OD1-ND2 2.9Å; D192-N196 VanDerWaalsContact OD1-ND2 3.11Å; D192-N196 PolarHBondContact OD2-ND2 3.36Å | ||
| 197 | I | 91.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149 | -177.6 | 64.6 | 172.5 | 0 | 0 | 0 | 110.3 | L189 L190 K191 F216 V219 L674 | L189-I197 HydrophobicContact CD1-CB 4.38Å; L190-I197 WeakPolarHBondContact O-CA 3.09Å; K191-I197 HydrophobicContact CB-CG2 4.48Å; I197-F216 HydrophobicContact CD1-CD1 3.94Å; I197-F216 HydrophobicContact CD1-CE1 3.87Å; I197-F216 HydrophobicContact CD1-CG 4.45Å; I197-F216 HydrophobicContact CD1-CZ 4.33Å; I197-F216 HydrophobicContact CG2-CE1 4.17Å; I197-F216 HydrophobicContact CG2-CZ 4.04Å; I197-V219 HydrophobicContact CD1-CG2 3.88Å; I197-L674 HydrophobicContact CG2-CD1 4.2Å |
| 198 | Y | 91.5 | Very high | 85 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127.4 | 164.7 | -71.5 | -39 | 0 | 0 | 0 | 109.1 | F27 F47 L190 Y200 L211 C213 E214 | F27-Y198 HydrophobicContact CE1-CD2 4.44Å; F27-Y198 AromaticContact CE1-CE2 3.77Å; F27-Y198 HydrophobicContact CE1-CE2 3.77Å; F27-Y198 HydrophobicContact CZ-CE2 4.35Å; F47-Y198 HydrophobicContact CB-CD2 4.12Å; F47-Y198 HydrophobicContact CB-CE2 3.53Å; F47-Y198 AromaticContact CD2-CD2 3.66Å; F47-Y198 HydrophobicContact CD2-CD2 3.66Å; F47-Y198 AromaticContact CD2-CE2 3.99Å; F47-Y198 HydrophobicContact CD2-CE2 3.99Å; F47-Y198 HydrophobicContact CD2-CG 4.32Å; F47-Y198 HydrophobicContact CE2-CD2 4.32Å; F47-Y198 HydrophobicContact CG-CD2 4.08Å; F47-Y198 AromaticContact CG-CE2 4Å; F47-Y198 HydrophobicContact CG-CE2 4Å; L190-Y198 PolarHBondContact N-O 2.64Å; L190-Y198 PolarHBondContact O-N 2.76Å; Y198-Y200 HydrophobicContact CG-CE2 4.46Å; Y198-L211 HydrophobicContact CD1-CD1 3.89Å; Y198-L211 HydrophobicContact CD1-CD2 4.45Å; Y198-L211 HydrophobicContact CG-CD1 4.03Å; Y198-C213 WeakPolarHBondContact CA-O 3.33Å; Y198-E214 HydrophobicContact CD1-CB 4.3Å; Y198-E214 HydrophobicContact CD1-CG 4.07Å; Y198-E214 HydrophobicContact CE1-CB 4.16Å; Y198-E214 HydrophobicContact CE1-CG 3.87Å |
| 199 | L | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.9 | 174.7 | -177.4 | 62.2 | 0 | 0 | 0 | 109.3 | W188 L189 L212 C213 V219 L222 L667 | W188-L199 WeakPolarHBondContact O-CA 3.23Å; L189-L199 HydrophobicContact CB-CD1 3.95Å; L189-L199 HydrophobicContact CD1-CB 4.18Å; L189-L199 HydrophobicContact CD1-CD1 4.23Å; L199-L212 PolarHBondContact O-N 3.38Å; L199-C213 HydrophobicContact CB-CB 3.97Å; L199-C213 PolarHBondContact N-O 2.8Å; L199-C213 VanDerWaalsContact N-O 3.11Å; L199-C213 PolarHBondContact O-N 3.13Å; L199-V219 HydrophobicContact CD2-CG1 3.91Å; L199-V219 HydrophobicContact CD2-CG2 4.2Å; L199-L222 HydrophobicContact CD2-CD2 3.41Å; L199-L222 VanDerWaalsContact CD2-CD2 3.41Å; L199-L222 HydrophobicContact CG-CD2 4.44Å; L199-L667 HydrophobicContact CD2-CD2 3.82Å |
| 200 | Y | 91.5 | Very high | 84.2 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149 | 177.3 | -57.8 | -98.9 | 0 | 0 | 0 | 110.6 | R22 A28 Y187 W188 L190 Y198 F209 Q210 L211 | R22-Y200 WeakPolarHBondContact O-CE1 3.09Å; A28-Y200 HydrophobicContact CB-CD1 4.42Å; A28-Y200 HydrophobicContact CB-CD2 4.48Å; A28-Y200 HydrophobicContact CB-CE1 3.91Å; A28-Y200 HydrophobicContact CB-CE2 4Å; Y187-Y200 WeakPolarHBondContact CA-O 3.46Å; W188-Y200 PolarHBondContact N-O 2.94Å; W188-Y200 PolarHBondContact O-N 3.17Å; L190-Y200 HydrophobicContact CD1-CE2 3.99Å; Y198-Y200 HydrophobicContact CG-CE2 4.46Å; Y200-F209 AromaticContact CD1-CD1 3.99Å; Y200-F209 HydrophobicContact CD1-CD1 3.99Å; Y200-F209 AromaticContact CD1-CE1 3.29Å; Y200-F209 HydrophobicContact CD1-CE1 3.29Å; Y200-F209 AromaticContact CD1-CZ 3.99Å; Y200-F209 HydrophobicContact CD1-CZ 3.99Å; Y200-F209 HydrophobicContact CD2-CE1 4.39Å; Y200-F209 HydrophobicContact CD2-CZ 4.39Å; Y200-F209 AromaticContact CE1-CE1 3.89Å; Y200-F209 HydrophobicContact CE1-CE1 3.89Å; Y200-F209 AromaticContact CG-CE1 3.59Å; Y200-F209 HydrophobicContact CG-CE1 3.59Å; Y200-F209 AromaticContact CG-CZ 3.79Å; Y200-F209 HydrophobicContact CG-CZ 3.79Å; Y200-Q210 CarbonylContact C-O 3.31Å; Y200-Q210 VanDerWaalsContact CA-O 3.24Å; Y200-Q210 WeakPolarHBondContact CA-O 3.24Å; Y200-L211 HydrophobicContact CD1-CB 3.91Å; Y200-L211 HydrophobicContact CD1-CD1 4.09Å; Y200-L211 HydrophobicContact CD2-CD1 4.43Å; Y200-L211 HydrophobicContact CE1-CB 3.83Å; Y200-L211 HydrophobicContact CE1-CD1 3.8Å; Y200-L211 HydrophobicContact CE1-CG 4.39Å; Y200-L211 HydrophobicContact CE2-CD1 4.14Å; Y200-L211 HydrophobicContact CG-CD1 4.39Å |
| 201 | R | 90.7 | Very high | 84.1 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 144.8 | 159.8 | 65.6 | 175.6 | -174.7 | -163.3 | 10.7 | 110 | E13 S186 Y187 Q210 L212 | E13-R201 IonicContact OE1-CZ 3.22Å; E13-R201 VanDerWaalsContact OE1-CZ 3.28Å; E13-R201 IonicContact OE1-NH1 3.15Å; E13-R201 PolarHBondContact OE1-NH1 2.92Å; E13-R201 IonicContact OE1-NH2 4Å; E13-R201 PolarHBondContact OE1-NH2 3.17Å; E13-R201 IonicContact OE2-CZ 2.7Å; E13-R201 IonicContact OE2-NH2 2.63Å; E13-R201 PolarHBondContact OE2-NH2 3.47Å; S186-R201 WeakPolarHBondContact O-CA 3.41Å; Y187-R201 HydrophobicContact CE1-CB 4.3Å; R201-Q210 HydrophobicContact CG-CB 4.1Å; R201-Q210 PolarHBondContact N-O 3.44Å; R201-Q210 PolarHBondContact O-N 3.16Å; R201-L212 HydrophobicContact CB-CD1 3.8Å; R201-L212 HydrophobicContact CB-CG 4.24Å; R201-L212 HydrophobicContact CG-CD1 3.96Å; R201-L212 HydrophobicContact CG-CD2 4.07Å; R201-L212 HydrophobicContact CG-CG 3.95Å |
| 202 | E | 88.4 | Confident | 83.8 | Confident | 41 Ų | 41 | 42.7 Ų | 42.7 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.3 | 167.7 | -176 | -169.1 | 158.5 | 0 | 0 | 109 | R185 S186 W188 H204 N208 F209 | R185-E202 WeakPolarHBondContact CA-O 3.31Å; S186-E202 PolarHBondContact N-O 3.17Å; S186-E202 PolarHBondContact O-N 3.13Å; W188-E202 PolarHBondContact NE1-OE2 3.26Å; E202-H204 VanDerWaalsContact CD-ND1 3.34Å; E202-H204 IonicContact OE1-CE1 3.3Å; E202-H204 PolarHBondContact OE1-CE1 2.98Å; E202-H204 IonicContact OE1-ND1 3.98Å; E202-H204 PolarHBondContact OE1-ND1 3.42Å; E202-H204 IonicContact OE2-CE1 2.66Å; E202-N208 WeakPolarHBondContact CA-O 3.48Å; E202-F209 HydrophobicContact CB-CD2 3.92Å; E202-F209 HydrophobicContact CB-CE2 4.38Å; E202-F209 HydrophobicContact CG-CD2 4.07Å |
| 203 | D | 84.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 104.5 | 169.4 | -162.8 | -42.6 | 0 | 0 | 0 | 109.8 | R185 Q205 E206 N207 N208 | R185-D203 HydrophobicContact CG-CB 4.18Å; R185-D203 IonicContact CZ-OD2 3.06Å; R185-D203 IonicContact NE-OD2 2.75Å; R185-D203 PolarHBondContact NE-OD2 3.01Å; R185-D203 IonicContact NH2-OD2 3.84Å; R185-D203 PolarHBondContact NH2-OD2 2.89Å; D203-Q205 PolarHBondContact O-N 2.98Å; D203-Q205 VanDerWaalsContact O-N 3.09Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.48Å; D203-Q205 PolarHBondContact OD1-N 3.18Å; D203-E206 HydrophobicContact CB-CB 4.49Å; D203-E206 PolarHBondContact O-N 3.32Å; D203-N207 WeakPolarHBondContact O-CA 3.41Å; D203-N207 PolarHBondContact O-N 2.93Å; D203-N208 HydrophobicContact CB-CB 4.3Å; D203-N208 PolarHBondContact N-O 3.15Å; D203-N208 PolarHBondContact O-N 3.13Å |
| 204 | H | 72.7 | Confident | 83.8 | Confident | 81 Ų | 81 | 42.8 Ų | 42.8 | 38% | 0.375 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -4.9 | -179.4 | -54.1 | -59.4 | 0 | 0 | 0 | 114.1 | G184 S186 E202 | G184-H204 PolarHBondContact O-CD2 3.15Å; S186-H204 WeakPolarHBondContact CB-NE2 3.42Å; S186-H204 PolarHBondContact OG-CE1 3.45Å; S186-H204 PolarHBondContact OG-NE2 2.97Å; E202-H204 VanDerWaalsContact CD-ND1 3.34Å; E202-H204 IonicContact OE1-CE1 3.3Å; E202-H204 PolarHBondContact OE1-CE1 2.98Å; E202-H204 IonicContact OE1-ND1 3.98Å; E202-H204 PolarHBondContact OE1-ND1 3.42Å; E202-H204 IonicContact OE2-CE1 2.66Å |
| 205 | Q | 67.4 | Low | 83.9 | Confident | 109 Ų | 109 | 42 Ų | 42 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -32.1 | 174.1 | -54.3 | -166.9 | -75.9 | 0 | 0 | 112.6 | D203 | D203-Q205 PolarHBondContact O-N 2.98Å; D203-Q205 VanDerWaalsContact O-N 3.09Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.48Å; D203-Q205 PolarHBondContact OD1-N 3.18Å |
| 206 | E | 65 | Low | 83.9 | Confident | 107 Ų | 107 | 43.4 Ų | 43.4 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -7.8 | -178.9 | -63 | -173 | 159.5 | 0 | 0 | 113.4 | D203 N208 | D203-E206 HydrophobicContact CB-CB 4.49Å; D203-E206 PolarHBondContact O-N 3.32Å; E206-N208 HydrophobicContact CB-CB 3.67Å; E206-N208 PolarHBondContact O-N 3.35Å; E206-N208 PolarHBondContact OE2-ND2 3.09Å; E206-N208 VanDerWaalsContact OE2-ND2 3.14Å |
| 207 | N | 67.1 | Low | 83.9 | Confident | 135 Ų | 135 | 45.8 Ų | 45.8 | 72% | 0.722 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 32.1 | -162.6 | -68.2 | -15.5 | 0 | 0 | 0 | 112.3 | D203 | D203-N207 WeakPolarHBondContact O-CA 3.41Å; D203-N207 PolarHBondContact O-N 2.93Å |
| 208 | N | 77.8 | Confident | 83.9 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 107.8 | -173 | -174 | 0.9 | 0 | 0 | 0 | 109.5 | E202 D203 E206 | E202-N208 WeakPolarHBondContact CA-O 3.48Å; D203-N208 HydrophobicContact CB-CB 4.3Å; D203-N208 PolarHBondContact N-O 3.15Å; D203-N208 PolarHBondContact O-N 3.13Å; E206-N208 HydrophobicContact CB-CB 3.67Å; E206-N208 PolarHBondContact O-N 3.35Å; E206-N208 PolarHBondContact OE2-ND2 3.09Å; E206-N208 VanDerWaalsContact OE2-ND2 3.14Å |
| 209 | F | 83.3 | Confident | 83.8 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.5 | -179.5 | -168.6 | -84.7 | 0 | 0 | 0 | 109.4 | P25 A28 W188 Y200 E202 F1272 | P25-F209 HydrophobicContact CB-CB 4.44Å; P25-F209 HydrophobicContact CB-CD1 4.05Å; P25-F209 HydrophobicContact CB-CG 4.28Å; A28-F209 HydrophobicContact CB-CE1 3.49Å; A28-F209 VanDerWaalsContact CB-CE1 3.49Å; A28-F209 HydrophobicContact CB-CZ 3.86Å; W188-F209 AromaticContact CD1-CE2 3.92Å; Y200-F209 AromaticContact CD1-CD1 3.99Å; Y200-F209 HydrophobicContact CD1-CD1 3.99Å; Y200-F209 AromaticContact CD1-CE1 3.29Å; Y200-F209 HydrophobicContact CD1-CE1 3.29Å; Y200-F209 AromaticContact CD1-CZ 3.99Å; Y200-F209 HydrophobicContact CD1-CZ 3.99Å; Y200-F209 HydrophobicContact CD2-CE1 4.39Å; Y200-F209 HydrophobicContact CD2-CZ 4.39Å; Y200-F209 AromaticContact CE1-CE1 3.89Å; Y200-F209 HydrophobicContact CE1-CE1 3.89Å; Y200-F209 AromaticContact CG-CE1 3.59Å; Y200-F209 HydrophobicContact CG-CE1 3.59Å; Y200-F209 AromaticContact CG-CZ 3.79Å; Y200-F209 HydrophobicContact CG-CZ 3.79Å; E202-F209 HydrophobicContact CB-CD2 3.92Å; E202-F209 HydrophobicContact CB-CE2 4.38Å; E202-F209 HydrophobicContact CG-CD2 4.07Å; F209-F1272 HydrophobicContact CE2-CZ 4.5Å; F209-F1272 HydrophobicContact CZ-CZ 4.27Å |
| 210 | Q | 85 | Confident | 83.7 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.8 | -165.5 | 176.9 | 175.5 | -8.7 | 0 | 0 | 112.2 | Y200 R201 | Y200-Q210 CarbonylContact C-O 3.31Å; Y200-Q210 VanDerWaalsContact CA-O 3.24Å; Y200-Q210 WeakPolarHBondContact CA-O 3.24Å; R201-Q210 HydrophobicContact CG-CB 4.1Å; R201-Q210 PolarHBondContact N-O 3.44Å; R201-Q210 PolarHBondContact O-N 3.16Å |
| 211 | L | 88.4 | Confident | 83.7 | Confident | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 131.6 | 169.2 | -177.9 | 70.6 | 0 | 0 | 0 | 110.5 | R22 Y198 Y200 E214 | R22-L211 HydrophobicContact CB-CD2 3.72Å; Y198-L211 HydrophobicContact CD1-CD1 3.89Å; Y198-L211 HydrophobicContact CD1-CD2 4.45Å; Y198-L211 HydrophobicContact CG-CD1 4.03Å; Y200-L211 HydrophobicContact CD1-CB 3.91Å; Y200-L211 HydrophobicContact CD1-CD1 4.09Å; Y200-L211 HydrophobicContact CD2-CD1 4.43Å; Y200-L211 HydrophobicContact CE1-CB 3.83Å; Y200-L211 HydrophobicContact CE1-CD1 3.8Å; Y200-L211 HydrophobicContact CE1-CG 4.39Å; Y200-L211 HydrophobicContact CE2-CD1 4.14Å; Y200-L211 HydrophobicContact CG-CD1 4.39Å; L211-E214 HydrophobicContact CD2-CG 4.09Å; L211-E214 WeakPolarHBondContact CD2-OE1 3.4Å |
| 212 | L | 85 | Confident | 83.6 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -43 | 175.7 | -67.9 | -178.9 | 0 | 0 | 0 | 113.3 | Y187 L199 R201 L222 | Y187-L212 HydrophobicContact CD1-CD1 4.25Å; Y187-L212 HydrophobicContact CE1-CD1 3.55Å; L199-L212 PolarHBondContact O-N 3.38Å; R201-L212 HydrophobicContact CB-CD1 3.8Å; R201-L212 HydrophobicContact CB-CG 4.24Å; R201-L212 HydrophobicContact CG-CD1 3.96Å; R201-L212 HydrophobicContact CG-CD2 4.07Å; R201-L212 HydrophobicContact CG-CG 3.95Å; L212-L222 HydrophobicContact CD1-CD1 4Å; L212-L222 HydrophobicContact CD1-CD2 3.89Å |
| 213 | C | 88.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.2 | -168.9 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | Y198 L199 D218 V219 | Y198-C213 WeakPolarHBondContact CA-O 3.33Å; L199-C213 HydrophobicContact CB-CB 3.97Å; L199-C213 PolarHBondContact N-O 2.8Å; L199-C213 VanDerWaalsContact N-O 3.11Å; L199-C213 PolarHBondContact O-N 3.13Å; C213-D218 HydrophobicContact CB-CB 3.65Å; C213-V219 HydrophobicContact CB-CG2 3.51Å |
| 214 | E | 86.8 | Confident | 84 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -118.8 | -18 | 175.1 | -53.3 | -161.9 | 157.5 | 0 | 0 | 113.4 | R22 Y198 L211 D218 | R22-E214 WeakPolarHBondContact CD-OE1 3.18Å; R22-E214 IonicContact CZ-OE1 2.62Å; R22-E214 IonicContact CZ-OE2 3.09Å; R22-E214 IonicContact NE-OE1 3.15Å; R22-E214 IonicContact NH1-OE1 2.75Å; R22-E214 PolarHBondContact NH1-OE1 3.19Å; R22-E214 IonicContact NH1-OE2 3.79Å; R22-E214 PolarHBondContact NH1-OE2 3.05Å; Y198-E214 HydrophobicContact CD1-CB 4.3Å; Y198-E214 HydrophobicContact CD1-CG 4.07Å; Y198-E214 HydrophobicContact CE1-CB 4.16Å; Y198-E214 HydrophobicContact CE1-CG 3.87Å; L211-E214 HydrophobicContact CD2-CG 4.09Å; L211-E214 WeakPolarHBondContact CD2-OE1 3.4Å; E214-D218 PolarHBondContact N-OD2 2.81Å; E214-D218 VanDerWaalsContact N-OD2 3.14Å |
| 215 | S | 87.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -130 | 162.1 | -177 | 77.1 | 0 | 0 | 0 | 0 | 112.2 | D217 D218 V219 | S215-D217 PolarHBondContact O-N 2.99Å; S215-D218 WeakPolarHBondContact CA-OD2 3.35Å; S215-D218 WeakPolarHBondContact CB-OD2 3.41Å; S215-D218 PolarHBondContact N-OD2 3.16Å; S215-D218 PolarHBondContact O-N 2.83Å; S215-D218 PolarHBondContact OG-N 3.18Å; S215-D218 PolarHBondContact OG-OD1 2.8Å; S215-D218 PolarHBondContact OG-OD2 2.88Å; S215-V219 PolarHBondContact O-N 3.31Å |
| 216 | F | 88.3 | Confident | 85.7 | Confident | 37 Ų | 37 | 54.8 Ų | 54.8 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 178.4 | -65 | -71.4 | 0 | 0 | 0 | 113.3 | I195 I197 R220 I671 L674 E675 | I195-F216 HydrophobicContact CG2-CE2 4.27Å; I195-F216 HydrophobicContact CG2-CZ 3.61Å; I197-F216 HydrophobicContact CD1-CD1 3.94Å; I197-F216 HydrophobicContact CD1-CE1 3.87Å; I197-F216 HydrophobicContact CD1-CG 4.45Å; I197-F216 HydrophobicContact CD1-CZ 4.33Å; I197-F216 HydrophobicContact CG2-CE1 4.17Å; I197-F216 HydrophobicContact CG2-CZ 4.04Å; F216-R220 WeakPolarHBondContact O-CG 3.49Å; F216-R220 PolarHBondContact O-N 3.03Å; F216-R220 VanDerWaalsContact O-N 3.1Å; F216-I671 HydrophobicContact CD1-CG2 4.49Å; F216-L674 HydrophobicContact CE1-CB 3.59Å; F216-L674 HydrophobicContact CE1-CD1 4.41Å; F216-L674 HydrophobicContact CZ-CB 4.14Å; F216-E675 HydrophobicContact CD1-CG 4.33Å; F216-E675 HydrophobicContact CG-CG 4.47Å |
| 217 | D | 89.2 | Confident | 86.8 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -82.6 | -28.4 | -177 | -57.3 | -41.7 | 0 | 0 | 0 | 111.7 | S215 R220 G221 | S215-D217 PolarHBondContact O-N 2.99Å; D217-R220 WeakPolarHBondContact O-CB 3.42Å; D217-R220 PolarHBondContact O-N 3.13Å; D217-R220 IonicContact OD1-CZ 2.67Å; D217-R220 IonicContact OD1-NH1 3.73Å; D217-R220 PolarHBondContact OD1-NH1 3.24Å; D217-G221 PolarHBondContact O-N 3.3Å |
| 218 | D | 90.2 | Very high | 87.6 | Confident | 72 Ų | 72 | 55.2 Ų | 55.2 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 168.1 | -50.6 | -43.5 | 0 | 0 | 0 | 110.7 | C213 E214 S215 R220 G221 L222 | C213-D218 HydrophobicContact CB-CB 3.65Å; E214-D218 PolarHBondContact N-OD2 2.81Å; E214-D218 VanDerWaalsContact N-OD2 3.14Å; S215-D218 WeakPolarHBondContact CA-OD2 3.35Å; S215-D218 WeakPolarHBondContact CB-OD2 3.41Å; S215-D218 PolarHBondContact N-OD2 3.16Å; S215-D218 PolarHBondContact O-N 2.83Å; S215-D218 PolarHBondContact OG-N 3.18Å; S215-D218 PolarHBondContact OG-OD1 2.8Å; S215-D218 PolarHBondContact OG-OD2 2.88Å; D218-R220 VanDerWaalsContact C-N 3.31Å; D218-R220 PolarHBondContact O-N 2.67Å; D218-G221 PolarHBondContact O-N 2.84Å; D218-L222 PolarHBondContact O-N 3.48Å |
| 219 | V | 89.6 | Confident | 87.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.9 | -30.5 | 178.1 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | I197 L199 C213 S215 L222 I223 L667 I671 | I197-V219 HydrophobicContact CD1-CG2 3.88Å; L199-V219 HydrophobicContact CD2-CG1 3.91Å; L199-V219 HydrophobicContact CD2-CG2 4.2Å; C213-V219 HydrophobicContact CB-CG2 3.51Å; S215-V219 PolarHBondContact O-N 3.31Å; V219-L222 PolarHBondContact O-N 2.92Å; V219-I223 HydrophobicContact CG1-CD1 4.25Å; V219-I223 WeakPolarHBondContact O-CB 3.11Å; V219-I223 WeakPolarHBondContact O-CD1 3.45Å; V219-I223 WeakPolarHBondContact O-CG1 3.26Å; V219-I223 PolarHBondContact O-N 3.16Å; V219-L667 HydrophobicContact CG1-CD2 3.82Å; V219-I671 HydrophobicContact CB-CD1 3.85Å; V219-I671 HydrophobicContact CB-CG1 4.36Å; V219-I671 HydrophobicContact CG1-CD1 3.77Å; V219-I671 HydrophobicContact CG1-CG1 4.18Å |
| 220 | R | 91.8 | Very high | 86.9 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 168.8 | -75.7 | 174 | 166.3 | 108.5 | 10.9 | 111.6 | F216 D217 D218 L222 I223 E224 I671 E675 | F216-R220 WeakPolarHBondContact O-CG 3.49Å; F216-R220 PolarHBondContact O-N 3.03Å; F216-R220 VanDerWaalsContact O-N 3.1Å; D217-R220 WeakPolarHBondContact O-CB 3.42Å; D217-R220 PolarHBondContact O-N 3.13Å; D217-R220 IonicContact OD1-CZ 2.67Å; D217-R220 IonicContact OD1-NH1 3.73Å; D217-R220 PolarHBondContact OD1-NH1 3.24Å; D218-R220 VanDerWaalsContact C-N 3.31Å; D218-R220 PolarHBondContact O-N 2.67Å; R220-L222 PolarHBondContact O-N 3.07Å; R220-I223 WeakPolarHBondContact O-CB 3.45Å; R220-I223 PolarHBondContact O-N 3.33Å; R220-E224 PolarHBondContact O-N 3.5Å; R220-E224 VanDerWaalsContact O-N 3.12Å; R220-I671 HydrophobicContact CG-CD1 4.27Å; R220-E675 IonicContact CZ-OE1 2.69Å; R220-E675 VanDerWaalsContact CZ-OE1 3.26Å; R220-E675 IonicContact NH1-OE1 3.59Å; R220-E675 PolarHBondContact NH1-OE1 2.84Å; R220-E675 IonicContact NH2-OE1 3.15Å; R220-E675 PolarHBondContact NH2-OE1 3.01Å; R220-E675 IonicContact NH2-OE2 2.92Å |
| 221 | G | 90.1 | Very high | 86 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D217 D218 I223 E224 E225 | D217-G221 PolarHBondContact O-N 3.3Å; D218-G221 PolarHBondContact O-N 2.84Å; G221-I223 VanDerWaalsContact C-N 3.33Å; G221-I223 PolarHBondContact O-N 2.99Å; G221-E224 CarbonylContact O-C 3.59Å; G221-E224 WeakPolarHBondContact O-CA 3.35Å; G221-E224 WeakPolarHBondContact O-CB 3.47Å; G221-E224 PolarHBondContact O-N 3.33Å; G221-E225 PolarHBondContact O-N 3Å |
| 222 | L | 89.5 | Confident | 84.7 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 174.9 | -179.1 | 67.7 | 0 | 0 | 0 | 112.8 | Y187 L199 L212 D218 V219 R220 E224 E225 L226 | Y187-L222 HydrophobicContact CD1-CD2 4.35Å; Y187-L222 HydrophobicContact CE1-CD1 4.45Å; Y187-L222 HydrophobicContact CE1-CD2 3.99Å; L199-L222 HydrophobicContact CD2-CD2 3.41Å; L199-L222 VanDerWaalsContact CD2-CD2 3.41Å; L199-L222 HydrophobicContact CG-CD2 4.44Å; L212-L222 HydrophobicContact CD1-CD1 4Å; L212-L222 HydrophobicContact CD1-CD2 3.89Å; D218-L222 PolarHBondContact O-N 3.48Å; V219-L222 PolarHBondContact O-N 2.92Å; R220-L222 PolarHBondContact O-N 3.07Å; L222-E224 PolarHBondContact O-N 2.85Å; L222-E225 PolarHBondContact O-N 3.41Å; L222-L226 HydrophobicContact CD1-CD1 4.38Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.02Å; L222-L226 HydrophobicContact CG-CG 4.35Å; L222-L226 VanDerWaalsContact O-CB 3.28Å; L222-L226 WeakPolarHBondContact O-CB 3.35Å; L222-L226 VanDerWaalsContact O-CG 3.25Å; L222-L226 WeakPolarHBondContact O-CG 3.43Å; L222-L226 PolarHBondContact O-N 3.48Å |
| 223 | I | 90.7 | Very high | 83.4 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.051 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68 | -19.4 | 172.6 | -70.1 | 163.7 | 0 | 0 | 0 | 111.5 | V219 R220 G221 K227 L667 K668 I671 | V219-I223 HydrophobicContact CG1-CD1 4.25Å; V219-I223 WeakPolarHBondContact O-CB 3.11Å; V219-I223 WeakPolarHBondContact O-CD1 3.45Å; V219-I223 WeakPolarHBondContact O-CG1 3.26Å; V219-I223 PolarHBondContact O-N 3.16Å; R220-I223 WeakPolarHBondContact O-CB 3.45Å; R220-I223 PolarHBondContact O-N 3.33Å; G221-I223 VanDerWaalsContact C-N 3.33Å; G221-I223 PolarHBondContact O-N 2.99Å; I223-K227 WeakPolarHBondContact O-CD 3.5Å; I223-K227 WeakPolarHBondContact O-CE 3.42Å; I223-K227 VanDerWaalsContact O-CG 3.23Å; I223-K227 WeakPolarHBondContact O-CG 3.4Å; I223-K227 PolarHBondContact O-NZ 2.86Å; I223-L667 HydrophobicContact CD1-CB 3.72Å; I223-L667 HydrophobicContact CG1-CB 3.7Å; I223-L667 HydrophobicContact CG1-CD1 4.16Å; I223-L667 HydrophobicContact CG1-CG 4.48Å; I223-K668 HydrophobicContact CD1-CG 4.33Å; I223-K668 HydrophobicContact CG2-CG 4.16Å; I223-I671 HydrophobicContact CD1-CD1 3.41Å; I223-I671 VanDerWaalsContact CD1-CD1 3.41Å; I223-I671 HydrophobicContact CD1-CG1 4.49Å |
| 224 | E | 89.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 69.4 Ų | 69.4 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -85.7 | -48.8 | 172.2 | -72.3 | 169.2 | 177.1 | 0 | 0 | 110.6 | R220 G221 L222 L226 K227 E228 | R220-E224 PolarHBondContact O-N 3.5Å; R220-E224 VanDerWaalsContact O-N 3.12Å; G221-E224 CarbonylContact O-C 3.59Å; G221-E224 WeakPolarHBondContact O-CA 3.35Å; G221-E224 WeakPolarHBondContact O-CB 3.47Å; G221-E224 PolarHBondContact O-N 3.33Å; L222-E224 PolarHBondContact O-N 2.85Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.04Å; E224-K227 VanDerWaalsContact CG-NZ 3.32Å; E224-K227 WeakPolarHBondContact O-CB 3.47Å; E224-K227 PolarHBondContact O-N 2.88Å; E224-E228 PolarHBondContact O-N 3.04Å |
| 225 | E | 88.6 | Confident | 81.4 | Confident | 109 Ų | 109 | 71.9 Ų | 71.9 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -51.3 | -47.1 | 171.7 | -173.9 | -171.8 | 167.3 | 0 | 0 | 112.4 | G221 L222 K227 E228 A229 | G221-E225 PolarHBondContact O-N 3Å; L222-E225 PolarHBondContact O-N 3.41Å; E225-K227 VanDerWaalsContact C-N 3.3Å; E225-K227 PolarHBondContact O-N 3.16Å; E225-E228 PolarHBondContact O-N 2.87Å; E225-A229 WeakPolarHBondContact O-CB 3.18Å; E225-A229 PolarHBondContact O-N 2.72Å |
| 226 | L | 88.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -32.8 | 178.5 | -76.4 | 170.2 | 0 | 0 | 0 | 112.9 | D181 L222 E224 H660 L663 I664 L667 | D181-L226 HydrophobicContact CB-CD2 4.39Å; L222-L226 HydrophobicContact CD1-CD1 4.38Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 4.02Å; L222-L226 HydrophobicContact CG-CG 4.35Å; L222-L226 VanDerWaalsContact O-CB 3.28Å; L222-L226 WeakPolarHBondContact O-CB 3.35Å; L222-L226 VanDerWaalsContact O-CG 3.25Å; L222-L226 WeakPolarHBondContact O-CG 3.43Å; L222-L226 PolarHBondContact O-N 3.48Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.04Å; L226-H660 PolarHBondContact O-CE1 3.23Å; L226-H660 PolarHBondContact O-NE2 3.28Å; L226-L663 HydrophobicContact CD1-CD2 4.35Å; L226-I664 HydrophobicContact CB-CD1 4.12Å; L226-I664 HydrophobicContact CB-CG1 4.11Å; L226-L667 HydrophobicContact CD1-CD1 3.65Å |
| 227 | K | 87.9 | Confident | 79 | Confident | 83 Ų | 83 | 71 Ų | 71 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73.9 | -40.7 | 173.3 | -62.8 | 165.6 | -154.4 | 127.2 | 0 | 111.4 | I223 E224 E225 A229 F230 I664 | I223-K227 WeakPolarHBondContact O-CD 3.5Å; I223-K227 WeakPolarHBondContact O-CE 3.42Å; I223-K227 VanDerWaalsContact O-CG 3.23Å; I223-K227 WeakPolarHBondContact O-CG 3.4Å; I223-K227 PolarHBondContact O-NZ 2.86Å; E224-K227 VanDerWaalsContact CG-NZ 3.32Å; E224-K227 WeakPolarHBondContact O-CB 3.47Å; E224-K227 PolarHBondContact O-N 2.88Å; E225-K227 VanDerWaalsContact C-N 3.3Å; E225-K227 PolarHBondContact O-N 3.16Å; K227-A229 VanDerWaalsContact C-N 3.28Å; K227-A229 PolarHBondContact O-N 3.17Å; K227-F230 CarbonylContact O-C 3.58Å; K227-F230 PolarHBondContact O-N 3.04Å; K227-F230 VanDerWaalsContact O-N 3.08Å; K227-I664 HydrophobicContact CG-CD1 4.13Å |
| 228 | E | 83.7 | Confident | 77.8 | Confident | 168 Ų | 168 | 68.1 Ų | 68.1 | 79% | 0.785 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.5 | -32.7 | -179.8 | -69.4 | -175.4 | -179.1 | 0 | 0 | 111.5 | E224 E225 F230 | E224-E228 PolarHBondContact O-N 3.04Å; E225-E228 PolarHBondContact O-N 2.87Å; E228-F230 VanDerWaalsContact C-N 3.25Å; E228-F230 PolarHBondContact O-N 2.87Å |
| 229 | A | 76 | Confident | 76.7 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W183 E225 K227 | W183-A229 HydrophobicContact CH2-CB 3.44Å; W183-A229 VanDerWaalsContact CH2-CB 3.44Å; W183-A229 HydrophobicContact CZ2-CB 3.87Å; W183-A229 HydrophobicContact CZ3-CB 4.35Å; E225-A229 WeakPolarHBondContact O-CB 3.18Å; E225-A229 PolarHBondContact O-N 2.72Å; K227-A229 VanDerWaalsContact C-N 3.28Å; K227-A229 PolarHBondContact O-N 3.17Å |
| 230 | F | 69.7 | Low | 75.6 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | trans | -135.3 | 86 | -179 | -175.5 | -103.3 | 0 | 0 | 0 | 112.4 | V182 K227 E228 E232 I239 R657 H660 | V182-F230 HydrophobicContact CG2-CB 4.09Å; V182-F230 HydrophobicContact CG2-CD2 3.98Å; V182-F230 HydrophobicContact CG2-CG 4.02Å; K227-F230 CarbonylContact O-C 3.58Å; K227-F230 PolarHBondContact O-N 3.04Å; K227-F230 VanDerWaalsContact O-N 3.08Å; E228-F230 VanDerWaalsContact C-N 3.25Å; E228-F230 PolarHBondContact O-N 2.87Å; F230-E232 HydrophobicContact CE1-CG 4.47Å; F230-I239 HydrophobicContact CD2-CD1 3.59Å; F230-I239 HydrophobicContact CE2-CD1 3.72Å; F230-R657 HydrophobicContact CE1-CG 4.47Å; F230-R657 HydrophobicContact CE2-CG 3.92Å; F230-R657 HydrophobicContact CZ-CB 4.35Å; F230-R657 HydrophobicContact CZ-CG 3.64Å; F230-H660 WeakPolarHBondContact CB-NE2 3.49Å; F230-H660 AromaticContact CD1-CD2 3.85Å; F230-H660 AromaticContact CG-CD2 3.94Å | ||
| 231 | S | 66.2 | Low | 74.4 | Confident | 58 Ų | 58 | 66 Ų | 66 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | trans | -66.6 | 133.9 | 159.5 | -180 | 0 | 0 | 0 | 0 | 110.1 | D233 E234 | S231-D233 PolarHBondContact O-N 3.26Å; S231-D233 VanDerWaalsContact O-N 3.14Å; S231-E234 PolarHBondContact O-N 2.84Å | ||
| 232 | E | 62.1 | Low | 73.3 | Confident | 167 Ų | 167 | 69.7 Ų | 69.7 | 78% | 0.78 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.5 | 179.5 | -61 | -177 | 167.5 | 0 | 0 | 112.4 | F230 | F230-E232 HydrophobicContact CE1-CG 4.47Š|
| 233 | D | 58.5 | Low | 72.2 | Confident | 152 Ų | 152 | 70.3 Ų | 70.3 | 81% | 0.813 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.5 | 177 | -67.4 | -46.5 | 0 | 0 | 0 | 114 | S231 K235 | S231-D233 PolarHBondContact O-N 3.26Å; S231-D233 VanDerWaalsContact O-N 3.14Å; D233-K235 PolarHBondContact O-N 3.13Å |
| 234 | E | 65.7 | Low | 70.8 | Confident | 61 Ų | 61 | 75.5 Ų | 75.5 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -75.2 | 123.5 | -178.4 | -86.3 | -145.1 | -166.6 | 0 | 0 | 112.1 | S231 S238 I239 K242 R657 | S231-E234 PolarHBondContact O-N 2.84Å; E234-S238 PolarHBondContact OE2-OG 2.91Å; E234-I239 HydrophobicContact CB-CD1 4.07Å; E234-I239 HydrophobicContact CB-CG1 4.32Å; E234-K242 IonicContact OE1-NZ 2.76Å; E234-K242 PolarHBondContact OE1-NZ 3.44Å; E234-K242 IonicContact OE2-NZ 2.78Å; E234-K242 PolarHBondContact OE2-NZ 2.85Å; E234-R657 PolarHBondContact O-NH2 3.3Å |
| 235 | K | 65.8 | Low | 69.3 | Low | 128 Ų | 128 | 73 Ų | 73 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | trans | -61.6 | 137.9 | 174 | -65 | -176.9 | 179.1 | -176.6 | 0 | 109.9 | D233 E237 S238 I239 F618 | D233-K235 PolarHBondContact O-N 3.13Å; K235-E237 PolarHBondContact O-N 3.45Å; K235-E237 VanDerWaalsContact O-N 3.1Å; K235-S238 PolarHBondContact O-N 3.36Å; K235-S238 PolarHBondContact O-OG 3.18Å; K235-I239 PolarHBondContact O-N 2.86Å; K235-F618 HydrophobicContact CD-CE2 4.36Å; K235-F618 HydrophobicContact CD-CZ 4.14Å | ||
| 236 | L | 63.8 | Low | 67.9 | Low | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.5 | -35.4 | 174.4 | -79.4 | 177.5 | 0 | 0 | 0 | 112.3 | V182 S238 I239 F240 Q615 V616 H636 R657 | V182-L236 HydrophobicContact CG1-CD2 3.83Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 2.8Å; L236-I239 HydrophobicContact CD2-CD1 4.38Å; L236-I239 PolarHBondContact O-N 3.26Å; L236-I239 VanDerWaalsContact O-N 3.15Å; L236-F240 HydrophobicContact CB-CD2 4.09Å; L236-F240 HydrophobicContact CB-CE2 3.98Å; L236-F240 HydrophobicContact CD1-CE2 4.45Å; L236-F240 HydrophobicContact CD2-CE2 4.04Å; L236-F240 HydrophobicContact CG-CE2 4.39Å; L236-F240 WeakPolarHBondContact O-CD2 3.48Å; L236-F240 PolarHBondContact O-N 3.45Å; L236-Q615 HydrophobicContact CD1-CB 4.22Å; L236-V616 HydrophobicContact CB-CG2 4.41Å; L236-V616 HydrophobicContact CD1-CG2 4.35Å; L236-H636 WeakPolarHBondContact CD1-NE2 3.2Å; L236-R657 HydrophobicContact CD1-CG 4.13Å; L236-R657 HydrophobicContact CD2-CG 3.85Å; L236-R657 HydrophobicContact CG-CG 4.06Å |
| 237 | E | 62.7 | Low | 66.5 | Low | 63 Ų | 63 | 73 Ų | 73 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.7 | -35.9 | 176 | -166.4 | -175.8 | -173.3 | 0 | 0 | 113.7 | K235 K241 V616 F618 | K235-E237 PolarHBondContact O-N 3.45Å; K235-E237 VanDerWaalsContact O-N 3.1Å; E237-K241 HydrophobicContact CG-CD 4.17Å; E237-K241 VanDerWaalsContact O-CB 3.28Å; E237-K241 WeakPolarHBondContact O-CB 3.4Å; E237-K241 WeakPolarHBondContact O-CD 3.36Å; E237-K241 WeakPolarHBondContact O-CG 3.45Å; E237-K241 PolarHBondContact O-N 3.19Å; E237-K241 VanDerWaalsContact OE1-CE 3.31Å; E237-K241 WeakPolarHBondContact OE1-CE 3.38Å; E237-K241 IonicContact OE1-NZ 3.54Å; E237-K241 PolarHBondContact OE1-NZ 3.16Å; E237-K241 IonicContact OE2-NZ 2.56Å; E237-V616 WeakPolarHBondContact CB-O 3.22Å; E237-V616 WeakPolarHBondContact CG-O 3.41Å; E237-F618 HydrophobicContact CB-CE2 4.02Å; E237-F618 WeakPolarHBondContact OE2-CE2 3.34Å |
| 238 | S | 64.4 | Low | 65.1 | Low | 44 Ų | 44 | 77.8 Ų | 77.8 | 31% | 0.308 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.5 | -35.3 | 174.7 | 46.8 | 0 | 0 | 0 | 0 | 112 | E234 K235 L236 K241 K242 | E234-S238 PolarHBondContact OE2-OG 2.91Å; K235-S238 PolarHBondContact O-N 3.36Å; K235-S238 PolarHBondContact O-OG 3.18Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 2.8Å; S238-K241 PolarHBondContact O-N 2.93Å; S238-K242 WeakPolarHBondContact O-CG 3.26Å; S238-K242 PolarHBondContact O-N 3.45Å |
| 239 | I | 67.2 | Low | 63.9 | Low | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 177.8 | -61.1 | 156.9 | 0 | 0 | 0 | 110.9 | V182 F230 E234 K235 L236 K241 K242 K243 | V182-I239 HydrophobicContact CG1-CG2 4.02Å; F230-I239 HydrophobicContact CD2-CD1 3.59Å; F230-I239 HydrophobicContact CE2-CD1 3.72Å; E234-I239 HydrophobicContact CB-CD1 4.07Å; E234-I239 HydrophobicContact CB-CG1 4.32Å; K235-I239 PolarHBondContact O-N 2.86Å; L236-I239 HydrophobicContact CD2-CD1 4.38Å; L236-I239 PolarHBondContact O-N 3.26Å; L236-I239 VanDerWaalsContact O-N 3.15Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.31Å; I239-K242 WeakPolarHBondContact O-CB 3.4Å; I239-K242 PolarHBondContact O-N 3.06Å; I239-K243 PolarHBondContact O-N 2.97Å |
| 240 | F | 66.1 | Low | 63 | Low | 9 Ų | 9 | 74.1 Ų | 74.1 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 174.7 | -71.1 | -60.3 | 0 | 0 | 0 | 112.5 | L236 K243 Q244 V616 | L236-F240 HydrophobicContact CB-CD2 4.09Å; L236-F240 HydrophobicContact CB-CE2 3.98Å; L236-F240 HydrophobicContact CD1-CE2 4.45Å; L236-F240 HydrophobicContact CD2-CE2 4.04Å; L236-F240 HydrophobicContact CG-CE2 4.39Å; L236-F240 WeakPolarHBondContact O-CD2 3.48Å; L236-F240 PolarHBondContact O-N 3.45Å; F240-K243 PolarHBondContact O-N 3.11Å; F240-Q244 WeakPolarHBondContact O-CB 3.37Å; F240-Q244 WeakPolarHBondContact O-CG 3.42Å; F240-Q244 PolarHBondContact O-N 3.21Å; F240-V616 HydrophobicContact CD2-CG1 3.8Å; F240-V616 HydrophobicContact CD2-CG2 4.13Å; F240-V616 HydrophobicContact CE2-CG1 4.28Å; F240-V616 HydrophobicContact CE2-CG2 3.82Å |
| 241 | K | 66.9 | Low | 62.6 | Low | 113 Ų | 113 | 78.7 Ų | 78.7 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.3 | -35.4 | 171.4 | -77.1 | 170.8 | -174.1 | 170 | 0 | 113.1 | E237 S238 I239 A245 | E237-K241 HydrophobicContact CG-CD 4.17Å; E237-K241 VanDerWaalsContact O-CB 3.28Å; E237-K241 WeakPolarHBondContact O-CB 3.4Å; E237-K241 WeakPolarHBondContact O-CD 3.36Å; E237-K241 WeakPolarHBondContact O-CG 3.45Å; E237-K241 PolarHBondContact O-N 3.19Å; E237-K241 VanDerWaalsContact OE1-CE 3.31Å; E237-K241 WeakPolarHBondContact OE1-CE 3.38Å; E237-K241 IonicContact OE1-NZ 3.54Å; E237-K241 PolarHBondContact OE1-NZ 3.16Å; E237-K241 IonicContact OE2-NZ 2.56Å; S238-K241 PolarHBondContact O-N 2.93Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.31Å; K241-A245 WeakPolarHBondContact O-CB 3.47Å; K241-A245 PolarHBondContact O-N 2.92Å |
| 242 | K | 67 | Low | 62.5 | Low | 112 Ų | 112 | 82.8 Ų | 82.8 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 170.5 | -73.8 | 167 | 179.8 | 172.8 | 0 | 110.2 | E234 S238 I239 A245 S246 | E234-K242 IonicContact OE1-NZ 2.76Å; E234-K242 PolarHBondContact OE1-NZ 3.44Å; E234-K242 IonicContact OE2-NZ 2.78Å; E234-K242 PolarHBondContact OE2-NZ 2.85Å; S238-K242 WeakPolarHBondContact O-CG 3.26Å; S238-K242 PolarHBondContact O-N 3.45Å; I239-K242 WeakPolarHBondContact O-CB 3.4Å; I239-K242 PolarHBondContact O-N 3.06Å; K242-A245 WeakPolarHBondContact O-CB 3.48Å; K242-A245 PolarHBondContact O-N 2.86Å; K242-A245 VanDerWaalsContact O-N 3.1Å; K242-S246 PolarHBondContact O-N 2.91Å; K242-S246 VanDerWaalsContact O-N 3.09Å |
| 243 | K | 66.2 | Low | 62.8 | Low | 21 Ų | 21 | 79.3 Ų | 79.3 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 177 | -175.5 | 159.7 | 176 | 167.3 | 0 | 112.3 | W183 I239 F240 A245 S246 D247 | W183-K243 HydrophobicContact CB-CD 4.24Å; W183-K243 HydrophobicContact CG-CD 4.46Å; W183-K243 PolarHBondContact O-NZ 2.99Å; I239-K243 PolarHBondContact O-N 2.97Å; F240-K243 PolarHBondContact O-N 3.11Å; K243-A245 PolarHBondContact O-N 3.15Å; K243-S246 WeakPolarHBondContact CA-OG 3.49Å; K243-S246 PolarHBondContact O-N 3.39Å; K243-S246 PolarHBondContact O-OG 2.89Å; K243-D247 PolarHBondContact O-N 3.24Å; K243-D247 VanDerWaalsContact O-OD1 3.05Å |
| 244 | Q | 60.3 | Low | 62.8 | Low | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -19.8 | 175.2 | -71.8 | 178.9 | 17.5 | 0 | 0 | 114.3 | F240 R248 | F240-Q244 WeakPolarHBondContact O-CB 3.37Å; F240-Q244 WeakPolarHBondContact O-CG 3.42Å; F240-Q244 PolarHBondContact O-N 3.21Å; Q244-R248 WeakPolarHBondContact O-CB 3.39Å; Q244-R248 WeakPolarHBondContact O-CD 3.45Å; Q244-R248 VanDerWaalsContact O-CG 3.24Å; Q244-R248 WeakPolarHBondContact O-CG 3.47Å; Q244-R248 PolarHBondContact O-N 2.84Å |
| 245 | A | 59 | Low | 62.8 | Low | 60 Ų | 60 | 79.9 Ų | 79.9 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -79.8 | -43.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | K241 K242 K243 R248 S249 | K241-A245 WeakPolarHBondContact O-CB 3.47Å; K241-A245 PolarHBondContact O-N 2.92Å; K242-A245 WeakPolarHBondContact O-CB 3.48Å; K242-A245 PolarHBondContact O-N 2.86Å; K242-A245 VanDerWaalsContact O-N 3.1Å; K243-A245 PolarHBondContact O-N 3.15Å; A245-R248 CarbonylContact O-C 3.08Å; A245-R248 PolarHBondContact O-N 3.33Å; A245-S249 PolarHBondContact O-N 2.56Å |
| 246 | S | 59.2 | Low | 63.1 | Low | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.8 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | K242 K243 R248 S249 N250 | K242-S246 PolarHBondContact O-N 2.91Å; K242-S246 VanDerWaalsContact O-N 3.09Å; K243-S246 WeakPolarHBondContact CA-OG 3.49Å; K243-S246 PolarHBondContact O-N 3.39Å; K243-S246 PolarHBondContact O-OG 2.89Å; S246-R248 PolarHBondContact O-N 3.49Å; S246-S249 WeakPolarHBondContact CA-OG 3.48Å; S246-S249 PolarHBondContact O-N 2.78Å; S246-S249 VanDerWaalsContact O-N 3.09Å; S246-S249 PolarHBondContact O-OG 2.76Å; S246-N250 VanDerWaalsContact O-CG 3.31Å; S246-N250 PolarHBondContact O-N 2.98Å; S246-N250 PolarHBondContact O-OD1 3.49Å |
| 247 | D | 58.8 | Low | 63.4 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 32% | 0.321 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -35 | 177 | -53 | -13.3 | 0 | 0 | 0 | 110.2 | K243 L251 | K243-D247 PolarHBondContact O-N 3.24Å; K243-D247 VanDerWaalsContact O-OD1 3.05Å; D247-L251 WeakPolarHBondContact O-CB 3.3Å; D247-L251 VanDerWaalsContact O-CG 3.28Å; D247-L251 WeakPolarHBondContact O-CG 3.4Å; D247-L251 PolarHBondContact O-N 3.32Å |
| 248 | R | 58 | Low | 63.8 | Low | 185 Ų | 185 | 80.9 Ų | 80.9 | 70% | 0.698 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -79.7 | -20.9 | 176.4 | -81.1 | 179.6 | 159.3 | -161.2 | -5.9 | 115 | Q244 A245 S246 K252 | Q244-R248 WeakPolarHBondContact O-CB 3.39Å; Q244-R248 WeakPolarHBondContact O-CD 3.45Å; Q244-R248 VanDerWaalsContact O-CG 3.24Å; Q244-R248 WeakPolarHBondContact O-CG 3.47Å; Q244-R248 PolarHBondContact O-N 2.84Å; A245-R248 CarbonylContact O-C 3.08Å; A245-R248 PolarHBondContact O-N 3.33Å; S246-R248 PolarHBondContact O-N 3.49Å; R248-K252 WeakPolarHBondContact O-CD 3.47Å; R248-K252 VanDerWaalsContact O-CG 3.24Å; R248-K252 WeakPolarHBondContact O-CG 3.34Å |
| 249 | S | 57.8 | Low | 64.3 | Low | 48 Ų | 48 | 81.8 Ų | 81.8 | 34% | 0.336 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -77 | -47.8 | 165.3 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | A245 S246 L251 K252 D253 | A245-S249 PolarHBondContact O-N 2.56Å; S246-S249 WeakPolarHBondContact CA-OG 3.48Å; S246-S249 PolarHBondContact O-N 2.78Å; S246-S249 VanDerWaalsContact O-N 3.09Å; S246-S249 PolarHBondContact O-OG 2.76Å; S249-L251 VanDerWaalsContact C-N 3.32Å; S249-L251 PolarHBondContact O-N 3.44Å; S249-K252 CarbonylContact O-C 3.59Å; S249-K252 WeakPolarHBondContact O-CA 3.44Å; S249-K252 WeakPolarHBondContact O-CB 3.2Å; S249-K252 PolarHBondContact O-N 2.82Å; S249-D253 PolarHBondContact O-N 2.9Å |
| 250 | N | 57.3 | Low | 64.5 | Low | 74 Ų | 74 | 89.4 Ų | 89.4 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | -179.9 | -65.8 | 6 | 0 | 0 | 0 | 111.2 | S246 K252 D253 H254 | S246-N250 VanDerWaalsContact O-CG 3.31Å; S246-N250 PolarHBondContact O-N 2.98Å; S246-N250 PolarHBondContact O-OD1 3.49Å; N250-K252 VanDerWaalsContact C-N 3.34Å; N250-K252 PolarHBondContact O-N 3.25Å; N250-D253 PolarHBondContact O-N 3.47Å; N250-H254 WeakPolarHBondContact O-CB 3.37Å; N250-H254 PolarHBondContact O-CD2 3.49Å; N250-H254 PolarHBondContact O-N 3.36Å |
| 251 | L | 60.7 | Low | 64.8 | Low | 123 Ų | 123 | 95.1 Ų | 95.1 | 64% | 0.644 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.3 | -34.3 | 174.2 | -77.9 | 168.9 | 0 | 0 | 0 | 113.7 | D247 S249 L255 | D247-L251 WeakPolarHBondContact O-CB 3.3Å; D247-L251 VanDerWaalsContact O-CG 3.28Å; D247-L251 WeakPolarHBondContact O-CG 3.4Å; D247-L251 PolarHBondContact O-N 3.32Å; S249-L251 VanDerWaalsContact C-N 3.32Å; S249-L251 PolarHBondContact O-N 3.44Å; L251-L255 VanDerWaalsContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; L251-L255 PolarHBondContact O-N 2.73Å |
| 252 | K | 65.8 | Low | 64.4 | Low | 145 Ų | 145 | 92.8 Ų | 92.8 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.6 | -40.1 | 175 | -78.5 | 173.2 | -178.2 | 177.2 | 0 | 111.9 | R248 S249 N250 L255 A256 | R248-K252 WeakPolarHBondContact O-CD 3.47Å; R248-K252 VanDerWaalsContact O-CG 3.24Å; R248-K252 WeakPolarHBondContact O-CG 3.34Å; S249-K252 CarbonylContact O-C 3.59Å; S249-K252 WeakPolarHBondContact O-CA 3.44Å; S249-K252 WeakPolarHBondContact O-CB 3.2Å; S249-K252 PolarHBondContact O-N 2.82Å; N250-K252 VanDerWaalsContact C-N 3.34Å; N250-K252 PolarHBondContact O-N 3.25Å; K252-L255 PolarHBondContact O-N 3.43Å; K252-A256 VanDerWaalsContact O-CB 3.31Å; K252-A256 WeakPolarHBondContact O-CB 3.4Å; K252-A256 PolarHBondContact O-N 2.97Å |
| 253 | D | 67.7 | Low | 64.3 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | -179.5 | -64.2 | -20.3 | 0 | 0 | 0 | 110.2 | S249 N250 A256 N257 | S249-D253 PolarHBondContact O-N 2.9Å; N250-D253 PolarHBondContact O-N 3.47Å; D253-A256 PolarHBondContact O-N 3.11Å; D253-N257 WeakPolarHBondContact O-CB 3.5Å; D253-N257 PolarHBondContact O-N 3.45Å; D253-N257 PolarHBondContact O-ND2 3.08Å |
| 254 | H | 58.6 | Low | 63.6 | Low | 124 Ų | 124 | 93.5 Ų | 93.5 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 167.2 | -82 | -66.9 | 0 | 0 | 0 | 112.5 | N250 N257 L258 | N250-H254 WeakPolarHBondContact O-CB 3.37Å; N250-H254 PolarHBondContact O-CD2 3.49Å; N250-H254 PolarHBondContact O-N 3.36Å; H254-N257 PolarHBondContact O-N 2.9Å; H254-L258 WeakPolarHBondContact O-CB 3.37Å; H254-L258 VanDerWaalsContact O-CG 3.26Å; H254-L258 WeakPolarHBondContact O-CG 3.43Å; H254-L258 PolarHBondContact O-N 2.89Å |
| 255 | L | 66 | Low | 63.2 | Low | 101 Ų | 101 | 92.5 Ų | 92.5 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 175.7 | -167.3 | 103.6 | 0 | 0 | 0 | 111.8 | L251 K252 L258 I259 | L251-L255 VanDerWaalsContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; L251-L255 PolarHBondContact O-N 2.73Å; K252-L255 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.31Å; L255-I259 HydrophobicContact CD2-CD1 3.94Å; L255-I259 HydrophobicContact CG-CD1 4.18Å; L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.43Å; L255-I259 PolarHBondContact O-N 3.48Å |
| 256 | A | 71.3 | Confident | 63 | Low | 46 Ų | 46 | 94.3 Ų | 94.3 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K252 D253 I259 Q260 | K252-A256 VanDerWaalsContact O-CB 3.31Å; K252-A256 WeakPolarHBondContact O-CB 3.4Å; K252-A256 PolarHBondContact O-N 2.97Å; D253-A256 PolarHBondContact O-N 3.11Å; A256-I259 PolarHBondContact O-N 3.44Å; A256-Q260 VanDerWaalsContact O-CB 3.29Å; A256-Q260 WeakPolarHBondContact O-CB 3.5Å; A256-Q260 PolarHBondContact O-N 3.38Å |
| 257 | N | 70.5 | Confident | 62.6 | Low | 88 Ų | 88 | 100.2 Ų | 100.2 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 173 | -70.2 | -35.9 | 0 | 0 | 0 | 111.4 | D253 H254 I259 Q260 D261 | D253-N257 WeakPolarHBondContact O-CB 3.5Å; D253-N257 PolarHBondContact O-N 3.45Å; D253-N257 PolarHBondContact O-ND2 3.08Å; H254-N257 PolarHBondContact O-N 2.9Å; N257-I259 VanDerWaalsContact C-N 3.3Å; N257-I259 PolarHBondContact O-N 3Å; N257-Q260 PolarHBondContact O-N 2.91Å; N257-Q260 VanDerWaalsContact O-N 3.11Å; N257-D261 WeakPolarHBondContact O-CB 3.24Å; N257-D261 PolarHBondContact O-N 2.9Å |
| 258 | L | 71.1 | Confident | 61.7 | Low | 80 Ų | 80 | 104.6 Ų | 104.6 | 42% | 0.419 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -33 | 176 | -75.3 | 164.6 | 0 | 0 | 0 | 113.3 | H254 L255 V263 A264 | H254-L258 WeakPolarHBondContact O-CB 3.37Å; H254-L258 VanDerWaalsContact O-CG 3.26Å; H254-L258 WeakPolarHBondContact O-CG 3.43Å; H254-L258 PolarHBondContact O-N 2.89Å; L255-L258 PolarHBondContact O-N 3.31Å; L258-V263 HydrophobicContact CD2-CB 4.03Å; L258-V263 HydrophobicContact CD2-CG1 3.99Å; L258-V263 WeakPolarHBondContact O-CA 3.5Å; L258-V263 PolarHBondContact O-N 3.14Å; L258-A264 HydrophobicContact CB-CB 4.19Å; L258-A264 PolarHBondContact O-N 3.3Å |
| 259 | I | 75.3 | Confident | 60.5 | Low | 63 Ų | 63 | 104.1 Ų | 104.1 | 32% | 0.323 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.2 | -41.5 | 171.8 | -69.1 | 164.3 | 0 | 0 | 0 | 110.5 | L255 A256 N257 G262 A264 P266 | L255-I259 HydrophobicContact CD2-CD1 3.94Å; L255-I259 HydrophobicContact CG-CD1 4.18Å; L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.43Å; L255-I259 PolarHBondContact O-N 3.48Å; A256-I259 PolarHBondContact O-N 3.44Å; N257-I259 VanDerWaalsContact C-N 3.3Å; N257-I259 PolarHBondContact O-N 3Å; I259-G262 PolarHBondContact O-N 3.37Å; I259-G262 VanDerWaalsContact O-N 3.1Å; I259-A264 HydrophobicContact CG1-CB 3.98Å; I259-P266 HydrophobicContact CG2-CG 4.32Å |
| 260 | Q | 71.1 | Confident | 59.5 | Low | 164 Ų | 164 | 108.5 Ų | 108.5 | 77% | 0.766 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.2 | -32.6 | -177.5 | -174.1 | 163.9 | -27.8 | 0 | 0 | 113.3 | A256 N257 G262 | A256-Q260 VanDerWaalsContact O-CB 3.29Å; A256-Q260 WeakPolarHBondContact O-CB 3.5Å; A256-Q260 PolarHBondContact O-N 3.38Å; N257-Q260 PolarHBondContact O-N 2.91Å; N257-Q260 VanDerWaalsContact O-N 3.11Å; Q260-G262 PolarHBondContact O-N 3.47Å |
| 261 | D | 72.9 | Confident | 58.5 | Low | 129 Ų | 129 | 109.2 Ų | 109.2 | 69% | 0.69 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -1.2 | 169.7 | -71.8 | -27.3 | 0 | 0 | 0 | 112.6 | N257 V263 | N257-D261 WeakPolarHBondContact O-CB 3.24Å; N257-D261 PolarHBondContact O-N 2.9Å; D261-V263 VanDerWaalsContact C-N 3.27Å; D261-V263 HydrophobicContact CB-CG2 4.06Å; D261-V263 PolarHBondContact O-N 2.98Å |
| 262 | G | 57.8 | Low | 57.3 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 66% | 0.66 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | 15.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I259 Q260 | I259-G262 PolarHBondContact O-N 3.37Å; I259-G262 VanDerWaalsContact O-N 3.1Å; Q260-G262 PolarHBondContact O-N 3.47Å |
| 263 | V | 65 | Low | 55.8 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 67% | 0.673 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -82.1 | -30.6 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | L258 D261 | L258-V263 HydrophobicContact CD2-CB 4.03Å; L258-V263 HydrophobicContact CD2-CG1 3.99Å; L258-V263 WeakPolarHBondContact O-CA 3.5Å; L258-V263 PolarHBondContact O-N 3.14Å; D261-V263 VanDerWaalsContact C-N 3.27Å; D261-V263 HydrophobicContact CB-CG2 4.06Å; D261-V263 PolarHBondContact O-N 2.98Å |
| 264 | A | 51.6 | Low | 54.3 | Low | 36 Ų | 36 | 115.7 Ų | 115.7 | 30% | 0.298 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -116.3 | 141.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L258 I259 | L258-A264 HydrophobicContact CB-CB 4.19Å; L258-A264 PolarHBondContact O-N 3.3Å; I259-A264 HydrophobicContact CG1-CB 3.98Å |
| 265 | S | 52.2 | Low | 53.2 | Low | 98 Ų | 98 | 118.1 Ų | 118.1 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | trans | -87.8 | 146.1 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 112 | E267 | S265-E267 PolarHBondContact O-N 3.32Å; S265-E267 VanDerWaalsContact O-N 3.11Å | ||
| 266 | P | 55.1 | Low | 51.7 | Low | 97 Ų | 97 | 119.3 Ų | 119.3 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -72.1 | -0 | -173.6 | -20 | 33.8 | 0 | 0 | 0 | 116.9 | I259 L268 | I259-P266 HydrophobicContact CG2-CG 4.32Å; P266-L268 VanDerWaalsContact C-N 3.28Å; P266-L268 PolarHBondContact O-N 3.21Å; P266-L268 VanDerWaalsContact O-N 3.09Å |
| 267 | E | 50.3 | Low | 50.1 | Low | 176 Ų | 176 | 122.7 Ų | 122.7 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 28.6 | -162.9 | -62.3 | -171.2 | 122.4 | 0 | 0 | 115.5 | S265 | S265-E267 PolarHBondContact O-N 3.32Å; S265-E267 VanDerWaalsContact O-N 3.11Å |
| 268 | L | 39.9 | Very low | 48.2 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 24.2 | 175.2 | -68.7 | 179.4 | 0 | 0 | 0 | 114.5 | P266 I270 | P266-L268 VanDerWaalsContact C-N 3.28Å; P266-L268 PolarHBondContact O-N 3.21Å; P266-L268 VanDerWaalsContact O-N 3.09Å; L268-I270 PolarHBondContact O-N 3.08Å |
| 269 | E | 33.6 | Very low | 46.4 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -75.2 | 68.7 | 162.2 | -81.4 | -87.2 | 145.7 | 0 | 0 | 110.8 | S271 | E269-S271 PolarHBondContact O-N 2.94Š| ||
| 270 | I | 36.9 | Very low | 44 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | trans | -78.3 | 90.5 | 173 | -59.6 | -177.4 | 0 | 0 | 0 | 109.7 | L268 | L268-I270 PolarHBondContact O-N 3.08Š| ||
| 271 | S | 36.3 | Very low | 42.3 | Very low | 89 Ų | 89 | 128.9 Ų | 128.9 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | 26.3 | 101.3 | 153.4 | 60.8 | 0 | 0 | 0 | 0 | 117.6 | E269 N273 | E269-S271 PolarHBondContact O-N 2.94Å; S271-N273 PolarHBondContact O-N 3.41Å | ||
| 272 | K | 34.3 | Very low | 40.3 | Very low | 194 Ų | 194 | 129.8 Ų | 129.8 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -67 | 122 | 149.3 | -61.6 | 162.9 | -172.1 | 145.3 | 0 | 108.1 | ||||
| 273 | N | 34.8 | Very low | 39.1 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -167.9 | 171.1 | 160.1 | -92.9 | -24.4 | 0 | 0 | 0 | 108.4 | S271 | S271-N273 PolarHBondContact O-N 3.41Š| ||
| 274 | D | 36.4 | Very low | 37.5 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | trans | 65.5 | 72.1 | 169.4 | -51 | -16.2 | 0 | 0 | 0 | 115.7 | ||||
| 275 | E | 35.2 | Very low | 36.9 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -73.1 | -179.7 | 146.2 | -58.9 | -155.6 | 125.7 | 0 | 0 | 110.2 | ||||
| 276 | D | 34.6 | Very low | 36.1 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | 61.5 | 79.1 | 174.4 | -67.6 | -24.8 | 0 | 0 | 0 | 118.2 | H1171 | D276-H1171 IonicContact OD2-CE1 3.82Å; D276-H1171 PolarHBondContact OD2-CE1 3.48Å; D276-H1171 VanDerWaalsContact OD2-CE1 3.26Å; D276-H1171 IonicContact OD2-ND1 2.73Å | ||
| 277 | S | 36.6 | Very low | 35.2 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -148.2 | 106.4 | 147.5 | 49.4 | 0 | 0 | 0 | 0 | 114 | I279 | S277-I279 PolarHBondContact O-N 3.14Š| ||
| 278 | V | 31.2 | Very low | 34.2 | Very low | 149 Ų | 149 | 139 Ų | 139 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -88.7 | 102.7 | 178 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 279 | I | 33.8 | Very low | 34 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -135.4 | 115 | 167.6 | -54.4 | -178.3 | 0 | 0 | 0 | 112.8 | S277 | S277-I279 PolarHBondContact O-N 3.14Š| ||
| 280 | S | 25.6 | Very low | 33.8 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -125 | 169.5 | 143.3 | -72.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 281 | P | 34.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | cis | -140 | -150.2 | 14.4 | 26.5 | 1.9 | 0 | 0 | 0 | 113.5 | ||||
| 282 | L | 31.2 | Very low | 33.6 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | 96.7 | 77.6 | 151.9 | -58.9 | 166.7 | 0 | 0 | 0 | 121.8 | ||||
| 283 | S | 33.5 | Very low | 33.7 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | 28.3 | 116.7 | 119.8 | 62.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 284 | H | 30.7 | Very low | 33.8 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 63.8 | 170.7 | 136.1 | -58.9 | -48.5 | 0 | 0 | 0 | 120 | ||||
| 285 | P | 38.5 | Very low | 34.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | cis | -133.3 | 163.3 | -1.3 | 40 | -22.7 | 0 | 0 | 0 | 118.1 | ||||
| 286 | N | 34.8 | Very low | 35 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 36.5 | 118.4 | 141.8 | -56.9 | -24.3 | 0 | 0 | 0 | 123.3 | ||||
| 287 | V | 37.3 | Very low | 35.3 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 93% | 0.927 | 78% | 0.782 | S | S | * | * | trans | -137.1 | 151.1 | 135.3 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 288 | C | 28.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -139.3 | 137.9 | -168.4 | 173.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 289 | L | 34.8 | Very low | 35.9 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -142.8 | 147.2 | 163.8 | -71.6 | 177.9 | 0 | 0 | 0 | 110.7 | ||||
| 290 | K | 30.6 | Very low | 35.9 | Very low | 187 Ų | 187 | 130.4 Ų | 130.4 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -127.7 | 154.2 | 176.8 | -60.5 | -177.3 | 176 | -176.8 | 0 | 109.1 | ||||
| 291 | P | 37.6 | Very low | 36.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | -135.4 | 161.9 | 78.9 | 29.7 | -10.5 | 0 | 0 | 0 | 112.5 | |||||
| 292 | A | 30.8 | Very low | 36 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | 82.8 | 109.5 | 29.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 293 | I | 36.4 | Very low | 36.1 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 154.6 | 134 | 137.1 | -79.8 | 158.7 | 0 | 0 | 0 | 112.9 | ||||
| 294 | T | 36.4 | Very low | 36 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | 55.7 | 127.7 | 168.7 | 48.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 295 | P | 42.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 160 | 161 | 38 | -33 | 0 | 0 | 0 | 113.1 | ||
| 296 | P | 55.1 | Low | 35.6 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 158.4 | 166.5 | 34.2 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 297 | P | 40.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 154.8 | -172.6 | 34 | -36.6 | 0 | 0 | 0 | 114.5 | ||
| 298 | T | 35.4 | Very low | 35.3 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 138.7 | 167 | 39.9 | 0 | 0 | 0 | 0 | 112 | ||
| 299 | P | 44.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 136.8 | 151.1 | 33.6 | -28.1 | 0 | 0 | 0 | 109.9 | ||
| 300 | T | 34.8 | Very low | 35.8 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -96.7 | -175.9 | 175.4 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 301 | C | 31 | Very low | 35.8 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | 82.5 | 89 | 167.6 | -154.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 302 | D | 31.8 | Very low | 35.8 | Very low | 137 Ų | 137 | 132.5 Ų | 132.5 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | 49.7 | 109.6 | 120.5 | -44.1 | -29.7 | 0 | 0 | 0 | 119.9 | |||||
| 303 | Q | 33.2 | Very low | 36.2 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | 170.7 | 113.3 | 116.5 | -91.5 | 168.5 | 34.5 | 0 | 0 | 109.4 | |||||
| 304 | K | 31.5 | Very low | 36.2 | Very low | 205 Ų | 205 | 134 Ų | 134 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | -145.9 | 130.8 | 169.9 | -131.4 | -175.7 | 177.4 | -165.6 | 0 | 108.7 | ||||
| 305 | P | 31.7 | Very low | 36.1 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | trans | -75 | 147 | -172.1 | 30.2 | -35.6 | 0 | 0 | 0 | 112.1 | I307 | P305-I307 PolarHBondContact O-N 3.28Š| ||
| 306 | T | 29 | Very low | 35.8 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -59.7 | 128.1 | 162.5 | -13.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 307 | I | 33.5 | Very low | 34.9 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | trans | -127.2 | 98.7 | 171.2 | -60 | 179.2 | 0 | 0 | 0 | 107 | P305 S309 | P305-I307 PolarHBondContact O-N 3.28Å; I307-S309 PolarHBondContact O-N 3.05Å | ||
| 308 | H | 30.7 | Very low | 34.6 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | -75.6 | 109.4 | 163.5 | -86 | -87.1 | 0 | 0 | 0 | 108.7 | ||||
| 309 | S | 39.6 | Very low | 34.6 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 55% | 0.545 | 75% | 0.745 | S | S | . | * | trans | -159.4 | 115.8 | 157.4 | 56.7 | 0 | 0 | 0 | 0 | 109.8 | I307 D311 | I307-S309 PolarHBondContact O-N 3.05Å; S309-D311 PolarHBondContact O-N 2.8Å | ||
| 310 | V | 34.4 | Very low | 34.1 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | -70.7 | 94.1 | 166 | 176.6 | 0 | 0 | 0 | 0 | 107.4 | R174 | R174-V310 PolarHBondContact NH1-O 3.48Å; R174-V310 VanDerWaalsContact NH1-O 3.09Å | ||
| 311 | D | 32.6 | Very low | 34 | Very low | 99 Ų | 99 | 140 Ų | 140 | 53% | 0.529 | 75% | 0.747 | S | S | . | * | trans | -170.6 | 78.9 | 167 | -74.1 | -44 | 0 | 0 | 0 | 111.4 | R174 S309 | R174-D311 IonicContact CZ-OD2 3.33Å; R174-D311 IonicContact NH1-OD1 3.28Å; R174-D311 PolarHBondContact NH1-OD1 3.48Å; R174-D311 VanDerWaalsContact NH1-OD1 3.15Å; R174-D311 IonicContact NH1-OD2 2.73Å; R174-D311 PolarHBondContact NH1-OD2 3.09Å; R174-D311 IonicContact NH2-OD1 2.72Å; R174-D311 IonicContact NH2-OD2 3.02Å; R174-D311 PolarHBondContact NH2-OD2 2.96Å; S309-D311 PolarHBondContact O-N 2.8Å | ||
| 312 | M | 35.8 | Very low | 34 | Very low | 166 Ų | 166 | 140 Ų | 140 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -159.4 | 42.2 | 167.2 | -146.6 | -172.7 | -64.2 | 0 | 0 | 117.2 | ||||
| 313 | L | 39.7 | Very low | 34 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -116.6 | 7.1 | 177.1 | -80.7 | 176.4 | 0 | 0 | 0 | 116.6 | I647 | L313-I647 HydrophobicContact CD2-CD1 4.19Š|
| 314 | L | 37 | Very low | 34.1 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 71% | 0.707 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105.1 | 14.7 | 176.8 | -86.8 | 161.7 | 0 | 0 | 0 | 114.7 | P1269 | L314-P1269 HydrophobicContact CD1-CB 4.1Å; L314-P1269 HydrophobicContact CD1-CG 3.91Å |
| 315 | A | 34.3 | Very low | 34 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -104.6 | 4.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 316 | I | 36.2 | Very low | 34 | Very low | 121 Ų | 121 | 139 Ų | 139 | 62% | 0.621 | 75% | 0.748 | S | S | * | * | trans | -111.4 | -21.3 | -165.5 | -63.4 | -179.4 | 0 | 0 | 0 | 114.3 | K318 | I316-K318 PolarHBondContact O-N 2.92Š| ||
| 317 | S | 34.9 | Very low | 34.4 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -76.2 | 31.9 | -174.9 | -51 | 0 | 0 | 0 | 0 | 115.9 | ||
| 318 | K | 35.5 | Very low | 34.3 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -131.8 | 56.1 | 175.2 | -71.3 | -163.6 | 175.8 | -170.5 | 0 | 112.7 | I316 | I316-K318 PolarHBondContact O-N 2.92Š| ||
| 319 | I | 35.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -132.9 | 73.8 | 166.6 | -49.4 | -179.1 | 0 | 0 | 0 | 109.5 | ||||
| 320 | E | 33.9 | Very low | 33.8 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -76.8 | 134.9 | 162.1 | -72.6 | -152.9 | 135.8 | 0 | 0 | 110.6 | S322 | E320-S322 PolarHBondContact O-N 2.9Š| ||
| 321 | H | 32 | Very low | 33.9 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -80.3 | 88.2 | -174.2 | -81.2 | -112.6 | 0 | 0 | 0 | 111.8 | V323 | H321-V323 VanDerWaalsContact C-N 3.31Å; H321-V323 PolarHBondContact O-N 2.83Å | ||
| 322 | S | 31.5 | Very low | 33.8 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -68.3 | 86.8 | 168.5 | -169.7 | 0 | 0 | 0 | 0 | 111.2 | E320 K324 | E320-S322 PolarHBondContact O-N 2.9Å; S322-K324 PolarHBondContact O-N 2.72Å; S322-K324 VanDerWaalsContact O-N 3.16Å | ||
| 323 | V | 33 | Very low | 33.6 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | -70.4 | 104.1 | 170.2 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | H321 | H321-V323 VanDerWaalsContact C-N 3.31Å; H321-V323 PolarHBondContact O-N 2.83Å | ||
| 324 | K | 33.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -94 | 118.9 | 169.5 | -73 | -175 | 177.9 | 178.8 | 0 | 110.5 | S322 | S322-K324 PolarHBondContact O-N 2.72Å; S322-K324 VanDerWaalsContact O-N 3.16Å | ||
| 325 | P | 30.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -80.1 | 125.8 | 163.9 | 32.2 | -30.2 | 0 | 0 | 0 | 109.5 | ||||
| 326 | E | 31.5 | Very low | 33.1 | Very low | 201 Ų | 201 | 144.3 Ų | 144.3 | 94% | 0.939 | 78% | 0.778 | S | S | * | * | trans | -159.7 | 160.7 | 148 | -119.4 | 165 | -160.8 | 0 | 0 | 111.1 | ||||
| 327 | S | 36.2 | Very low | 32.9 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -89.8 | 135.7 | -153.5 | 56.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 328 | Q | 32.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 57.4 | 137.3 | 140.5 | -83.6 | 168.7 | -93 | 0 | 0 | 122.3 | ||||
| 329 | E | 30.4 | Very low | 32.9 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 102.6 | 141.4 | -72.8 | 167.3 | -143.4 | 0 | 0 | 120.6 | ||||
| 330 | N | 30.2 | Very low | 33 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -157.1 | 86.6 | 143.1 | -113.7 | -52.7 | 0 | 0 | 0 | 112.3 | ||||
| 331 | V | 35.4 | Very low | 33.1 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -151.7 | 110 | 139.6 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 332 | G | 30 | Very low | 33.2 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -92.3 | 133.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 333 | L | 32 | Very low | 33.3 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -141.2 | 137.6 | 161.3 | -73.5 | 178.7 | 0 | 0 | 0 | 108.3 | ||||
| 334 | S | 32.6 | Very low | 33.6 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 62.7 | 152 | -171.8 | 78.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 335 | E | 34.1 | Very low | 33.8 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | cis | -156.6 | 156.6 | -30.3 | -120.1 | 163.4 | 173 | 0 | 0 | 108.5 | ||||
| 336 | E | 34.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | 49 | 121.3 | 157.3 | -58.8 | -131.5 | 116.6 | 0 | 0 | 123 | ||||
| 337 | M | 32.2 | Very low | 34.5 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 83.3 | 120.4 | 133.9 | -70.5 | -164.8 | -157.9 | 0 | 0 | 124.6 | ||||
| 338 | V | 33.1 | Very low | 34.6 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | 86.4 | 106.5 | 131.2 | 175.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 339 | S | 36.5 | Very low | 34.8 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 48.7 | 152.5 | 132.9 | -67.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 340 | S | 37.1 | Very low | 34.7 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | cis | -177.2 | 166 | -13.7 | -89.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 341 | N | 36.6 | Very low | 34.9 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 75.2 | 156.1 | 159.2 | -62 | -44.6 | 0 | 0 | 0 | 118.9 | ||||
| 342 | R | 33.4 | Very low | 34.7 | Very low | 234 Ų | 234 | 140 Ų | 140 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | cis | -172.9 | 157.6 | -27.5 | -108.9 | 175.3 | -170.1 | -142.3 | -1.9 | 109.7 | ||||
| 343 | G | 35 | Very low | 34.8 | Very low | 73 Ų | 73 | 145 Ų | 145 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 111.8 | 116.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 344 | K | 38.1 | Very low | 34.8 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | cis | 88.1 | 99.7 | 7.9 | -158.8 | -157 | 175.1 | -169 | 0 | 118.3 | ||||
| 345 | T | 37.8 | Very low | 34.7 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -164.2 | 130.9 | 132.5 | 37.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 346 | D | 37.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 60% | 0.604 | 75% | 0.752 | S | S | * | * | 68.7 | 138.7 | 71.5 | -45.9 | -36 | 0 | 0 | 0 | 111.1 | |||||
| 347 | D | 40 | Very low | 34.5 | Very low | 134 Ų | 134 | 146 Ų | 146 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | cis | -154.6 | -179.7 | 15.7 | -145.2 | -15.4 | 0 | 0 | 0 | 115.3 | ||||
| 348 | Q | 38.6 | Very low | 34.5 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -78.2 | 162.1 | -170.8 | -56.4 | 147 | 72.1 | 0 | 0 | 115.1 | ||||
| 349 | N | 34.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | -166.9 | 135.2 | 117.4 | -105.9 | -58.5 | 0 | 0 | 0 | 115.1 | |||||
| 350 | R | 28.8 | Very low | 34.2 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -105.1 | 145.4 | 154.7 | -82.5 | 173.4 | 159.9 | 162.3 | -7.1 | 107.3 | ||||
| 351 | N | 34.2 | Very low | 34 | Very low | 146 Ų | 146 | 153 Ų | 153 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 178.6 | 124.1 | 136.3 | -90.2 | -26.1 | 0 | 0 | 0 | 109.6 | ||||
| 352 | V | 30.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 152 Ų | 152 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | 62.6 | 97.2 | 91.7 | -178.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 353 | I | 34 | Very low | 33.5 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -131.3 | 151.8 | 139.3 | -67.2 | -171.3 | 0 | 0 | 0 | 106.8 | ||||
| 354 | H | 31.6 | Very low | 33.3 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -119.4 | 169 | -167.8 | -156.2 | -120.6 | 0 | 0 | 0 | 110.4 | ||||
| 355 | E | 30 | Very low | 33.1 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 71% | 0.71 | 79% | 0.785 | S | S | * | * | trans | 79.4 | 158.9 | 145 | -121.8 | 158.6 | -101.6 | 0 | 0 | 122 | ||||
| 356 | I | 34.3 | Very low | 32.7 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 79 | 84.8 | 162.6 | -56.8 | 158.4 | 0 | 0 | 0 | 118 | ||||
| 357 | E | 29.5 | Very low | 32.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -4.2 | 138.5 | 130 | -49.8 | 177.6 | 140.2 | 0 | 0 | 118.9 | ||||
| 358 | V | 33.9 | Very low | 32 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | -178.7 | 130.8 | 110 | 149.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 359 | G | 29.6 | Very low | 31.6 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -90.2 | 150.8 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 360 | Q | 33.4 | Very low | 31.4 | Very low | 205 Ų | 205 | 146.5 Ų | 146.5 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | trans | -132.5 | 158 | 157.2 | -95.2 | 178.5 | -21.2 | 0 | 0 | 110.5 | ||||
| 361 | K | 32 | Very low | 31.5 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | trans | -100.9 | 146.5 | -168 | -69.2 | 177.6 | 174 | 178.8 | 0 | 112.5 | ||||
| 362 | C | 27.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 56.1 | 130.9 | 153.4 | -57.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 363 | V | 32.2 | Very low | 31.4 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | -149.7 | 139.8 | 104.4 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 364 | D | 30.9 | Very low | 31.4 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | trans | -83 | 154.9 | 178.8 | -47.6 | -89.1 | 0 | 0 | 0 | 112.3 | ||||
| 365 | V | 33.9 | Very low | 31.2 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 87% | 0.873 | 73% | 0.734 | S | S | * | * | trans | -109.9 | 69.5 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 366 | N | 29.9 | Very low | 31.4 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | trans | -86.8 | 121.7 | 167 | -78 | 14.5 | 0 | 0 | 0 | 109.7 | E368 | N366-E368 HydrophobicContact CB-CG 4.26Å; N366-E368 PolarHBondContact ND2-OE2 2.9Å; N366-E368 PolarHBondContact O-N 2.64Å; N366-E368 VanDerWaalsContact O-N 3.09Å | ||
| 367 | T | 31.9 | Very low | 31.2 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | trans | -83.3 | 63.9 | 164 | 49.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 368 | E | 31.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 138 Ų | 138 | 51% | 0.509 | 74% | 0.739 | S | S | . | * | trans | -94.6 | 115.5 | 172 | -77.4 | -177.4 | 97.1 | 0 | 0 | 111.2 | N366 H370 | N366-E368 HydrophobicContact CB-CG 4.26Å; N366-E368 PolarHBondContact ND2-OE2 2.9Å; N366-E368 PolarHBondContact O-N 2.64Å; N366-E368 VanDerWaalsContact O-N 3.09Å; E368-H370 PolarHBondContact O-N 3.04Å | ||
| 369 | Y | 28.5 | Very low | 31.5 | Very low | 222 Ų | 222 | 138.2 Ų | 138.2 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | trans | -78.3 | 83.1 | 173.4 | -90.2 | -84.8 | 0 | 0 | 0 | 111.2 | ||||
| 370 | H | 31.3 | Very low | 31.6 | Very low | 59 Ų | 59 | 140.6 Ų | 140.6 | 27% | 0.273 | 73% | 0.73 | S | S | . | * | trans | -110.3 | 119.1 | -176.8 | -143.6 | -65.4 | 0 | 0 | 0 | 112.1 | F124 I125 Q126 E368 | F124-H370 WeakPolarHBondContact O-CB 3.26Å; F124-H370 PolarHBondContact O-CD2 3.06Å; I125-H370 WeakPolarHBondContact CA-CD2 3.34Å; I125-H370 WeakPolarHBondContact CA-CE1 3.32Å; I125-H370 WeakPolarHBondContact CA-ND1 3.5Å; I125-H370 WeakPolarHBondContact CA-NE2 3.42Å; I125-H370 HydrophobicContact CB-CB 4.19Å; I125-H370 WeakPolarHBondContact CB-CD2 3.49Å; I125-H370 WeakPolarHBondContact CB-NE2 3.4Å; I125-H370 HydrophobicContact CG1-CB 3.69Å; I125-H370 WeakPolarHBondContact CG1-CD2 3.42Å; I125-H370 VanDerWaalsContact N-CB 3.32Å; I125-H370 PolarHBondContact N-CD2 2.88Å; I125-H370 PolarHBondContact N-CE1 3.04Å; I125-H370 PolarHBondContact N-ND1 2.89Å; I125-H370 PolarHBondContact N-NE2 2.94Å; I125-H370 PolarHBondContact O-CE1 2.89Å; I125-H370 PolarHBondContact O-NE2 3.11Å; Q126-H370 PolarHBondContact N-CE1 2.87Å; Q126-H370 VanDerWaalsContact N-CE1 3.34Å; Q126-H370 PolarHBondContact N-ND1 3.44Å; E368-H370 PolarHBondContact O-N 3.04Å | ||
| 371 | I | 31.3 | Very low | 31.6 | Very low | 83 Ų | 83 | 139 Ų | 139 | 43% | 0.426 | 73% | 0.728 | S | S | . | * | trans | -62.7 | 143 | -169 | -61.1 | 103.4 | 0 | 0 | 0 | 114.3 | Q126 | Q126-I371 HydrophobicContact CB-CD1 4.1Å; Q126-I371 HydrophobicContact CG-CB 4.22Å; Q126-I371 HydrophobicContact CG-CD1 4.32Å | ||
| 372 | K | 32.6 | Very low | 31.8 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | trans | -127.1 | 140.7 | 146.7 | -91.9 | -160.8 | 170.9 | -171.4 | 0 | 112 | F124 | F124-K372 HydrophobicContact CD1-CG 4.41Å; F124-K372 HydrophobicContact CE1-CD 3.59Å; F124-K372 VanDerWaalsContact CE1-CE 3.47Å; F124-K372 HydrophobicContact CE1-CG 3.85Å; F124-K372 HydrophobicContact CZ-CD 3.91Å | ||
| 373 | Q | 29.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | trans | -97.3 | 147.1 | 163 | -58.8 | 172.5 | -81.4 | 0 | 0 | 108.7 | ||||
| 374 | E | 34.2 | Very low | 32.8 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -149.3 | 161.4 | 147.8 | -121.2 | 157 | -131.2 | 0 | 0 | 108.8 | ||||
| 375 | C | 27.9 | Very low | 33.1 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -143.5 | 133.4 | -156 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 376 | T | 33 | Very low | 33.2 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | trans | -143.4 | 157.9 | 162.2 | 42 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 377 | T | 30.3 | Very low | 33.2 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -116.6 | -175.5 | -154.9 | -43.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 378 | E | 36.2 | Very low | 33.4 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | 90.7 | 139.6 | 160.4 | -47.5 | -151.1 | 110.9 | 0 | 0 | 116.3 | ||||
| 379 | Q | 34 | Very low | 33.6 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -152.2 | 129.9 | -4.8 | -123.5 | 172.3 | 45.7 | 0 | 0 | 112.9 | ||||
| 380 | V | 30.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 144 Ų | 144 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | trans | 14.6 | 130.3 | 139.7 | -176.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 381 | L | 35 | Very low | 34 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | -163.1 | 169.8 | 122.7 | -103.2 | 166.5 | 0 | 0 | 0 | 111.8 | |||||
| 382 | R | 35 | Very low | 34.2 | Very low | 229 Ų | 229 | 152 Ų | 152 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -115.8 | 161.4 | -158.1 | -81.9 | -171.8 | 173.4 | -161.8 | -1.2 | 116.1 | ||||
| 383 | P | 41.2 | Very low | 34.5 | Very low | 115 Ų | 115 | 151.2 Ų | 151.2 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -93.9 | 173.4 | 163.9 | 40 | -35 | 0 | 0 | 0 | 113.2 | ||||
| 384 | D | 40.3 | Very low | 35 | Very low | 166 Ų | 166 | 149 Ų | 149 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -133.8 | 163.3 | 171 | -76.6 | -52.3 | 0 | 0 | 0 | 111.5 | ||||
| 385 | D | 36.3 | Very low | 35.1 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -86.2 | 164.8 | -166.5 | -57.2 | -75.8 | 0 | 0 | 0 | 117 | ||||
| 386 | C | 36 | Very low | 35.5 | Very low | 138 Ų | 138 | 148.3 Ų | 148.3 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -170 | 152.4 | 134.2 | -107.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 387 | N | 31.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -156.1 | 132.4 | -171.6 | 165.7 | 66.5 | 0 | 0 | 0 | 112 | ||||
| 388 | E | 35 | Very low | 35.9 | Very low | 187 Ų | 187 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -164.7 | 173.1 | 159.3 | -124 | 177 | 162.4 | 0 | 0 | 115.3 | ||||
| 389 | H | 36.6 | Very low | 36 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 68% | 0.676 | 79% | 0.789 | S | S | * | * | trans | -110.6 | 163 | -164.1 | -55.4 | -101.1 | 0 | 0 | 0 | 114.5 | ||||
| 390 | T | 33.6 | Very low | 36 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | 172.6 | 116.5 | 110 | 31.4 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 391 | N | 33.5 | Very low | 36.1 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 45.4 | 154.2 | 126.1 | -54.5 | -5.3 | 0 | 0 | 0 | 126.1 | |||||
| 392 | Q | 36.9 | Very low | 35.6 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 88.8 | 141.5 | 156.4 | -46.8 | -151.3 | -80.5 | 0 | 0 | 119.4 | ||||
| 393 | D | 38.2 | Very low | 35.3 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -168.8 | 168.8 | -29.5 | -98.5 | -37 | 0 | 0 | 0 | 109.2 | ||||
| 394 | S | 38.9 | Very low | 34.8 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 122 | 101.8 | 160 | -70.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 395 | E | 36.6 | Very low | 34.2 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | 40.8 | 109.8 | 131.7 | -59.9 | 177.8 | 150.9 | 0 | 0 | 119.7 | ||||
| 396 | S | 36 | Very low | 34 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 76.1 | 140.1 | 68.5 | 86.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 397 | S | 36 | Very low | 33.7 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -158.4 | 153.7 | 15.2 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 398 | A | 36.9 | Very low | 33.9 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 58 | 150.3 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 399 | V | 37.4 | Very low | 33.7 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | cis | -174.3 | 140.4 | -4.3 | 122.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 400 | E | 35 | Very low | 33.5 | Very low | 167 Ų | 167 | 130.7 Ų | 130.7 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | cis | -137.9 | 167.1 | -12.3 | -85 | -66.7 | 61.5 | 0 | 0 | 108.3 | ||||
| 401 | P | 33.3 | Very low | 33.5 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -102.2 | 172.2 | -165.5 | 39.5 | -37 | 0 | 0 | 0 | 116.4 | ||||
| 402 | C | 24.2 | Very low | 33.4 | Very low | 108 Ų | 108 | 137 Ų | 137 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | trans | -107 | 173.8 | 170.3 | -148.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 403 | T | 28.4 | Very low | 33.1 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | 67.5 | 134.8 | 151.4 | 45 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 404 | T | 30.1 | Very low | 32.8 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 76.5 | 111.8 | 135 | 54.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 405 | V | 29 | Very low | 32.4 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | 35.6 | 150.3 | 121.4 | -142.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 406 | L | 30.6 | Very low | 32.2 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | 88.7 | 146.9 | 159.2 | -57.6 | 177.9 | 0 | 0 | 0 | 118.1 | ||||
| 407 | S | 31.2 | Very low | 32 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 57% | 0.566 | 76% | 0.763 | S | S | * | * | cis | -166 | 146.1 | -34.3 | -147.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 408 | K | 33.7 | Very low | 31.7 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | 66.1 | 139.4 | 146.2 | -78 | 163.4 | -176 | 169.9 | 0 | 122.2 | ||||
| 409 | K | 31.1 | Very low | 31.4 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 76% | 0.763 | S | S | * | * | trans | 79.2 | 145.9 | 154.7 | -68.6 | 167.6 | -179.4 | 177.9 | 0 | 118.5 | ||||
| 410 | S | 33.4 | Very low | 31 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | cis | -173.3 | 131.6 | -20 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 411 | R | 32.5 | Very low | 30.6 | Very low | 226 Ų | 226 | 138 Ų | 138 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 160.4 | 160 | -68.5 | 164.6 | -178.8 | 172.9 | -1.2 | 115.1 | ||||
| 412 | K | 32.1 | Very low | 30.3 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -154 | 149.2 | 10.6 | -141.1 | 167.7 | -178.7 | -174.5 | 0 | 111.9 | ||||
| 413 | N | 30.2 | Very low | 30.6 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | 37 | 124.2 | 152.5 | -61.5 | 12 | 0 | 0 | 0 | 122.6 | ||||
| 414 | S | 32.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | -141.4 | 164.7 | 120 | 72 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 415 | S | 29.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -138.4 | 129.2 | -172.3 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 416 | I | 32.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 144.7 Ų | 144.7 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -125.8 | 144.9 | 168.4 | -63.5 | -177.8 | 0 | 0 | 0 | 108.9 | ||||
| 417 | K | 32.5 | Very low | 31 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -76.5 | 140.1 | -169.2 | -69 | 171.7 | 178.5 | 170.4 | 0 | 112.5 | S419 | K417-S419 PolarHBondContact O-N 2.84Š| ||
| 418 | S | 29 | Very low | 31.4 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -65.6 | 119.6 | 164.3 | -46.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | S | 31.8 | Very low | 31.2 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | -108.8 | 115.1 | 165.4 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | K417 I421 | K417-S419 PolarHBondContact O-N 2.84Å; S419-I421 PolarHBondContact O-N 3.39Å | ||
| 420 | E | 27.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 93.6 | 176.6 | -67.9 | -179.3 | 152 | 0 | 0 | 110.6 | S129 V422 | S129-E420 WeakPolarHBondContact CB-OE1 3.33Å; S129-E420 PolarHBondContact OG-OE1 3.01Å; E420-V422 PolarHBondContact O-N 3.32Å | ||
| 421 | I | 27 | Very low | 31.2 | Very low | 135 Ų | 135 | 154.2 Ų | 154.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -75.5 | 98.3 | 170.9 | -58.5 | -178.7 | 0 | 0 | 0 | 108.2 | S419 V423 | S419-I421 PolarHBondContact O-N 3.39Å; I421-V423 VanDerWaalsContact C-N 3.31Å; I421-V423 HydrophobicContact CG2-CG2 3.94Å; I421-V423 PolarHBondContact O-N 3.48Å | ||
| 422 | V | 28.3 | Very low | 31.3 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -68.5 | 88.4 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 109 | E420 N424 | E420-V422 PolarHBondContact O-N 3.32Å; V422-N424 PolarHBondContact O-N 2.84Å | ||
| 423 | V | 30.4 | Very low | 31.3 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -70.2 | 102.3 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I421 E425 | I421-V423 VanDerWaalsContact C-N 3.31Å; I421-V423 HydrophobicContact CG2-CG2 3.94Å; I421-V423 PolarHBondContact O-N 3.48Å; V423-E425 PolarHBondContact O-N 2.95Å | ||
| 424 | N | 29.5 | Very low | 31.7 | Very low | 131 Ų | 131 | 151.7 Ų | 151.7 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -76.2 | 115.4 | -179.2 | -167.3 | 14.5 | 0 | 0 | 0 | 110.2 | V422 Q426 | V422-N424 PolarHBondContact O-N 2.84Å; N424-Q426 PolarHBondContact O-N 3.14Å | ||
| 425 | E | 33.9 | Very low | 32 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -67.1 | 93.2 | -179.4 | -79.6 | -163.7 | 120.6 | 0 | 0 | 112.1 | V423 | V423-E425 PolarHBondContact O-N 2.95Š| ||
| 426 | Q | 30.5 | Very low | 32.5 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -153.5 | 133.1 | 162.8 | -121.7 | 139 | 104.4 | 0 | 0 | 111.9 | N424 | N424-Q426 PolarHBondContact O-N 3.14Š| ||
| 427 | D | 31.6 | Very low | 32.7 | Very low | 144 Ų | 144 | 156.5 Ų | 156.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 61.6 | 157.4 | -173.3 | -66.1 | -44.8 | 0 | 0 | 0 | 115.1 | ||||
| 428 | L | 39.6 | Very low | 33 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | cis | -113.2 | 155.7 | 4 | -77.5 | 76.4 | 0 | 0 | 0 | 113.2 | ||||
| 429 | R | 30 | Very low | 33.6 | Very low | 227 Ų | 227 | 154.5 Ų | 154.5 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -101.5 | 116.5 | 172.3 | -72.3 | 170.4 | 162.1 | 165.5 | -4.5 | 112.3 | ||||
| 430 | R | 33.7 | Very low | 33.8 | Very low | 247 Ų | 247 | 155.7 Ų | 155.7 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | 167.7 | 153 | 122.8 | -92.9 | 161.9 | -178.6 | -149.2 | -0.3 | 114.9 | |||||
| 431 | S | 31 | Very low | 34.2 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | 75.1 | 60.9 | 149.3 | -158.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 432 | S | 33.5 | Very low | 34.8 | Very low | 109 Ų | 109 | 154.8 Ų | 154.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | -177.2 | 156.3 | 124.9 | 46 | 0 | 0 | 0 | 0 | 110.9 | Q434 | S432-Q434 PolarHBondContact O-N 2.89Š| |||
| 433 | R | 33.7 | Very low | 35.3 | Very low | 249 Ų | 249 | 155.9 Ų | 155.9 | 94% | 0.94 | 77% | 0.767 | S | S | * | * | trans | -88.5 | 76.5 | 179.8 | -85.4 | -176.6 | 164.1 | -172.2 | -4.1 | 111.3 | ||||
| 434 | Q | 37.2 | Very low | 35.8 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 140.3 | 157.2 | -69.2 | -90.2 | -87.3 | 0 | 0 | 108.6 | S432 | S432-Q434 PolarHBondContact O-N 2.89Š|
| 435 | R | 39.8 | Very low | 36.1 | Very low | 169 Ų | 169 | 158 Ų | 158 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -97 | 145.7 | -177.4 | -73 | -177.2 | 153.3 | -165 | -19 | 111.1 | N695 | R435-N695 PolarHBondContact NH1-OD1 2.94Å; R435-N695 PolarHBondContact NH2-OD1 3.05Å |
| 436 | K | 40.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 139.4 | 162 | -65.7 | -167.8 | 175.4 | -165.5 | 0 | 107.9 | ||
| 437 | P | 36.4 | Very low | 36.7 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 138.4 | 169.4 | 27 | -33.9 | 0 | 0 | 0 | 109.3 | Q439 | P437-Q439 PolarHBondContact O-N 3.47Š|
| 438 | V | 37.9 | Very low | 36.8 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 106.6 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | V440 | V438-V440 HydrophobicContact CG1-CG2 4.37Å; V438-V440 PolarHBondContact O-N 2.77Å; V438-V440 VanDerWaalsContact O-N 3.16Å | ||
| 439 | Q | 41.4 | Very low | 37 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -66.7 | 111 | 162.4 | -75.2 | -176.9 | -25.4 | 0 | 0 | 107.9 | P437 F441 | P437-Q439 PolarHBondContact O-N 3.47Å; Q439-F441 VanDerWaalsContact C-N 3.25Å; Q439-F441 HydrophobicContact CB-CD2 4.14Å; Q439-F441 HydrophobicContact CB-CE2 4.3Å; Q439-F441 PolarHBondContact O-N 3.04Å | ||
| 440 | V | 35.5 | Very low | 37.3 | Very low | 120 Ų | 120 | 157.8 Ų | 157.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 79 | -179.6 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | V438 | V438-V440 HydrophobicContact CG1-CG2 4.37Å; V438-V440 PolarHBondContact O-N 2.77Å; V438-V440 VanDerWaalsContact O-N 3.16Å | ||
| 441 | F | 36.2 | Very low | 37.5 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 51% | 0.509 | 78% | 0.778 | S | S | . | * | trans | -86.3 | 115.7 | 160.7 | -81.1 | -78.5 | 0 | 0 | 0 | 108.7 | I64 Q439 I443 | I64-F441 HydrophobicContact CD1-CZ 4.41Å; I64-F441 HydrophobicContact CG1-CZ 4.27Å; Q439-F441 VanDerWaalsContact C-N 3.25Å; Q439-F441 HydrophobicContact CB-CD2 4.14Å; Q439-F441 HydrophobicContact CB-CE2 4.3Å; Q439-F441 PolarHBondContact O-N 3.04Å; F441-I443 PolarHBondContact O-N 2.76Å; F441-I443 VanDerWaalsContact O-N 3.09Å | ||
| 442 | N | 40 | Very low | 37.9 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -64.1 | 110.8 | 172.7 | -76.8 | -10.8 | 0 | 0 | 0 | 109.9 | Q444 | N442-Q444 PolarHBondContact O-N 3.33Š| ||
| 443 | I | 38.8 | Very low | 38 | Very low | 151 Ų | 151 | 159.4 Ų | 159.4 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -85.8 | 106.1 | -179.9 | -62.4 | 173.3 | 0 | 0 | 0 | 108.5 | F441 | F441-I443 PolarHBondContact O-N 2.76Å; F441-I443 VanDerWaalsContact O-N 3.09Å | ||
| 444 | Q | 40.1 | Very low | 38.1 | Very low | 167 Ų | 167 | 152.5 Ų | 152.5 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -58.6 | 147 | 167.2 | -82.1 | -173 | -23.4 | 0 | 0 | 111 | N442 T446 | N442-Q444 PolarHBondContact O-N 3.33Å; Q444-T446 PolarHBondContact O-N 2.91Å | ||
| 445 | P | 36 | Very low | 38.4 | Very low | 134 Ų | 134 | 152 Ų | 152 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -71.4 | 84.3 | -174.7 | 28.9 | -35.9 | 0 | 0 | 0 | 112.6 | ||||
| 446 | T | 36.4 | Very low | 38.1 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -69.6 | 131.7 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 112 | Q444 | Q444-T446 PolarHBondContact O-N 2.91Š| ||
| 447 | Q | 41.3 | Very low | 38 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -60.8 | 140.3 | 178.8 | -64.8 | -173.7 | 2.4 | 0 | 0 | 112.8 | K449 | Q447-K449 PolarHBondContact O-N 3.03Å; Q447-K449 VanDerWaalsContact O-N 3.07Å | ||
| 448 | S | 34.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -76.8 | 95.1 | -167 | 46.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 449 | K | 42.4 | Very low | 37.6 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -114.9 | 127.4 | 163.3 | -74.1 | -179 | 179.3 | 172.3 | 0 | 111 | Q447 | Q447-K449 PolarHBondContact O-N 3.03Å; Q447-K449 VanDerWaalsContact O-N 3.07Å | ||
| 450 | R | 36.8 | Very low | 37.4 | Very low | 241 Ų | 241 | 145.9 Ų | 145.9 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 118.2 | -164.7 | -169.2 | -175.3 | -167.3 | -166.7 | 5.9 | 110.6 | ||
| 451 | P | 38.2 | Very low | 37.3 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 150.2 | 179.7 | 29 | -34.2 | 0 | 0 | 0 | 111.9 | ||
| 452 | K | 40 | Very low | 37.2 | Very low | 210 Ų | 210 | 149 Ų | 149 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 147.5 | 164.6 | -75.1 | -177.7 | 177.3 | 177.4 | 0 | 108.9 | ||
| 453 | L | 34.7 | Very low | 36.9 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -115.9 | 131.6 | -173.8 | -158.2 | 82.6 | 0 | 0 | 0 | 110.6 | ||||
| 454 | S | 37.3 | Very low | 36.8 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -157.8 | 95.5 | 166.2 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 455 | T | 42.1 | Very low | 36.5 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 43 | 120.3 | 134.6 | 55.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 456 | P | 34.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -80.3 | 158.7 | 164.1 | 35.7 | -34.5 | 0 | 0 | 0 | 112.3 | ||||
| 457 | V | 37.7 | Very low | 36.5 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -138 | 137.2 | 164.7 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 458 | S | 35.2 | Very low | 36.4 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -102.1 | 154.6 | -177.9 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 459 | N | 31.4 | Very low | 36.7 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 35.1 | 125.4 | 151.1 | -49.1 | -3.4 | 0 | 0 | 0 | 117.4 | ||||
| 460 | S | 36.4 | Very low | 36.4 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | 174.4 | 161.7 | 54.3 | -159.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 461 | L | 33.3 | Very low | 36.6 | Very low | 138 Ų | 138 | 143 Ų | 143 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | 65.1 | 123.8 | 150 | -113.1 | 67.6 | 0 | 0 | 0 | 122.1 | ||||
| 462 | H | 34.2 | Very low | 36.6 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 40.1 | 144.4 | 137 | -64.3 | -25.6 | 0 | 0 | 0 | 121.6 | ||||
| 463 | K | 34 | Very low | 36.3 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | cis | -164.5 | 138.6 | 18.2 | -134.3 | 177.2 | 172.8 | 176.9 | 0 | 112.1 | ||||
| 464 | V | 35.9 | Very low | 36.6 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 64.8 | 130.4 | 131 | 157.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 465 | N | 34.2 | Very low | 36.5 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | 67.7 | 153.9 | 156 | -70.5 | 9.8 | 0 | 0 | 0 | 120.5 | ||||
| 466 | N | 32.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | cis | -162.3 | 169.3 | -38.9 | -141.8 | 30.5 | 0 | 0 | 0 | 109.1 | ||||
| 467 | E | 40 | Very low | 36.5 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 66.2 | 137.1 | 155.5 | -78 | 154 | -109.7 | 0 | 0 | 121.3 | ||||
| 468 | D | 39.1 | Very low | 36.4 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 152.7 | 178.1 | -58.5 | -103.8 | 0 | 0 | 0 | 117.1 | ||||
| 469 | E | 39.9 | Very low | 36.6 | Very low | 191 Ų | 191 | 152.5 Ų | 152.5 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -157.5 | 153.8 | 133.6 | -109.3 | -85.6 | 75.6 | 0 | 0 | 109.7 | ||||
| 470 | K | 37.8 | Very low | 36.7 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -118.9 | -177.2 | -168 | -116.6 | -173.1 | -179.3 | 157.3 | 0 | 112.6 | ||||
| 471 | P | 40.1 | Very low | 36.9 | Very low | 97 Ų | 97 | 157.4 Ų | 157.4 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | trans | -107.8 | 168.5 | -132.3 | 41.9 | -34.5 | 0 | 0 | 0 | 114.7 | ||||
| 472 | K | 37.8 | Very low | 36.9 | Very low | 191 Ų | 191 | 158.8 Ų | 158.8 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -170 | 131.5 | 133.8 | -95 | 133.2 | -156.2 | 164.7 | 0 | 114.9 | ||||
| 473 | K | 34 | Very low | 37 | Very low | 187 Ų | 187 | 158 Ų | 158 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 33.5 | 122.1 | 136.2 | -55.8 | 177.6 | -178.9 | 179.9 | 0 | 119.9 | ||||
| 474 | Q | 41.6 | Very low | 37 | Very low | 194 Ų | 194 | 155.4 Ų | 155.4 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | -157.1 | 150.9 | 120.2 | -110.9 | 156.8 | 83.5 | 0 | 0 | 111.8 | |||||
| 475 | K | 35.3 | Very low | 37.1 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 88% | 0.878 | 79% | 0.788 | S | S | * | * | trans | -126.5 | 132.9 | 175.8 | -74.2 | -176.2 | 177 | -177.5 | 0 | 108.8 | ||||
| 476 | I | 37 | Very low | 37.2 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -137.8 | 133 | 156.5 | -61.3 | -174.7 | 0 | 0 | 0 | 107.9 | ||||
| 477 | P | 38.2 | Very low | 37.2 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -103.9 | 169 | -177.3 | 40.4 | -35.4 | 0 | 0 | 0 | 113.3 | ||||
| 478 | V | 36.7 | Very low | 36.8 | Very low | 142 Ų | 142 | 154 Ų | 154 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | 177.1 | 144.7 | 159.8 | 133.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 479 | V | 38.5 | Very low | 36.3 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 65% | 0.648 | 80% | 0.798 | S | S | * | * | cis | -153.1 | 153.6 | -23.7 | 130.5 | 0 | 0 | 0 | 0 | 106.2 | I481 | V479-I481 HydrophobicContact CG1-CD1 4.31Å; V479-I481 HydrophobicContact CG1-CG1 3.7Å | ||
| 480 | K | 34.1 | Very low | 36.1 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -113.1 | 137 | 161.2 | -88.8 | -173.4 | 175.3 | -179.3 | 0 | 109.6 | ||||
| 481 | I | 41.4 | Very low | 35.8 | Very low | 156 Ų | 156 | 147 Ų | 147 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -106.6 | 150.9 | 177.4 | -61.9 | -178 | 0 | 0 | 0 | 109.7 | V479 | V479-I481 HydrophobicContact CG1-CD1 4.31Å; V479-I481 HydrophobicContact CG1-CG1 3.7Å | ||
| 482 | H | 32.8 | Very low | 35.7 | Very low | 167 Ų | 167 | 153 Ų | 153 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -101.8 | -170.8 | -166.6 | -108.5 | -111.5 | 0 | 0 | 0 | 113.3 | ||||
| 483 | L | 36.3 | Very low | 35.4 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 81.4 | 116.2 | 164.5 | -54.3 | 113.2 | 0 | 0 | 0 | 115 | ||||
| 484 | T | 33 | Very low | 35.7 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | cis | 77.3 | 112.4 | 42 | 73.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 485 | A | 39.2 | Very low | 35.2 | Very low | 86 Ų | 86 | 149.7 Ų | 149.7 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 177.9 | 124.9 | 135 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 486 | N | 35.5 | Very low | 35.1 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | 44.4 | 135.3 | 130.1 | -49.1 | -13.8 | 0 | 0 | 0 | 122.9 | ||||
| 487 | G | 32.6 | Very low | 34.8 | Very low | 73 Ų | 73 | 153 Ų | 153 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 146.4 | 112.1 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 488 | H | 31 | Very low | 34.5 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | 25.5 | 119 | 152.7 | -86.7 | -105.5 | 0 | 0 | 0 | 120.3 | ||||
| 489 | V | 29.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 158.1 Ų | 158.1 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | 57.1 | 103.5 | 68.7 | -177.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 490 | V | 36.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 162.9 Ų | 162.9 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | -143.2 | 131.6 | 129.1 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 491 | N | 31.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 159.9 Ų | 159.9 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | -102.5 | 138.9 | 176.1 | 179.3 | -13.4 | 0 | 0 | 0 | 110 | N493 | N491-N493 PolarHBondContact OD1-N 2.81Š| ||
| 492 | R | 37.9 | Very low | 33.1 | Very low | 222 Ų | 222 | 162 Ų | 162 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -150.4 | 71.6 | 168.5 | -133.5 | 171.7 | -164.2 | 174.2 | 5.5 | 116.7 | Q494 | R492-Q494 PolarHBondContact O-N 3.28Š| ||
| 493 | N | 31.7 | Very low | 33.1 | Very low | 141 Ų | 141 | 162.6 Ų | 162.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -49.3 | 131.9 | 153.1 | -96.5 | -46.7 | 0 | 0 | 0 | 112.2 | N491 | N491-N493 PolarHBondContact OD1-N 2.81Š| ||
| 494 | Q | 39.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 165.4 Ų | 165.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -158.8 | 116.7 | 149.3 | -126.8 | 164.1 | 93 | 0 | 0 | 115.7 | R492 | R492-Q494 PolarHBondContact O-N 3.28Š| ||
| 495 | K | 31.5 | Very low | 33.3 | Very low | 202 Ų | 202 | 165 Ų | 165 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -58.9 | 135.2 | 164.5 | -66 | 165.5 | 175.5 | 167.2 | 0 | 110.3 | ||||
| 496 | R | 32.5 | Very low | 33.4 | Very low | 240 Ų | 240 | 172.4 Ų | 172.4 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -158 | 126.1 | 144 | -115.7 | 158.2 | -172.5 | -163.1 | 0.4 | 115.6 | ||||
| 497 | K | 30.6 | Very low | 33.4 | Very low | 197 Ų | 197 | 173.8 Ų | 173.8 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -68 | 139.2 | 170 | -52.3 | 169.1 | -179.9 | 178.6 | 0 | 110 | ||||
| 498 | K | 31.1 | Very low | 33.7 | Very low | 188 Ų | 188 | 174.2 Ų | 174.2 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | 171.5 | 137.2 | 127.1 | -94.7 | 157.9 | -176 | 176.2 | 0 | 115.6 | |||||
| 499 | K | 29.2 | Very low | 34.2 | Very low | 175 Ų | 175 | 170.4 Ų | 170.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 56.5 | 116.9 | 141 | -64.9 | -180 | 176.3 | -175 | 0 | 121.2 | ||||
| 500 | R | 27.3 | Very low | 34.6 | Very low | 208 Ų | 208 | 171.6 Ų | 171.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 43.1 | 131.6 | 123.5 | -52.7 | 174.2 | 168.4 | -172.8 | -4.6 | 118 | |||||
| 501 | H | 33.1 | Very low | 34.7 | Very low | 142 Ų | 142 | 168.7 Ų | 168.7 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | -171.7 | 131.3 | 73.3 | -99.3 | -79.4 | 0 | 0 | 0 | 116 | |||||
| 502 | R | 31.6 | Very low | 34.7 | Very low | 201 Ų | 201 | 171.3 Ų | 171.3 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | 52.4 | 118.2 | 137.4 | -74.8 | -176.2 | 168.2 | -172.2 | -4.1 | 123.2 | ||||
| 503 | K | 32.9 | Very low | 34.3 | Very low | 179 Ų | 179 | 168.3 Ų | 168.3 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | 66.5 | 139.7 | 124 | -62.2 | -173.1 | 177.2 | -166.6 | 0 | 118.1 | |||||
| 504 | K | 36.6 | Very low | 34.3 | Very low | 205 Ų | 205 | 171.9 Ų | 171.9 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | -144.5 | 155.5 | 52.3 | -71.3 | 170.7 | 179.8 | 171.9 | 0 | 114.3 | |||||
| 505 | P | 38.2 | Very low | 33.9 | Very low | 113 Ų | 113 | 167.4 Ų | 167.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -109.5 | 166.5 | 178.3 | 41.3 | -34.3 | 0 | 0 | 0 | 114.3 | ||||
| 506 | R | 40.7 | Very low | 33.9 | Very low | 242 Ų | 242 | 164.7 Ų | 164.7 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | trans | 175.3 | 156.6 | 149.3 | -99.9 | 164.7 | 178.1 | -159.8 | -1.7 | 108.8 | ||||
| 507 | K | 35.3 | Very low | 33.9 | Very low | 196 Ų | 196 | 158.4 Ų | 158.4 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | cis | -170.5 | 120.7 | -33.6 | -177.7 | -175.1 | -176.2 | -165 | 0 | 105.9 | ||||
| 508 | G | 38.8 | Very low | 33.8 | Very low | 83 Ų | 83 | 154.2 Ų | 154.2 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -173.2 | 86 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 509 | S | 41.4 | Very low | 34 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -100.6 | 166.8 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 510 | N | 38.5 | Very low | 34 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | cis | -175.8 | -164.2 | 30.5 | -138.2 | 14.8 | 0 | 0 | 0 | 108 | ||||
| 511 | P | 37.8 | Very low | 34.5 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 50% | 0.5 | 77% | 0.77 | S | S | . | * | cis | -147.9 | 57.9 | -12.5 | 39.7 | -15.8 | 0 | 0 | 0 | 117.5 | ||||
| 512 | W | 31.7 | Very low | 34.5 | Very low | 184 Ų | 184 | 146 Ų | 146 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | trans | -134.9 | 46.1 | -179.4 | -68.6 | 122.7 | 0 | 0 | 0 | 118.2 | ||||
| 513 | I | 30.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -142.1 | 111.7 | 159.9 | -57.1 | -179.6 | 0 | 0 | 0 | 110.2 | ||||
| 514 | Y | 31.3 | Very low | 35.1 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | 167.7 | 133.5 | 151.6 | -91.6 | -65.9 | 0 | 0 | 0 | 106.4 | ||||
| 515 | G | 31.1 | Very low | 35.3 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | cis | 110.2 | 76.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 516 | T | 32.2 | Very low | 35.7 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | trans | -135.9 | 140.5 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 517 | S | 31.6 | Very low | 36.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -79.3 | 154.4 | -168 | -164.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 518 | S | 29.8 | Very low | 37 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | 60.9 | 113.3 | 152.7 | -52.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 519 | S | 34.8 | Very low | 37.7 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | -160.7 | 146.1 | 62.9 | -122.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 520 | E | 29.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | 30.4 | 89.1 | 137.8 | -60 | 159 | 134.3 | 0 | 0 | 119.3 | ||||
| 521 | S | 36.7 | Very low | 39.1 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -170.8 | 126.2 | 136.3 | -167.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 522 | D | 33.3 | Very low | 40 | Very low | 145 Ų | 145 | 123 Ų | 123 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | trans | -91.9 | 148.8 | 174.8 | -54.5 | -58.2 | 0 | 0 | 0 | 110.6 | ||||
| 523 | G | 38.5 | Very low | 41.3 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 78% | 0.784 | 68% | 0.683 | S | S | * | * | trans | 128 | 57.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 524 | E | 38.9 | Very low | 42.6 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 81% | 0.808 | 67% | 0.674 | S | S | * | * | trans | -156.3 | 73.4 | 161.9 | 48 | -172.7 | 108.4 | 0 | 0 | 112.8 | ||||
| 525 | D | 41.1 | Very low | 43.7 | Very low | 159 Ų | 159 | 111.8 Ų | 111.8 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | trans | -114.1 | -17.6 | 171.1 | -100.1 | -37.7 | 0 | 0 | 0 | 113.6 | S527 | D525-S527 PolarHBondContact O-N 2.75Š| ||
| 526 | D | 47.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 6.5 | -178.6 | -44 | -71.8 | 0 | 0 | 0 | 114.1 | F528 N530 | D526-F528 PolarHBondContact O-N 2.81Å; D526-N530 WeakPolarHBondContact O-CB 3.47Å; D526-N530 PolarHBondContact O-N 2.92Å; D526-N530 VanDerWaalsContact O-N 3.13Å; D526-N530 PolarHBondContact O-ND2 3.23Å |
| 527 | S | 55.9 | Low | 45.5 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -16.2 | -169.1 | -175.4 | 0 | 0 | 0 | 0 | 114.5 | D525 A531 | D525-S527 PolarHBondContact O-N 2.75Å; S527-A531 WeakPolarHBondContact O-CB 3.49Å; S527-A531 PolarHBondContact O-N 2.88Å |
| 528 | F | 46.8 | Very low | 46.2 | Very low | 128 Ų | 128 | 112.9 Ų | 112.9 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -47 | 174.4 | 177.6 | -104.1 | 0 | 0 | 0 | 111.2 | D526 A531 L532 | D526-F528 PolarHBondContact O-N 2.81Å; F528-A531 CarbonylContact O-C 3.54Å; F528-A531 WeakPolarHBondContact O-CB 3.47Å; F528-A531 PolarHBondContact O-N 2.94Å; F528-A531 VanDerWaalsContact O-N 3.11Å; F528-L532 PolarHBondContact O-N 3.01Å |
| 529 | E | 52.7 | Low | 46.9 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 62% | 0.621 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.7 | -38.1 | -176.9 | -155.9 | 143.1 | -144.7 | 0 | 0 | 111.4 | A531 L532 M533 | E529-A531 VanDerWaalsContact C-N 3.3Å; E529-A531 PolarHBondContact O-N 2.94Å; E529-L532 WeakPolarHBondContact O-CB 3.42Å; E529-L532 PolarHBondContact O-N 3.27Å; E529-L532 VanDerWaalsContact O-N 3.16Å; E529-M533 PolarHBondContact O-N 2.91Å |
| 530 | N | 51.4 | Low | 47.1 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 44% | 0.439 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63 | -32.8 | 166.8 | -82.7 | -85.5 | 0 | 0 | 0 | 113 | D526 L532 Q534 | D526-N530 WeakPolarHBondContact O-CB 3.47Å; D526-N530 PolarHBondContact O-N 2.92Å; D526-N530 VanDerWaalsContact O-N 3.13Å; D526-N530 PolarHBondContact O-ND2 3.23Å; N530-L532 VanDerWaalsContact C-N 3.31Å; N530-Q534 VanDerWaalsContact O-CB 3.26Å; N530-Q534 WeakPolarHBondContact O-CB 3.39Å; N530-Q534 WeakPolarHBondContact O-CG 3.41Å; N530-Q534 PolarHBondContact O-N 3.03Å |
| 531 | A | 58.5 | Low | 47.5 | Very low | 27 Ų | 27 | 114.1 Ų | 114.1 | 22% | 0.223 | 63% | 0.634 | C | S | . | * | H | α-helix | trans | -75.1 | -22 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S527 F528 E529 H535 | S527-A531 WeakPolarHBondContact O-CB 3.49Å; S527-A531 PolarHBondContact O-N 2.88Å; F528-A531 CarbonylContact O-C 3.54Å; F528-A531 WeakPolarHBondContact O-CB 3.47Å; F528-A531 PolarHBondContact O-N 2.94Å; F528-A531 VanDerWaalsContact O-N 3.11Å; E529-A531 VanDerWaalsContact C-N 3.3Å; E529-A531 PolarHBondContact O-N 2.94Å; A531-H535 PolarHBondContact O-N 3.47Å |
| 532 | L | 57.6 | Low | 47.2 | Very low | 72 Ų | 72 | 118.1 Ų | 118.1 | 38% | 0.377 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.6 | -48.3 | 170.3 | -169.1 | 65.8 | 0 | 0 | 0 | 110.3 | F528 E529 N530 Q534 H535 L536 | F528-L532 PolarHBondContact O-N 3.01Å; E529-L532 WeakPolarHBondContact O-CB 3.42Å; E529-L532 PolarHBondContact O-N 3.27Å; E529-L532 VanDerWaalsContact O-N 3.16Å; N530-L532 VanDerWaalsContact C-N 3.31Å; L532-Q534 PolarHBondContact O-N 3.34Å; L532-H535 WeakPolarHBondContact O-CA 3.43Å; L532-H535 WeakPolarHBondContact O-CB 3.31Å; L532-H535 PolarHBondContact O-N 3.38Å; L532-L536 PolarHBondContact O-N 3.28Å |
| 533 | M | 59.4 | Low | 47.5 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 56% | 0.557 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.3 | -38 | 174.4 | -69.6 | -179.9 | 174.8 | 0 | 0 | 112.7 | E529 H535 L536 N537 | E529-M533 PolarHBondContact O-N 2.91Å; M533-H535 PolarHBondContact O-N 3.31Å; M533-L536 PolarHBondContact O-N 3.32Å; M533-N537 PolarHBondContact O-N 2.94Å; M533-N537 VanDerWaalsContact O-N 3.14Å; M533-N537 PolarHBondContact O-OD1 2.99Å |
| 534 | Q | 56.6 | Low | 47.2 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.4 | -18.8 | 172.7 | -76.2 | 170.3 | 24.2 | 0 | 0 | 113.7 | N530 L532 V538 | N530-Q534 VanDerWaalsContact O-CB 3.26Å; N530-Q534 WeakPolarHBondContact O-CB 3.39Å; N530-Q534 WeakPolarHBondContact O-CG 3.41Å; N530-Q534 PolarHBondContact O-N 3.03Å; L532-Q534 PolarHBondContact O-N 3.34Å; Q534-V538 VanDerWaalsContact O-CG2 3.23Å; Q534-V538 WeakPolarHBondContact O-CG2 3.41Å |
| 535 | H | 54.2 | Low | 47 | Very low | 76 Ų | 76 | 117.2 Ų | 117.2 | 35% | 0.352 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -85 | -21.5 | 170.6 | -114.8 | -56.8 | 0 | 0 | 0 | 112.2 | A531 L532 M533 S827 | A531-H535 PolarHBondContact O-N 3.47Å; L532-H535 WeakPolarHBondContact O-CA 3.43Å; L532-H535 WeakPolarHBondContact O-CB 3.31Å; L532-H535 PolarHBondContact O-N 3.38Å; M533-H535 PolarHBondContact O-N 3.31Å; H535-S827 WeakPolarHBondContact NE2-CA 3.4Å; H535-S827 VanDerWaalsContact NE2-CB 3.34Å; H535-S827 WeakPolarHBondContact NE2-CB 3.33Å; H535-S827 PolarHBondContact NE2-O 2.87Å |
| 536 | L | 49.5 | Very low | 46.7 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -82.9 | -22 | 175.4 | -63.9 | 172.3 | 0 | 0 | 0 | 113 | L532 M533 I683 | L532-L536 PolarHBondContact O-N 3.28Å; M533-L536 PolarHBondContact O-N 3.32Å; L536-I683 HydrophobicContact CD2-CD1 3.74Å |
| 537 | N | 52 | Low | 46.3 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -98.5 | 24 | -175.1 | -70.1 | 23.9 | 0 | 0 | 0 | 114 | M533 | M533-N537 PolarHBondContact O-N 2.94Å; M533-N537 VanDerWaalsContact O-N 3.14Å; M533-N537 PolarHBondContact O-OD1 2.99Å |
| 538 | V | 46.4 | Very low | 45.3 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 61% | 0.612 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -108.1 | -19.2 | -173.8 | 165.4 | 0 | 0 | 0 | 0 | 113.9 | Q534 S540 | Q534-V538 VanDerWaalsContact O-CG2 3.23Å; Q534-V538 WeakPolarHBondContact O-CG2 3.41Å; V538-S540 PolarHBondContact O-N 2.8Å |
| 539 | D | 43.2 | Very low | 44.7 | Very low | 147 Ų | 147 | 121.7 Ų | 121.7 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -96.5 | 40 | -173.5 | -61.5 | -39.9 | 0 | 0 | 0 | 113.3 | ||
| 540 | S | 38.8 | Very low | 44 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -150.6 | 140.4 | 172.4 | -64.5 | 0 | 0 | 0 | 0 | 113 | V538 | V538-S540 PolarHBondContact O-N 2.8Š|
| 541 | D | 38 | Very low | 43.3 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | trans | 60.4 | 87.4 | 169.4 | -58.6 | -22.7 | 0 | 0 | 0 | 119.7 | S543 | D541-S543 PolarHBondContact O-N 2.7Š| ||
| 542 | E | 31.9 | Very low | 42.1 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 94% | 0.944 | 72% | 0.718 | S | S | * | * | trans | -72.1 | 104.7 | 144 | -82.1 | -154.3 | 102.4 | 0 | 0 | 110.4 | ||||
| 543 | S | 38.4 | Very low | 41.1 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -175.3 | 137 | 132 | 40.6 | 0 | 0 | 0 | 0 | 116.3 | D541 | D541-S543 PolarHBondContact O-N 2.7Š| ||
| 544 | N | 33.4 | Very low | 39.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | 60.3 | 99.5 | 151.3 | -164.5 | 21.8 | 0 | 0 | 0 | 121.1 | ||||
| 545 | P | 34.2 | Very low | 38.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | trans | -119.7 | 103.5 | 178 | 37.4 | -25 | 0 | 0 | 0 | 115.9 | ||||
| 546 | H | 35.5 | Very low | 37.8 | Very low | 195 Ų | 195 | 139 Ų | 139 | 90% | 0.903 | 77% | 0.768 | S | S | * | * | trans | -160.6 | 148.3 | 161.8 | -92.6 | 5.9 | 0 | 0 | 0 | 109.1 | ||||
| 547 | S | 37 | Very low | 37.1 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | -153.4 | 173.4 | 11.7 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 548 | P | 35.9 | Very low | 36.2 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | trans | -120.5 | 166.1 | -164 | 41.3 | -32 | 0 | 0 | 0 | 118.3 | ||||
| 549 | K | 35.1 | Very low | 35.6 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 92.1 | 146.2 | 170.8 | -56.3 | 144.4 | -171.3 | 161.9 | 0 | 113.8 | ||||
| 550 | K | 38 | Very low | 35.2 | Very low | 197 Ų | 197 | 145 Ų | 145 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | cis | -158.5 | 168.6 | 18 | -129.3 | 160.6 | -178.8 | -178.8 | 0 | 110.6 | ||||
| 551 | P | 36 | Very low | 35.4 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -108 | 161.8 | -167.4 | 39.6 | -33 | 0 | 0 | 0 | 117.2 | ||||
| 552 | G | 33.2 | Very low | 35.7 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 96.2 | 137.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 553 | K | 36.5 | Very low | 36.8 | Very low | 182 Ų | 182 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | -162.8 | 154.1 | 35.7 | -179.8 | 176.7 | 179.2 | -175.2 | 0 | 113.5 | ||||
| 554 | D | 33.3 | Very low | 37.1 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -21.5 | 133.6 | 167.8 | 1.5 | -56.8 | 0 | 0 | 0 | 119.2 | ||||
| 555 | I | 34.1 | Very low | 37.7 | Very low | 169 Ų | 169 | 141 Ų | 141 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -176.9 | 142 | 130.2 | -95.6 | 155.9 | 0 | 0 | 0 | 112 | ||||
| 556 | N | 32.6 | Very low | 38.6 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 63% | 0.631 | 79% | 0.789 | S | S | * | * | trans | 52.8 | 113.2 | 169.1 | -123.5 | 49 | 0 | 0 | 0 | 121 | E558 | N556-E558 PolarHBondContact ND2-OE2 2.91Š| ||
| 557 | P | 35.7 | Very low | 39 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -96.3 | 118 | 151.7 | 34 | -23.8 | 0 | 0 | 0 | 110.5 | ||||
| 558 | E | 32.6 | Very low | 39.8 | Very low | 150 Ų | 150 | 144 Ų | 144 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -142.7 | 161.1 | 171.4 | -167.6 | 166.2 | -169.9 | 0 | 0 | 105.6 | N556 | N556-E558 PolarHBondContact ND2-OE2 2.91Š| ||
| 559 | W | 33.5 | Very low | 40.7 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 71 | 80.9 | -162.2 | -54 | 82.1 | 0 | 0 | 0 | 113.7 | ||||
| 560 | S | 36.3 | Very low | 41.5 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -125.2 | 89.6 | 153.3 | 57.7 | 0 | 0 | 0 | 0 | 106.8 | A562 | S560-A562 PolarHBondContact O-N 3.24Š| ||
| 561 | D | 41.5 | Very low | 42.4 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68 | 119 | 176.1 | -62.2 | -54 | 0 | 0 | 0 | 108.7 | ||
| 562 | A | 45.9 | Very low | 43 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 140.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S560 E564 | S560-A562 PolarHBondContact O-N 3.24Å; A562-E564 PolarHBondContact O-N 2.82Å |
| 563 | P | 54.6 | Low | 43.9 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.7 | 168.6 | 28.7 | -32.8 | 0 | 0 | 0 | 109.3 | S565 | P563-S565 PolarHBondContact O-N 3.35Š|
| 564 | E | 44.6 | Very low | 44.8 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 121.1 | 176.8 | -65.6 | -178.1 | 128.2 | 0 | 0 | 109.7 | A562 D566 | A562-E564 PolarHBondContact O-N 2.82Å; E564-D566 PolarHBondContact O-N 2.83Å |
| 565 | S | 45.3 | Very low | 45.8 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -95.1 | 92.2 | -176.5 | 59 | 0 | 0 | 0 | 0 | 110.8 | P563 F567 | P563-S565 PolarHBondContact O-N 3.35Å; S565-F567 PolarHBondContact O-N 3.41Å | ||
| 566 | D | 53.7 | Low | 46.9 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -78.8 | 39.3 | -174.3 | -150.8 | 26.8 | 0 | 0 | 0 | 113.8 | E564 | E564-D566 PolarHBondContact O-N 2.83Š| ||
| 567 | F | 42.6 | Very low | 48 | Very low | 195 Ų | 195 | 137 Ų | 137 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -113.7 | 102.8 | 179.6 | -93.3 | -90.5 | 0 | 0 | 0 | 110.7 | S565 P569 | S565-F567 PolarHBondContact O-N 3.41Å; F567-P569 WeakPolarHBondContact O-CD 3.39Å | ||
| 568 | D | 55.8 | Low | 49 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | -82.9 | 112.2 | 168.4 | -169.2 | -21.8 | 0 | 0 | 0 | 109.4 | N570 | D568-N570 PolarHBondContact O-N 3.45Å; D568-N570 VanDerWaalsContact O-N 3.09Å; D568-N570 PolarHBondContact OD1-N 3.13Å; D568-N570 PolarHBondContact OD1-ND2 3.43Å | ||
| 569 | P | 53.2 | Low | 50 | Low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -2.4 | -171.5 | 30.6 | -37 | 0 | 0 | 0 | 114.3 | F567 | F567-P569 WeakPolarHBondContact O-CD 3.39Š|
| 570 | N | 53.3 | Low | 51.1 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 7.1 | -177.4 | -56.2 | -59.7 | 0 | 0 | 0 | 114 | D568 | D568-N570 PolarHBondContact O-N 3.45Å; D568-N570 VanDerWaalsContact O-N 3.09Å; D568-N570 PolarHBondContact OD1-N 3.13Å; D568-N570 PolarHBondContact OD1-ND2 3.43Å |
| 571 | G | 56.1 | Low | 52 | Low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | -97.8 | 5.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 572 | L | 49.4 | Very low | 52.6 | Low | 138 Ų | 138 | 126.9 Ų | 126.9 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | trans | -115.2 | 127.2 | -168.8 | -64.6 | 178.2 | 0 | 0 | 0 | 114.4 | ||||
| 573 | D | 50.8 | Low | 53 | Low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -76.9 | 124.9 | 174 | -121.1 | -35.2 | 0 | 0 | 0 | 110.3 | Q575 | D573-Q575 PolarHBondContact O-N 2.86Š| ||
| 574 | I | 55.4 | Low | 53.2 | Low | 166 Ų | 166 | 120.4 Ų | 120.4 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 24.7 | -160.4 | -60.3 | 165.6 | 0 | 0 | 0 | 112.9 | ||
| 575 | Q | 55.8 | Low | 54.1 | Low | 192 Ų | 192 | 118.8 Ų | 118.8 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 7.4 | -167.4 | -61.9 | -167.9 | 3.3 | 0 | 0 | 116.9 | D573 | D573-Q575 PolarHBondContact O-N 2.86Š|
| 576 | S | 55.6 | Low | 54.8 | Low | 79 Ų | 79 | 113.6 Ų | 113.6 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -120 | -20.1 | -178.2 | 50.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 577 | D | 55.5 | Low | 55.5 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -99.9 | -6.3 | -152.8 | -71.5 | 14 | 0 | 0 | 0 | 115.4 | D579 S580 | D577-D579 VanDerWaalsContact C-N 3.29Å; D577-D579 PolarHBondContact O-N 2.91Å; D577-S580 PolarHBondContact O-N 2.88Å |
| 578 | A | 57.8 | Low | 56.9 | Low | 92 Ų | 92 | 100.6 Ų | 100.6 | 76% | 0.76 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -61.4 | -32.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S580 | A578-S580 VanDerWaalsContact C-N 3.33Å; A578-S580 PolarHBondContact O-N 3.22Å |
| 579 | D | 53.6 | Low | 57.4 | Low | 129 Ų | 129 | 99.5 Ų | 99.5 | 69% | 0.69 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -82.7 | -7.1 | -178.1 | -66 | -19.4 | 0 | 0 | 0 | 113.3 | D577 | D577-D579 VanDerWaalsContact C-N 3.29Å; D577-D579 PolarHBondContact O-N 2.91Å |
| 580 | S | 55.6 | Low | 58.1 | Low | 62 Ų | 62 | 94.7 Ų | 94.7 | 43% | 0.434 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -93.7 | 3.1 | -171.6 | -166.5 | 0 | 0 | 0 | 0 | 114.9 | D577 A578 | D577-S580 PolarHBondContact O-N 2.88Å; A578-S580 VanDerWaalsContact C-N 3.33Å; A578-S580 PolarHBondContact O-N 3.22Å |
| 581 | V | 55.1 | Low | 59.1 | Low | 130 Ų | 130 | 92.7 Ų | 92.7 | 79% | 0.788 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -30.2 | -179.8 | 180 | 0 | 0 | 0 | 0 | 112 | ||
| 582 | T | 55.4 | Low | 59.9 | Low | 122 Ų | 122 | 98.9 Ų | 98.9 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -34.2 | 174.2 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | G584 | T582-G584 PolarHBondContact O-N 3.07Å; T582-G584 VanDerWaalsContact O-N 3.16Å |
| 583 | D | 54.7 | Low | 60.5 | Low | 50 Ų | 50 | 97.1 Ų | 97.1 | 27% | 0.267 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -77.2 | 96.8 | 175.4 | -82.3 | 17.3 | 0 | 0 | 0 | 110.3 | L587 K591 | D583-L587 HydrophobicContact CB-CD2 4.07Å; D583-L587 WeakPolarHBondContact OD2-CD2 3.33Å; D583-K591 IonicContact OD2-NZ 3.51Å; D583-K591 PolarHBondContact OD2-NZ 3.21Å |
| 584 | G | 57.3 | Low | 61.3 | Low | 19 Ų | 19 | 94.5 Ų | 94.5 | 20% | 0.196 | 50% | 0.495 | C | S | . | . | trans | -49.5 | 152.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T582 N586 L587 A588 | T582-G584 PolarHBondContact O-N 3.07Å; T582-G584 VanDerWaalsContact O-N 3.16Å; G584-N586 PolarHBondContact O-N 3.07Å; G584-L587 PolarHBondContact O-N 3.2Å; G584-A588 PolarHBondContact O-N 2.97Å | ||
| 585 | R | 64.2 | Low | 62 | Low | 162 Ų | 162 | 94.3 Ų | 94.3 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -49.8 | -38.6 | -165.2 | -62 | -172.7 | -175.1 | 99.9 | -3.4 | 114.3 | L587 A588 R589 D652 | R585-L587 PolarHBondContact O-N 2.75Å; R585-A588 PolarHBondContact O-N 3.08Å; R585-R589 WeakPolarHBondContact O-CB 3.27Å; R585-R589 PolarHBondContact O-N 2.86Å; R585-D652 IonicContact CZ-OD1 3.66Å; R585-D652 IonicContact NH1-OD1 2.9Å; R585-D652 PolarHBondContact NH1-OD1 3.26Å; R585-D652 IonicContact NH1-OD2 3.26Å; R585-D652 PolarHBondContact NH1-OD2 3.24Å |
| 586 | N | 60.3 | Low | 62.4 | Low | 3 Ų | 3 | 90.2 Ų | 90.2 | 2% | 0.016 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 177.7 | -114.2 | -80.6 | 0 | 0 | 0 | 112.2 | G584 R589 Q590 L628 D630 | G584-N586 PolarHBondContact O-N 3.07Å; N586-R589 PolarHBondContact O-N 3Å; N586-Q590 WeakPolarHBondContact O-CG 3.44Å; N586-Q590 PolarHBondContact O-N 3.29Å; N586-L628 PolarHBondContact ND2-O 3.42Å; N586-L628 PolarHBondContact OD1-N 3.32Å; N586-D630 PolarHBondContact ND2-OD2 3.14Å |
| 587 | L | 68.8 | Low | 62.4 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 35% | 0.346 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 176.5 | -179.5 | 58.1 | 0 | 0 | 0 | 112 | D583 G584 R585 R589 Q590 K591 | D583-L587 HydrophobicContact CB-CD2 4.07Å; D583-L587 WeakPolarHBondContact OD2-CD2 3.33Å; G584-L587 PolarHBondContact O-N 3.2Å; R585-L587 PolarHBondContact O-N 2.75Å; L587-R589 VanDerWaalsContact C-N 3.26Å; L587-R589 PolarHBondContact O-N 2.86Å; L587-Q590 PolarHBondContact O-N 3.18Å; L587-K591 HydrophobicContact CD1-CD 4.48Å; L587-K591 HydrophobicContact CD1-CG 4.29Å; L587-K591 HydrophobicContact CG-CD 4.27Å; L587-K591 WeakPolarHBondContact O-CB 3.4Å; L587-K591 WeakPolarHBondContact O-CG 3.37Å; L587-K591 PolarHBondContact O-N 2.98Å |
| 588 | A | 70.7 | Confident | 62.6 | Low | 20 Ų | 20 | 98.2 Ų | 98.2 | 17% | 0.165 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | G584 R585 R592 | G584-A588 PolarHBondContact O-N 2.97Å; R585-A588 PolarHBondContact O-N 3.08Å; A588-R592 VanDerWaalsContact O-CG 3.29Å; A588-R592 WeakPolarHBondContact O-CG 3.31Å; A588-R592 PolarHBondContact O-N 2.96Å; A588-R592 VanDerWaalsContact O-N 3.11Å |
| 589 | R | 67.1 | Low | 62.5 | Low | 98 Ų | 98 | 97.2 Ų | 97.2 | 37% | 0.37 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -44.2 | 176 | -148.2 | 175.1 | -164.2 | -168.3 | 8 | 111.9 | R585 N586 L587 R592 L593 D633 | R585-R589 WeakPolarHBondContact O-CB 3.27Å; R585-R589 PolarHBondContact O-N 2.86Å; N586-R589 PolarHBondContact O-N 3Å; L587-R589 VanDerWaalsContact C-N 3.26Å; L587-R589 PolarHBondContact O-N 2.86Å; R589-R592 WeakPolarHBondContact O-CB 3.34Å; R589-R592 PolarHBondContact O-N 3.42Å; R589-L593 WeakPolarHBondContact O-CG 3.41Å; R589-L593 PolarHBondContact O-N 2.67Å; R589-D633 IonicContact CZ-OD1 3.87Å; R589-D633 IonicContact NH1-OD1 2.64Å; R589-D633 PolarHBondContact NH1-OD1 2.87Å; R589-D633 IonicContact NH2-OD1 2.72Å; R589-D633 PolarHBondContact NH2-OD1 2.76Å |
| 590 | Q | 66.9 | Low | 62 | Low | 17 Ų | 17 | 96.3 Ų | 96.3 | 8% | 0.079 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.1 | -74.1 | -174.2 | -18.2 | 0 | 0 | 112.3 | N586 L587 R592 L593 Q594 D624 I626 | N586-Q590 WeakPolarHBondContact O-CG 3.44Å; N586-Q590 PolarHBondContact O-N 3.29Å; L587-Q590 PolarHBondContact O-N 3.18Å; Q590-R592 VanDerWaalsContact C-N 3.27Å; Q590-R592 PolarHBondContact O-N 3.24Å; Q590-L593 PolarHBondContact O-N 2.93Å; Q590-L593 VanDerWaalsContact O-N 3.08Å; Q590-Q594 PolarHBondContact O-N 3.02Å; Q590-D624 PolarHBondContact NE2-O 3.1Å; Q590-I626 PolarHBondContact NE2-O 3.11Å |
| 591 | K | 75 | Confident | 61.5 | Low | 106 Ų | 106 | 99.3 Ų | 99.3 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.8 | -39.3 | 173.8 | -75.4 | 175.7 | 174.1 | -176.8 | 0 | 112.1 | D583 L587 K595 | D583-K591 IonicContact OD2-NZ 3.51Å; D583-K591 PolarHBondContact OD2-NZ 3.21Å; L587-K591 HydrophobicContact CD1-CD 4.48Å; L587-K591 HydrophobicContact CD1-CG 4.29Å; L587-K591 HydrophobicContact CG-CD 4.27Å; L587-K591 WeakPolarHBondContact O-CB 3.4Å; L587-K591 WeakPolarHBondContact O-CG 3.37Å; L587-K591 PolarHBondContact O-N 2.98Å; K591-K595 VanDerWaalsContact O-CB 3.31Å; K591-K595 WeakPolarHBondContact O-CB 3.35Å; K591-K595 PolarHBondContact O-N 3.02Å |
| 592 | R | 72.8 | Confident | 60.9 | Low | 190 Ų | 190 | 98 Ų | 98 | 72% | 0.717 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 174.1 | -74.7 | 172.6 | -177.4 | -170.1 | 1.2 | 112.5 | A588 R589 Q590 K596 | A588-R592 VanDerWaalsContact O-CG 3.29Å; A588-R592 WeakPolarHBondContact O-CG 3.31Å; A588-R592 PolarHBondContact O-N 2.96Å; A588-R592 VanDerWaalsContact O-N 3.11Å; R589-R592 WeakPolarHBondContact O-CB 3.34Å; R589-R592 PolarHBondContact O-N 3.42Å; Q590-R592 VanDerWaalsContact C-N 3.27Å; Q590-R592 PolarHBondContact O-N 3.24Å; R592-K596 WeakPolarHBondContact O-CB 3.07Å; R592-K596 PolarHBondContact O-N 2.79Å |
| 593 | L | 63.2 | Low | 60.2 | Low | 101 Ų | 101 | 97.5 Ų | 97.5 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 176.3 | -70 | 171 | 0 | 0 | 0 | 111.9 | R589 Q590 K595 K596 F597 | R589-L593 WeakPolarHBondContact O-CG 3.41Å; R589-L593 PolarHBondContact O-N 2.67Å; Q590-L593 PolarHBondContact O-N 2.93Å; Q590-L593 VanDerWaalsContact O-N 3.08Å; L593-K595 PolarHBondContact O-N 3.15Å; L593-K596 WeakPolarHBondContact O-CB 3.25Å; L593-K596 PolarHBondContact O-N 3.19Å; L593-K596 VanDerWaalsContact O-N 3.13Å; L593-F597 PolarHBondContact O-N 3.15Å |
| 594 | Q | 67 | Low | 59.5 | Low | 90 Ų | 90 | 102.3 Ų | 102.3 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 175.6 | -72 | 175.7 | -12.9 | 0 | 0 | 111.5 | Q590 K596 F597 E598 D624 | Q590-Q594 PolarHBondContact O-N 3.02Å; Q594-K596 VanDerWaalsContact C-N 3.27Å; Q594-K596 PolarHBondContact O-N 3.02Å; Q594-F597 WeakPolarHBondContact O-CA 3.26Å; Q594-F597 WeakPolarHBondContact O-CB 3.5Å; Q594-F597 PolarHBondContact O-N 2.98Å; Q594-E598 PolarHBondContact O-N 3.17Å; Q594-D624 PolarHBondContact NE2-OD1 3.23Å |
| 595 | K | 69.7 | Low | 58.8 | Low | 161 Ų | 161 | 106.3 Ų | 106.3 | 70% | 0.7 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -29.3 | 175.8 | -167.8 | 171.9 | -177.2 | 177.8 | 0 | 113.1 | K591 L593 S599 | K591-K595 VanDerWaalsContact O-CB 3.31Å; K591-K595 WeakPolarHBondContact O-CB 3.35Å; K591-K595 PolarHBondContact O-N 3.02Å; L593-K595 PolarHBondContact O-N 3.15Å; K595-S599 WeakPolarHBondContact O-CB 3.42Å; K595-S599 PolarHBondContact O-N 3.18Å; K595-S599 PolarHBondContact O-OG 3.29Å |
| 596 | K | 63.5 | Low | 57.4 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.2 | -35.8 | 171.6 | -164.4 | -176.5 | -177.9 | -171.1 | 0 | 111.9 | R592 L593 Q594 S599 E609 | R592-K596 WeakPolarHBondContact O-CB 3.07Å; R592-K596 PolarHBondContact O-N 2.79Å; L593-K596 WeakPolarHBondContact O-CB 3.25Å; L593-K596 PolarHBondContact O-N 3.19Å; L593-K596 VanDerWaalsContact O-N 3.13Å; Q594-K596 VanDerWaalsContact C-N 3.27Å; Q594-K596 PolarHBondContact O-N 3.02Å; K596-S599 PolarHBondContact O-OG 3.44Å; K596-E609 IonicContact NZ-OE1 3.26Å; K596-E609 PolarHBondContact NZ-OE1 3.01Å; K596-E609 IonicContact NZ-OE2 2.65Å; K596-E609 PolarHBondContact NZ-OE2 3.43Å |
| 597 | F | 55.3 | Low | 56.6 | Low | 167 Ų | 167 | 110.2 Ų | 110.2 | 73% | 0.732 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.7 | -38.3 | 177.9 | -135.9 | -90 | 0 | 0 | 0 | 112.8 | L593 Q594 | L593-F597 PolarHBondContact O-N 3.15Å; Q594-F597 WeakPolarHBondContact O-CA 3.26Å; Q594-F597 WeakPolarHBondContact O-CB 3.5Å; Q594-F597 PolarHBondContact O-N 2.98Å |
| 598 | E | 60.2 | Low | 55.3 | Low | 171 Ų | 171 | 114.1 Ų | 114.1 | 80% | 0.799 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.9 | -20.2 | 179.8 | -68 | -170 | 139.3 | 0 | 0 | 114.3 | Q594 | Q594-E598 PolarHBondContact O-N 3.17Å |
| 599 | S | 55.7 | Low | 54.2 | Low | 71 Ų | 71 | 120.1 Ų | 120.1 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -95.6 | -4.3 | -167.1 | 51.2 | 0 | 0 | 0 | 0 | 116.4 | K595 K596 | K595-S599 WeakPolarHBondContact O-CB 3.42Å; K595-S599 PolarHBondContact O-N 3.18Å; K595-S599 PolarHBondContact O-OG 3.29Å; K596-S599 PolarHBondContact O-OG 3.44Å |
| 600 | N | 43.6 | Very low | 53.5 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | trans | -138.1 | 82.1 | -177.1 | -93.6 | -60.3 | 0 | 0 | 0 | 114.6 | S602 | N600-S602 VanDerWaalsContact C-N 3.31Å; N600-S602 PolarHBondContact O-N 3.22Å | ||
| 601 | P | 44.3 | Very low | 53.2 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -81 | 3.1 | 175.7 | 33.2 | -36.3 | 0 | 0 | 0 | 114.9 | ||
| 602 | S | 43.9 | Very low | 52.8 | Low | 102 Ų | 102 | 127.3 Ų | 127.3 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -157.3 | 50.9 | -166.9 | 66.5 | 0 | 0 | 0 | 0 | 117.9 | N600 | N600-S602 VanDerWaalsContact C-N 3.31Å; N600-S602 PolarHBondContact O-N 3.22Å |
| 603 | T | 40.4 | Very low | 53.2 | Low | 111 Ų | 111 | 120.8 Ų | 120.8 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | trans | -135 | 116.4 | 165.1 | -48.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 604 | N | 40.4 | Very low | 54.2 | Low | 152 Ų | 152 | 116 Ų | 116 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | trans | -116.6 | 98.1 | 177.9 | 176.3 | 15.6 | 0 | 0 | 0 | 110.4 | ||||
| 605 | C | 41.2 | Very low | 54.9 | Low | 102 Ų | 102 | 113.3 Ų | 113.3 | 69% | 0.689 | 61% | 0.606 | S | S | * | * | trans | -153.6 | 131.7 | 167.3 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 606 | N | 34.8 | Very low | 55.4 | Low | 163 Ų | 163 | 106.5 Ų | 106.5 | 87% | 0.872 | 58% | 0.578 | S | S | * | * | trans | -76.3 | 128.4 | -166 | -39.3 | -85.5 | 0 | 0 | 0 | 113.3 | ||||
| 607 | A | 43.4 | Very low | 56.4 | Low | 85 Ų | 85 | 103 Ų | 103 | 70% | 0.702 | 57% | 0.566 | S | S | * | * | trans | -153.1 | 143 | 152.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | E609 | A607-E609 PolarHBondContact O-N 3.39Š| ||
| 608 | D | 42.8 | Very low | 57.5 | Low | 148 Ų | 148 | 99.1 Ų | 99.1 | 79% | 0.791 | 55% | 0.549 | S | S | * | . | trans | -75.2 | 85.2 | -171.5 | -54.4 | -83.2 | 0 | 0 | 0 | 112.6 | K610 | D608-K610 VanDerWaalsContact C-N 3.29Å; D608-K610 HydrophobicContact CB-CG 4.31Å; D608-K610 PolarHBondContact O-N 3.23Å | ||
| 609 | E | 48.2 | Very low | 58.4 | Low | 146 Ų | 146 | 96.7 Ų | 96.7 | 68% | 0.682 | 54% | 0.536 | S | S | * | . | trans | -68.1 | 92.2 | 158.3 | -68.3 | -157.5 | 175.2 | 0 | 0 | 108.7 | K596 A607 E611 | K596-E609 IonicContact NZ-OE1 3.26Å; K596-E609 PolarHBondContact NZ-OE1 3.01Å; K596-E609 IonicContact NZ-OE2 2.65Å; K596-E609 PolarHBondContact NZ-OE2 3.43Å; A607-E609 PolarHBondContact O-N 3.39Å; E609-E611 PolarHBondContact O-N 3.45Å | ||
| 610 | K | 51.8 | Low | 59.5 | Low | 177 Ų | 177 | 95.7 Ų | 95.7 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | trans | -70.5 | 88.9 | -177.9 | -64.5 | 173.5 | -173.2 | 172.8 | 0 | 110.5 | D608 E612 | D608-K610 VanDerWaalsContact C-N 3.29Å; D608-K610 HydrophobicContact CB-CG 4.31Å; D608-K610 PolarHBondContact O-N 3.23Å; K610-E612 PolarHBondContact O-N 3.28Å | ||
| 611 | E | 59.1 | Low | 60.8 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | trans | -52.1 | 111 | 159.9 | -66.4 | -178 | 163.8 | 0 | 0 | 108.5 | E609 P613 | E609-E611 PolarHBondContact O-N 3.45Å; E611-P613 VanDerWaalsContact O-CD 3.26Å; E611-P613 WeakPolarHBondContact O-CD 3.29Å; E611-P613 VanDerWaalsContact O-N 3.17Å | ||
| 612 | E | 66.7 | Low | 62 | Low | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | trans | -68.6 | 115.8 | -172.2 | -66.6 | -161 | 172.1 | 0 | 0 | 111.1 | K610 L634 G635 | K610-E612 PolarHBondContact O-N 3.28Å; E612-L634 WeakPolarHBondContact OE2-CA 3.5Å; E612-L634 PolarHBondContact OE2-N 3.19Å; E612-G635 PolarHBondContact OE2-N 3.05Å | ||
| 613 | P | 81.2 | Confident | 63.4 | Low | 53 Ų | 53 | 92.6 Ų | 92.6 | 34% | 0.344 | 50% | 0.498 | S | S | . | . | trans | -72 | 146.7 | -176.7 | 30.7 | -35.2 | 0 | 0 | 0 | 110.3 | E611 Q615 | E611-P613 VanDerWaalsContact O-CD 3.26Å; E611-P613 WeakPolarHBondContact O-CD 3.29Å; E611-P613 VanDerWaalsContact O-N 3.17Å; P613-Q615 PolarHBondContact O-N 2.93Å; P613-Q615 PolarHBondContact O-NE2 3.09Å | ||
| 614 | C | 84.5 | Confident | 65 | Low | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 49% | 0.485 | C | S | . | . | trans | -58.8 | 125.4 | -179.6 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | V616 C617 F618 K619 G635 H637 | C614-V616 PolarHBondContact O-N 3.13Å; C614-V616 PolarHBondContact SG-N 3.16Å; C614-C617 PolarHBondContact O-N 3.4Å; C614-F618 VanDerWaalsContact O-CA 3.29Å; C614-F618 WeakPolarHBondContact O-CA 3.29Å; C614-F618 PolarHBondContact O-N 3.43Å; C614-K619 PolarHBondContact N-O 3.42Å; C614-G635 VanDerWaalsContact CA-O 3.27Å; C614-G635 WeakPolarHBondContact CA-O 3.34Å; C614-H637 WeakPolarHBondContact CB-CE1 3.43Å; C614-H637 WeakPolarHBondContact CB-ND1 3.26Å; C614-H637 PolarHBondContact SG-N 3.14Å; C614-H637 VanDerWaalsContact SG-N 3.38Å; C614-H637 PolarHBondContact SG-ND1 2.9Å; C614-H637 VanDerWaalsContact SG-ND1 3.38Å | ||
| 615 | Q | 83.3 | Confident | 66.9 | Low | 34 Ų | 34 | 88.9 Ų | 88.9 | 16% | 0.159 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9 | -176.7 | -59.6 | -57.7 | -63.6 | 0 | 0 | 115.5 | L236 P613 F618 L634 G635 | L236-Q615 HydrophobicContact CD1-CB 4.22Å; P613-Q615 PolarHBondContact O-N 2.93Å; P613-Q615 PolarHBondContact O-NE2 3.09Å; Q615-F618 WeakPolarHBondContact O-CZ 3.46Å; Q615-L634 HydrophobicContact CG-CB 3.84Å; Q615-L634 HydrophobicContact CG-CD1 4.05Å; Q615-L634 HydrophobicContact CG-CG 4.36Å; Q615-G635 PolarHBondContact N-O 2.89Å; Q615-G635 VanDerWaalsContact N-O 3.09Å |
| 616 | V | 80 | Confident | 69 | Low | 18 Ų | 18 | 85 Ų | 85 | 11% | 0.109 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -33.3 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | L236 E237 F240 C614 C640 | L236-V616 HydrophobicContact CB-CG2 4.41Å; L236-V616 HydrophobicContact CD1-CG2 4.35Å; E237-V616 WeakPolarHBondContact CB-O 3.22Å; E237-V616 WeakPolarHBondContact CG-O 3.41Å; F240-V616 HydrophobicContact CD2-CG1 3.8Å; F240-V616 HydrophobicContact CD2-CG2 4.13Å; F240-V616 HydrophobicContact CE2-CG1 4.28Å; F240-V616 HydrophobicContact CE2-CG2 3.82Å; C614-V616 PolarHBondContact O-N 3.13Å; C614-V616 PolarHBondContact SG-N 3.16Å; V616-C640 HydrophobicContact CB-CB 4.03Å; V616-C640 HydrophobicContact CG1-CB 4.23Å; V616-C640 HydrophobicContact CG2-CB 4.43Å |
| 617 | C | 83.5 | Confident | 71.4 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 2 | -173.5 | 75.6 | 0 | 0 | 0 | 0 | 114.9 | C614 K619 H637 | C614-C617 PolarHBondContact O-N 3.4Å; C617-K619 WeakPolarHBondContact O-CG 3.19Å; C617-K619 PolarHBondContact O-N 2.86Å; C617-K619 VanDerWaalsContact O-N 3.14Å; C617-H637 PolarHBondContact SG-CE1 3.23Å; C617-H637 PolarHBondContact SG-ND1 3.1Å; C617-H637 VanDerWaalsContact SG-ND1 3.44Å |
| 618 | F | 78.7 | Confident | 73.5 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | trans | 51.2 | 33.9 | 176.5 | -56.3 | -73 | 0 | 0 | 0 | 115.5 | K235 E237 C614 Q615 | K235-F618 HydrophobicContact CD-CE2 4.36Å; K235-F618 HydrophobicContact CD-CZ 4.14Å; E237-F618 HydrophobicContact CB-CE2 4.02Å; E237-F618 WeakPolarHBondContact OE2-CE2 3.34Å; C614-F618 VanDerWaalsContact O-CA 3.29Å; C614-F618 WeakPolarHBondContact O-CA 3.29Å; C614-F618 PolarHBondContact O-N 3.43Å; Q615-F618 WeakPolarHBondContact O-CZ 3.46Å | ||
| 619 | K | 79.1 | Confident | 75.7 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 52% | 0.517 | 33% | 0.332 | S | S | . | . | trans | -118.2 | 153.5 | 175.1 | -65.5 | 164.8 | -170.6 | 175.5 | 0 | 109.9 | C614 C617 H637 | C614-K619 PolarHBondContact N-O 3.42Å; C617-K619 WeakPolarHBondContact O-CG 3.19Å; C617-K619 PolarHBondContact O-N 2.86Å; C617-K619 VanDerWaalsContact O-N 3.14Å; K619-H637 PolarHBondContact O-CE1 2.8Å; K619-H637 PolarHBondContact O-NE2 2.91Å | ||
| 620 | S | 78 | Confident | 77.7 | Confident | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | trans | -104.3 | 20.8 | 169.9 | 57 | 0 | 0 | 0 | 0 | 113 | ||||
| 621 | H | 71.2 | Confident | 79.3 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | trans | -69.2 | 143.2 | 179.1 | 62.2 | 6.5 | 0 | 0 | 0 | 111.8 | H637 | H621-H637 AromaticContact CE1-CE1 3.21Å; H621-H637 PolarHBondContact CE1-CE1 3.08Å; H621-H637 AromaticContact CE1-ND1 3.57Å; H621-H637 AromaticContact CE1-NE2 3.63Å; H621-H637 AromaticContact ND1-CD2 3.81Å; H621-H637 AromaticContact ND1-CE1 3.12Å; H621-H637 PolarHBondContact ND1-CE1 3.44Å; H621-H637 AromaticContact ND1-ND1 3.84Å; H621-H637 AromaticContact ND1-NE2 3.08Å; H621-H637 PolarHBondContact ND1-NE2 3.38Å; H621-H637 PolarHBondContact O-CD2 3.27Å; H621-H637 PolarHBondContact O-NE2 3.29Å | ||
| 622 | L | 70.3 | Confident | 80.7 | Confident | 113 Ų | 113 | 58.2 Ų | 58.2 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | trans | 58.4 | 62.2 | -176.5 | -50.5 | 171.5 | 0 | 0 | 0 | 112.7 | D624 W625 I626 | L622-D624 PolarHBondContact O-N 2.95Å; L622-W625 HydrophobicContact CB-CB 4.18Å; L622-W625 CarbonylContact O-C 3.59Å; L622-W625 WeakPolarHBondContact O-CA 3.35Å; L622-W625 PolarHBondContact O-N 3.4Å; L622-I626 PolarHBondContact O-N 3.36Å | ||
| 623 | P | 72.5 | Confident | 81.6 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -57.6 | -33.9 | 179.9 | 24.4 | -34.5 | 0 | 0 | 0 | 113 | W625 I626 | P623-W625 PolarHBondContact O-N 3.31Å; P623-W625 VanDerWaalsContact O-N 3.1Å; P623-I626 PolarHBondContact O-N 2.81Å; P623-I626 VanDerWaalsContact O-N 3.08Å |
| 624 | D | 74.5 | Confident | 81.8 | Confident | 79 Ų | 79 | 57.4 Ų | 57.4 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -61 | -16.7 | 173.7 | -57.4 | -71.9 | 0 | 0 | 0 | 114.2 | Q590 Q594 L622 | Q590-D624 PolarHBondContact NE2-O 3.1Å; Q594-D624 PolarHBondContact NE2-OD1 3.23Å; L622-D624 PolarHBondContact O-N 2.95Å |
| 625 | W | 80.5 | Confident | 82 | Confident | 107 Ų | 107 | 57.4 Ų | 57.4 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -113.4 | 12.9 | 179.2 | -71.7 | 68 | 0 | 0 | 0 | 112.5 | L622 P623 H637 A638 | L622-W625 HydrophobicContact CB-CB 4.18Å; L622-W625 CarbonylContact O-C 3.59Å; L622-W625 WeakPolarHBondContact O-CA 3.35Å; L622-W625 PolarHBondContact O-N 3.4Å; P623-W625 PolarHBondContact O-N 3.31Å; P623-W625 VanDerWaalsContact O-N 3.1Å; W625-H637 CarbonylContact O-C 3.47Å; W625-H637 VanDerWaalsContact O-CA 3.3Å; W625-H637 WeakPolarHBondContact O-CA 3.41Å; W625-A638 HydrophobicContact CE3-CB 4.23Å; W625-A638 PolarHBondContact O-N 2.92Å |
| 626 | I | 84.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 124.4 | 165.8 | -64.9 | 178.3 | 0 | 0 | 0 | 108.7 | Q590 L622 P623 L628 H637 | Q590-I626 PolarHBondContact NE2-O 3.11Å; L622-I626 PolarHBondContact O-N 3.36Å; P623-I626 PolarHBondContact O-N 2.81Å; P623-I626 VanDerWaalsContact O-N 3.08Å; I626-L628 HydrophobicContact CG2-CD2 4.23Å; I626-H637 VanDerWaalsContact CG1-CD2 3.42Å; I626-H637 WeakPolarHBondContact CG1-CD2 3.17Å |
| 627 | L | 85.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.1 | 165 | -56.1 | -179.7 | 0 | 0 | 0 | 108.5 | G635 H636 A638 L641 L645 I648 P649 W653 | L627-G635 CarbonylContact O-C 3.59Å; L627-G635 WeakPolarHBondContact O-CA 3.4Å; L627-H636 PolarHBondContact N-O 2.88Å; L627-H636 PolarHBondContact O-N 2.84Å; L627-A638 HydrophobicContact CD1-CB 4.26Å; L627-A638 HydrophobicContact CG-CB 4.34Å; L627-L641 HydrophobicContact CD1-CD1 4.15Å; L627-L645 HydrophobicContact CD1-CD1 3.85Å; L627-I648 HydrophobicContact CD2-CB 4.35Å; L627-I648 HydrophobicContact CD2-CG1 4.16Å; L627-I648 HydrophobicContact CD2-CG2 3.83Å; L627-P649 HydrophobicContact CD1-CG 4.22Å; L627-W653 HydrophobicContact CB-CD2 4.04Å; L627-W653 HydrophobicContact CB-CE3 3.66Å; L627-W653 HydrophobicContact CB-CH2 4.3Å; L627-W653 HydrophobicContact CB-CZ3 3.8Å; L627-W653 HydrophobicContact CD1-CD2 4.04Å; L627-W653 HydrophobicContact CD1-CE3 4.5Å; L627-W653 HydrophobicContact CD1-CG 4.36Å; L627-W653 HydrophobicContact CD1-CZ2 4.32Å |
| 628 | L | 87.8 | Confident | 82.5 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.6 | 177.2 | -64.8 | 165.8 | 0 | 0 | 0 | 108.2 | N586 I626 D630 D633 | N586-L628 PolarHBondContact ND2-O 3.42Å; N586-L628 PolarHBondContact OD1-N 3.32Å; I626-L628 HydrophobicContact CG2-CD2 4.23Å; L628-D630 PolarHBondContact O-N 3.16Å; L628-D633 WeakPolarHBondContact CA-O 3.27Å; L628-D633 WeakPolarHBondContact CB-O 3.4Å; L628-D633 VanDerWaalsContact CD2-O 3.3Å; L628-D633 WeakPolarHBondContact CD2-O 3.31Å |
| 629 | C | 89.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.9 | -174.4 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | R631 C632 D633 W653 C655 C658 | C629-R631 PolarHBondContact O-N 2.95Å; C629-C632 PolarHBondContact O-N 3.02Å; C629-C632 VanDerWaalsContact O-N 3.14Å; C629-D633 PolarHBondContact N-O 3.23Å; C629-D633 VanDerWaalsContact N-O 3.08Å; C629-D633 VanDerWaalsContact O-CA 3.23Å; C629-D633 WeakPolarHBondContact O-CA 3.45Å; C629-D633 PolarHBondContact O-N 2.73Å; C629-W653 HydrophobicContact CB-CE3 4.46Å; C629-W653 HydrophobicContact CB-CZ3 4.13Å; C629-C655 HydrophobicContact CB-CB 4.06Å; C629-C655 PolarHBondContact SG-N 3.24Å; C629-C655 VanDerWaalsContact SG-SG 3.62Å; C629-C658 VanDerWaalsContact SG-SG 3.68Å |
| 630 | D | 88.6 | Confident | 82.8 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 12.5 | -177.1 | -64.5 | -63.4 | 0 | 0 | 0 | 114.6 | N586 L628 D652 W653 F654 | N586-D630 PolarHBondContact ND2-OD2 3.14Å; L628-D630 PolarHBondContact O-N 3.16Å; D630-D652 HydrophobicContact CB-CB 4.42Å; D630-D652 WeakPolarHBondContact OD2-CA 3.26Å; D630-W653 PolarHBondContact N-O 2.63Å; D630-W653 PolarHBondContact OD2-N 3.3Å; D630-F654 HydrophobicContact CB-CD1 4.3Å; D630-F654 HydrophobicContact CB-CE1 3.88Å |
| 631 | R | 85.8 | Confident | 83.1 | Confident | 148 Ų | 148 | 48.2 Ų | 48.2 | 56% | 0.558 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -19.7 | 173.2 | -80.4 | 170.8 | -173.5 | -91.2 | 1.2 | 115.4 | C629 F654 C658 | C629-R631 PolarHBondContact O-N 2.95Å; R631-F654 HydrophobicContact CB-CD1 4.18Å; R631-F654 VanDerWaalsContact CD-CD1 3.48Å; R631-F654 HydrophobicContact CG-CD1 3.6Å; R631-F654 HydrophobicContact CG-CE1 3.61Å; R631-C658 HydrophobicContact CB-CB 4.28Å |
| 632 | C | 89.1 | Confident | 83.2 | Confident | 47 Ų | 47 | 46 Ų | 46 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.9 | 7.7 | -176.7 | 64.3 | 0 | 0 | 0 | 0 | 114 | C629 L634 | C629-C632 PolarHBondContact O-N 3.02Å; C629-C632 VanDerWaalsContact O-N 3.14Å; C632-L634 HydrophobicContact CB-CG 4.35Å; C632-L634 WeakPolarHBondContact O-CG 3.42Å; C632-L634 PolarHBondContact O-N 3.48Å |
| 633 | D | 86.1 | Confident | 83.5 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 61 | -36.8 | -172.5 | -72.1 | -83.6 | 0 | 0 | 0 | 115.7 | R589 L628 C629 G635 | R589-D633 IonicContact CZ-OD1 3.87Å; R589-D633 IonicContact NH1-OD1 2.64Å; R589-D633 PolarHBondContact NH1-OD1 2.87Å; R589-D633 IonicContact NH2-OD1 2.72Å; R589-D633 PolarHBondContact NH2-OD1 2.76Å; L628-D633 WeakPolarHBondContact CA-O 3.27Å; L628-D633 WeakPolarHBondContact CB-O 3.4Å; L628-D633 VanDerWaalsContact CD2-O 3.3Å; L628-D633 WeakPolarHBondContact CD2-O 3.31Å; C629-D633 PolarHBondContact N-O 3.23Å; C629-D633 VanDerWaalsContact N-O 3.08Å; C629-D633 VanDerWaalsContact O-CA 3.23Å; C629-D633 WeakPolarHBondContact O-CA 3.45Å; C629-D633 PolarHBondContact O-N 2.73Å; D633-G635 PolarHBondContact O-N 2.91Å |
| 634 | L | 85.2 | Confident | 84 | Confident | 47 Ų | 47 | 44 Ų | 44 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -32.1 | 114.6 | -172.1 | -62.8 | -175.9 | 0 | 0 | 0 | 115.3 | E612 Q615 C632 H636 | E612-L634 WeakPolarHBondContact OE2-CA 3.5Å; E612-L634 PolarHBondContact OE2-N 3.19Å; Q615-L634 HydrophobicContact CG-CB 3.84Å; Q615-L634 HydrophobicContact CG-CD1 4.05Å; Q615-L634 HydrophobicContact CG-CG 4.36Å; C632-L634 HydrophobicContact CB-CG 4.35Å; C632-L634 WeakPolarHBondContact O-CG 3.42Å; C632-L634 PolarHBondContact O-N 3.48Å; L634-H636 PolarHBondContact O-CE1 3.4Å; L634-H636 PolarHBondContact O-ND1 3.4Å |
| 635 | G | 87 | Confident | 84.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 138.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E612 C614 Q615 L627 D633 | E612-G635 PolarHBondContact OE2-N 3.05Å; C614-G635 VanDerWaalsContact CA-O 3.27Å; C614-G635 WeakPolarHBondContact CA-O 3.34Å; Q615-G635 PolarHBondContact N-O 2.89Å; Q615-G635 VanDerWaalsContact N-O 3.09Å; L627-G635 CarbonylContact O-C 3.59Å; L627-G635 WeakPolarHBondContact O-CA 3.4Å; D633-G635 PolarHBondContact O-N 2.91Å |
| 636 | H | 85.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 127.5 | 172.2 | -65.6 | 69.2 | 0 | 0 | 0 | 109.7 | L236 L627 L634 A638 L641 W653 C655 | L236-H636 WeakPolarHBondContact CD1-NE2 3.2Å; L627-H636 PolarHBondContact N-O 2.88Å; L627-H636 PolarHBondContact O-N 2.84Å; L634-H636 PolarHBondContact O-CE1 3.4Å; L634-H636 PolarHBondContact O-ND1 3.4Å; H636-A638 PolarHBondContact O-N 3.44Å; H636-L641 HydrophobicContact CB-CD2 4.23Å; H636-W653 HydrophobicContact CB-CH2 3.67Å; H636-W653 HydrophobicContact CB-CZ3 4.22Å; H636-W653 AromaticContact CG-CH2 3.75Å; H636-W653 AromaticContact ND1-CH2 3.94Å; H636-C655 WeakPolarHBondContact CE1-CB 3.37Å |
| 637 | H | 86.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136.6 | 170.9 | -48.6 | 110.1 | 0 | 0 | 0 | 109.8 | C614 C617 K619 H621 W625 I626 M639 C640 | C614-H637 WeakPolarHBondContact CB-CE1 3.43Å; C614-H637 WeakPolarHBondContact CB-ND1 3.26Å; C614-H637 PolarHBondContact SG-N 3.14Å; C614-H637 VanDerWaalsContact SG-N 3.38Å; C614-H637 PolarHBondContact SG-ND1 2.9Å; C614-H637 VanDerWaalsContact SG-ND1 3.38Å; C617-H637 PolarHBondContact SG-CE1 3.23Å; C617-H637 PolarHBondContact SG-ND1 3.1Å; C617-H637 VanDerWaalsContact SG-ND1 3.44Å; K619-H637 PolarHBondContact O-CE1 2.8Å; K619-H637 PolarHBondContact O-NE2 2.91Å; H621-H637 AromaticContact CE1-CE1 3.21Å; H621-H637 PolarHBondContact CE1-CE1 3.08Å; H621-H637 AromaticContact CE1-ND1 3.57Å; H621-H637 AromaticContact CE1-NE2 3.63Å; H621-H637 AromaticContact ND1-CD2 3.81Å; H621-H637 AromaticContact ND1-CE1 3.12Å; H621-H637 PolarHBondContact ND1-CE1 3.44Å; H621-H637 AromaticContact ND1-ND1 3.84Å; H621-H637 AromaticContact ND1-NE2 3.08Å; H621-H637 PolarHBondContact ND1-NE2 3.38Å; H621-H637 PolarHBondContact O-CD2 3.27Å; H621-H637 PolarHBondContact O-NE2 3.29Å; W625-H637 CarbonylContact O-C 3.47Å; W625-H637 VanDerWaalsContact O-CA 3.3Å; W625-H637 WeakPolarHBondContact O-CA 3.41Å; I626-H637 VanDerWaalsContact CG1-CD2 3.42Å; I626-H637 WeakPolarHBondContact CG1-CD2 3.17Å; H637-M639 PolarHBondContact O-N 3.29Å; H637-C640 HydrophobicContact CB-CB 4Å; H637-C640 PolarHBondContact ND1-SG 3.39Å; H637-C640 VanDerWaalsContact ND1-SG 3.35Å; H637-C640 PolarHBondContact O-N 2.69Å |
| 638 | A | 85 | Confident | 84.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -51.3 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | W625 L627 H636 C640 L641 L645 | W625-A638 HydrophobicContact CE3-CB 4.23Å; W625-A638 PolarHBondContact O-N 2.92Å; L627-A638 HydrophobicContact CD1-CB 4.26Å; L627-A638 HydrophobicContact CG-CB 4.34Å; H636-A638 PolarHBondContact O-N 3.44Å; A638-C640 VanDerWaalsContact C-N 3.32Å; A638-C640 PolarHBondContact O-N 3.39Å; A638-L641 PolarHBondContact O-N 3.28Å; A638-L645 HydrophobicContact CB-CB 4.02Å; A638-L645 WeakPolarHBondContact CB-O 3.43Å; A638-L645 PolarHBondContact O-N 2.79Å |
| 639 | M | 83.6 | Confident | 84 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 49% | 0.493 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -76.4 | -7 | 177.2 | -68 | -62.4 | -58.9 | 0 | 0 | 115.4 | H637 P644 H646 | H637-M639 PolarHBondContact O-N 3.29Å; M639-P644 HydrophobicContact CE-CB 4.23Å; M639-P644 HydrophobicContact SD-CB 4.25Å; M639-H646 PolarHBondContact SD-ND1 3.38Å |
| 640 | C | 82.2 | Confident | 83.5 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -98.6 | -1.3 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 113.3 | V616 H637 A638 | V616-C640 HydrophobicContact CB-CB 4.03Å; V616-C640 HydrophobicContact CG1-CB 4.23Å; V616-C640 HydrophobicContact CG2-CB 4.43Å; H637-C640 HydrophobicContact CB-CB 4Å; H637-C640 PolarHBondContact ND1-SG 3.39Å; H637-C640 VanDerWaalsContact ND1-SG 3.35Å; H637-C640 PolarHBondContact O-N 2.69Å; A638-C640 VanDerWaalsContact C-N 3.32Å; A638-C640 PolarHBondContact O-N 3.39Å |
| 641 | L | 82.6 | Confident | 83.2 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -78.9 | 167 | 173.4 | -60.9 | 170.7 | 0 | 0 | 0 | 110.7 | L627 H636 A638 P643 P644 L645 W653 P656 | L627-L641 HydrophobicContact CD1-CD1 4.15Å; H636-L641 HydrophobicContact CB-CD2 4.23Å; A638-L641 PolarHBondContact O-N 3.28Å; L641-P643 CarbonylContact C-O 3.2Å; L641-P643 CarbonylContact O-C 3.25Å; L641-P644 WeakPolarHBondContact O-CA 3.41Å; L641-L645 HydrophobicContact CD1-CD1 3.59Å; L641-L645 HydrophobicContact CD1-CG 3.89Å; L641-W653 HydrophobicContact CD1-CH2 4.41Å; L641-W653 HydrophobicContact CD1-CZ2 3.59Å; L641-W653 HydrophobicContact CD2-CH2 4.21Å; L641-W653 HydrophobicContact CD2-CZ2 3.85Å; L641-W653 HydrophobicContact CG-CZ2 4.38Å; L641-P656 HydrophobicContact CD2-CG 4.14Å |
| 642 | S | 73.1 | Confident | 83.2 | Confident | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -130.5 | 109 | 174.2 | -66.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 643 | P | 78.4 | Confident | 83.2 | Confident | 80 Ų | 80 | 54.9 Ų | 54.9 | 52% | 0.519 | 30% | 0.299 | S | S | . | . | S | Bend | cis | -64.9 | 154.6 | -3.9 | 29.5 | -36.2 | 0 | 0 | 0 | 113.2 | L641 | L641-P643 CarbonylContact C-O 3.2Å; L641-P643 CarbonylContact O-C 3.25Å |
| 644 | P | 82.1 | Confident | 83.3 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.1 | 172.1 | -23 | 34.6 | 0 | 0 | 0 | 111.7 | M639 L641 | M639-P644 HydrophobicContact CE-CB 4.23Å; M639-P644 HydrophobicContact SD-CB 4.25Å; L641-P644 WeakPolarHBondContact O-CA 3.41Å |
| 645 | L | 83.2 | Confident | 83.4 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 121.9 | 175.1 | -63.6 | -176.7 | 0 | 0 | 0 | 110.4 | L627 A638 L641 P649 | L627-L645 HydrophobicContact CD1-CD1 3.85Å; A638-L645 HydrophobicContact CB-CB 4.02Å; A638-L645 WeakPolarHBondContact CB-O 3.43Å; A638-L645 PolarHBondContact O-N 2.79Å; L641-L645 HydrophobicContact CD1-CD1 3.59Å; L641-L645 HydrophobicContact CD1-CG 3.89Å; L645-P649 HydrophobicContact CD1-CG 4.41Å |
| 646 | H | 80.2 | Confident | 83.4 | Confident | 128 Ų | 128 | 52.8 Ų | 52.8 | 59% | 0.593 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -93 | -8.8 | 176.5 | -61.3 | -43.8 | 0 | 0 | 0 | 113.8 | M639 | M639-H646 PolarHBondContact SD-ND1 3.38Š|
| 647 | I | 83.8 | Confident | 83.4 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -133.7 | 140.3 | 177.2 | -52.7 | -177.7 | 0 | 0 | 0 | 106.7 | L313 | L313-I647 HydrophobicContact CD2-CD1 4.19Š|
| 648 | I | 83 | Confident | 83.6 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 124.3 | 173.3 | -66.4 | 164.3 | 0 | 0 | 0 | 107.6 | L627 | L627-I648 HydrophobicContact CD2-CB 4.35Å; L627-I648 HydrophobicContact CD2-CG1 4.16Å; L627-I648 HydrophobicContact CD2-CG2 3.83Å |
| 649 | P | 82.7 | Confident | 83.8 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 138 | -178.1 | 26.7 | -32.7 | 0 | 0 | 0 | 111.2 | L627 L645 W653 | L627-P649 HydrophobicContact CD1-CG 4.22Å; L645-P649 HydrophobicContact CD1-CG 4.41Å; P649-W653 HydrophobicContact CG-CB 4.13Å; P649-W653 HydrophobicContact CG-CG 4Å |
| 650 | E | 79.4 | Confident | 84.1 | Confident | 194 Ų | 194 | 53.8 Ų | 53.8 | 91% | 0.907 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -78 | 138.2 | 171.9 | -66.1 | 172.1 | -173 | 0 | 0 | 109.9 | ||
| 651 | G | 82.4 | Confident | 84.5 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 100.9 | -151.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 652 | D | 85.8 | Confident | 84.9 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | trans | -88.8 | 135.4 | 175.5 | -66.5 | -26.8 | 0 | 0 | 0 | 110.2 | R585 D630 F654 | R585-D652 IonicContact CZ-OD1 3.66Å; R585-D652 IonicContact NH1-OD1 2.9Å; R585-D652 PolarHBondContact NH1-OD1 3.26Å; R585-D652 IonicContact NH1-OD2 3.26Å; R585-D652 PolarHBondContact NH1-OD2 3.24Å; D630-D652 HydrophobicContact CB-CB 4.42Å; D630-D652 WeakPolarHBondContact OD2-CA 3.26Å; D652-F654 HydrophobicContact CB-CZ 4.18Å | ||
| 653 | W | 88 | Confident | 85.8 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 8% | 0.083 | 30% | 0.296 | C | S | . | . | trans | -120 | 134.3 | -179.4 | -179.3 | 79.2 | 0 | 0 | 0 | 112.3 | L627 C629 D630 H636 L641 P649 C655 | L627-W653 HydrophobicContact CB-CD2 4.04Å; L627-W653 HydrophobicContact CB-CE3 3.66Å; L627-W653 HydrophobicContact CB-CH2 4.3Å; L627-W653 HydrophobicContact CB-CZ3 3.8Å; L627-W653 HydrophobicContact CD1-CD2 4.04Å; L627-W653 HydrophobicContact CD1-CE3 4.5Å; L627-W653 HydrophobicContact CD1-CG 4.36Å; L627-W653 HydrophobicContact CD1-CZ2 4.32Å; C629-W653 HydrophobicContact CB-CE3 4.46Å; C629-W653 HydrophobicContact CB-CZ3 4.13Å; D630-W653 PolarHBondContact N-O 2.63Å; D630-W653 PolarHBondContact OD2-N 3.3Å; H636-W653 HydrophobicContact CB-CH2 3.67Å; H636-W653 HydrophobicContact CB-CZ3 4.22Å; H636-W653 AromaticContact CG-CH2 3.75Å; H636-W653 AromaticContact ND1-CH2 3.94Å; L641-W653 HydrophobicContact CD1-CH2 4.41Å; L641-W653 HydrophobicContact CD1-CZ2 3.59Å; L641-W653 HydrophobicContact CD2-CH2 4.21Å; L641-W653 HydrophobicContact CD2-CZ2 3.85Å; L641-W653 HydrophobicContact CG-CZ2 4.38Å; P649-W653 HydrophobicContact CG-CB 4.13Å; P649-W653 HydrophobicContact CG-CG 4Å; W653-C655 VanDerWaalsContact CH2-CA 3.47Å; W653-C655 HydrophobicContact CH2-CB 3.54Å; W653-C655 HydrophobicContact CZ2-CB 4.28Å; W653-C655 HydrophobicContact CZ3-CB 3.91Å | ||
| 654 | F | 88.4 | Confident | 86.5 | Confident | 54 Ų | 54 | 51.3 Ų | 51.3 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | trans | -117.8 | 134.5 | 178.3 | -51.5 | -55.9 | 0 | 0 | 0 | 110.6 | D630 R631 D652 C658 Q659 | D630-F654 HydrophobicContact CB-CD1 4.3Å; D630-F654 HydrophobicContact CB-CE1 3.88Å; R631-F654 HydrophobicContact CB-CD1 4.18Å; R631-F654 VanDerWaalsContact CD-CD1 3.48Å; R631-F654 HydrophobicContact CG-CD1 3.6Å; R631-F654 HydrophobicContact CG-CE1 3.61Å; D652-F654 HydrophobicContact CB-CZ 4.18Å; F654-C658 HydrophobicContact CB-CB 4.18Å; F654-Q659 HydrophobicContact CB-CG 3.95Å; F654-Q659 VanDerWaalsContact O-CD 3.31Å; F654-Q659 WeakPolarHBondContact O-CG 3.4Å; F654-Q659 PolarHBondContact O-NE2 2.83Å | ||
| 655 | C | 88.6 | Confident | 87 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -70.7 | 161 | 177.2 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | C629 H636 W653 R657 C658 Q659 | C629-C655 HydrophobicContact CB-CB 4.06Å; C629-C655 PolarHBondContact SG-N 3.24Å; C629-C655 VanDerWaalsContact SG-SG 3.62Å; H636-C655 WeakPolarHBondContact CE1-CB 3.37Å; W653-C655 VanDerWaalsContact CH2-CA 3.47Å; W653-C655 HydrophobicContact CH2-CB 3.54Å; W653-C655 HydrophobicContact CZ2-CB 4.28Å; W653-C655 HydrophobicContact CZ3-CB 3.91Å; C655-R657 PolarHBondContact O-N 3.49Å; C655-R657 VanDerWaalsContact O-N 3.09Å; C655-C658 WeakPolarHBondContact O-CA 3.39Å; C655-C658 PolarHBondContact O-N 2.93Å; C655-Q659 PolarHBondContact O-N 2.86Å | ||
| 656 | P | 86.2 | Confident | 87.4 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.1 | -33.1 | -175.9 | -29.5 | 36.6 | 0 | 0 | 0 | 114.6 | L641 H660 | L641-P656 HydrophobicContact CD2-CG 4.14Å; P656-H660 WeakPolarHBondContact O-CB 3.39Å; P656-H660 PolarHBondContact O-N 2.91Å |
| 657 | R | 87.1 | Confident | 88 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -46 | 172.4 | -71.4 | -178.3 | 157.9 | -176.1 | -13.9 | 112.2 | F230 E234 L236 C655 A661 | F230-R657 HydrophobicContact CE1-CG 4.47Å; F230-R657 HydrophobicContact CE2-CG 3.92Å; F230-R657 HydrophobicContact CZ-CB 4.35Å; F230-R657 HydrophobicContact CZ-CG 3.64Å; E234-R657 PolarHBondContact O-NH2 3.3Å; L236-R657 HydrophobicContact CD1-CG 4.13Å; L236-R657 HydrophobicContact CD2-CG 3.85Å; L236-R657 HydrophobicContact CG-CG 4.06Å; C655-R657 PolarHBondContact O-N 3.49Å; C655-R657 VanDerWaalsContact O-N 3.09Å; R657-A661 VanDerWaalsContact O-CB 3.31Å; R657-A661 WeakPolarHBondContact O-CB 3.38Å; R657-A661 PolarHBondContact O-N 3.35Å |
| 658 | C | 89.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.2 | -34.9 | -179.7 | -68.7 | 0 | 0 | 0 | 0 | 112.4 | C629 R631 F654 C655 T662 | C629-C658 VanDerWaalsContact SG-SG 3.68Å; R631-C658 HydrophobicContact CB-CB 4.28Å; F654-C658 HydrophobicContact CB-CB 4.18Å; C655-C658 WeakPolarHBondContact O-CA 3.39Å; C655-C658 PolarHBondContact O-N 2.93Å; C658-T662 WeakPolarHBondContact O-CG2 3.44Å; C658-T662 PolarHBondContact O-N 3.14Å; C658-T662 PolarHBondContact O-OG1 3.48Å |
| 659 | Q | 89.4 | Confident | 88.9 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 171.9 | -69.1 | 178.6 | -35.4 | 0 | 0 | 110.9 | I180 F654 C655 T662 L663 | I180-Q659 CarbonylContact O-C 3.4Å; I180-Q659 VanDerWaalsContact O-C 3.25Å; F654-Q659 HydrophobicContact CB-CG 3.95Å; F654-Q659 VanDerWaalsContact O-CD 3.31Å; F654-Q659 WeakPolarHBondContact O-CG 3.4Å; F654-Q659 PolarHBondContact O-NE2 2.83Å; C655-Q659 PolarHBondContact O-N 2.86Å; Q659-T662 WeakPolarHBondContact CA-OG1 3.48Å; Q659-T662 PolarHBondContact O-N 3.25Å; Q659-T662 PolarHBondContact O-OG1 3Å; Q659-L663 PolarHBondContact O-N 2.7Å |
| 660 | H | 90 | Very high | 89.3 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 176.6 | 176.9 | 79.5 | 0 | 0 | 0 | 113.3 | I180 V182 L226 F230 P656 T662 L663 I664 | I180-H660 WeakPolarHBondContact O-CA 3.08Å; I180-H660 PolarHBondContact O-N 3.34Å; V182-H660 HydrophobicContact CG2-CB 3.55Å; L226-H660 PolarHBondContact O-CE1 3.23Å; L226-H660 PolarHBondContact O-NE2 3.28Å; F230-H660 WeakPolarHBondContact CB-NE2 3.49Å; F230-H660 AromaticContact CD1-CD2 3.85Å; F230-H660 AromaticContact CG-CD2 3.94Å; P656-H660 WeakPolarHBondContact O-CB 3.39Å; P656-H660 PolarHBondContact O-N 2.91Å; H660-T662 VanDerWaalsContact C-N 3.31Å; H660-T662 PolarHBondContact O-N 3.46Å; H660-L663 WeakPolarHBondContact O-CB 3.36Å; H660-L663 PolarHBondContact O-N 3.29Å; H660-I664 VanDerWaalsContact NE2-CD1 3.33Å; H660-I664 WeakPolarHBondContact NE2-CD1 3.28Å; H660-I664 PolarHBondContact O-N 2.85Å |
| 661 | A | 90.3 | Very high | 89.9 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.8 | -34.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R657 S665 | R657-A661 VanDerWaalsContact O-CB 3.31Å; R657-A661 WeakPolarHBondContact O-CB 3.38Å; R657-A661 PolarHBondContact O-N 3.35Å; A661-S665 WeakPolarHBondContact O-CB 3.36Å; A661-S665 PolarHBondContact O-N 3.35Å; A661-S665 VanDerWaalsContact O-N 3.15Å; A661-S665 PolarHBondContact O-OG 2.87Å |
| 662 | T | 91.5 | Very high | 90.4 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 29% | 0.288 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.2 | -39.2 | 172.3 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | C658 Q659 H660 S665 A666 | C658-T662 WeakPolarHBondContact O-CG2 3.44Å; C658-T662 PolarHBondContact O-N 3.14Å; C658-T662 PolarHBondContact O-OG1 3.48Å; Q659-T662 WeakPolarHBondContact CA-OG1 3.48Å; Q659-T662 PolarHBondContact O-N 3.25Å; Q659-T662 PolarHBondContact O-OG1 3Å; H660-T662 VanDerWaalsContact C-N 3.31Å; H660-T662 PolarHBondContact O-N 3.46Å; T662-S665 PolarHBondContact O-N 3.1Å; T662-S665 VanDerWaalsContact O-N 3.14Å; T662-A666 WeakPolarHBondContact O-CB 3.5Å; T662-A666 PolarHBondContact O-N 3.08Å |
| 663 | L | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 171.3 | 171.4 | 62.4 | 0 | 0 | 0 | 111.8 | D181 Y187 L226 Q659 H660 S665 A666 L667 | D181-L663 HydrophobicContact CB-CD2 4.11Å; Y187-L663 HydrophobicContact CD2-CD1 4.32Å; Y187-L663 HydrophobicContact CD2-CD2 3.56Å; Y187-L663 HydrophobicContact CE2-CD2 3.85Å; Y187-L663 HydrophobicContact CG-CD1 4.08Å; Y187-L663 HydrophobicContact CG-CD2 4.07Å; L226-L663 HydrophobicContact CD1-CD2 4.35Å; Q659-L663 PolarHBondContact O-N 2.7Å; H660-L663 WeakPolarHBondContact O-CB 3.36Å; H660-L663 PolarHBondContact O-N 3.29Å; L663-S665 PolarHBondContact O-N 3.13Å; L663-A666 PolarHBondContact O-N 3Å; L663-L667 HydrophobicContact CD1-CD1 3.72Å; L663-L667 HydrophobicContact CD1-CG 3.95Å; L663-L667 HydrophobicContact CG-CD1 3.87Å; L663-L667 WeakPolarHBondContact O-CB 3.3Å; L663-L667 WeakPolarHBondContact O-CG 3.49Å; L663-L667 PolarHBondContact O-N 3.47Å |
| 664 | I | 92.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -34.6 | 176.5 | -74.4 | 176.2 | 0 | 0 | 0 | 111.6 | L226 K227 H660 K668 | L226-I664 HydrophobicContact CB-CD1 4.12Å; L226-I664 HydrophobicContact CB-CG1 4.11Å; K227-I664 HydrophobicContact CG-CD1 4.13Å; H660-I664 VanDerWaalsContact NE2-CD1 3.33Å; H660-I664 WeakPolarHBondContact NE2-CD1 3.28Å; H660-I664 PolarHBondContact O-N 2.85Å; I664-K668 HydrophobicContact CG2-CD 4.37Å; I664-K668 WeakPolarHBondContact O-CD 3.34Å; I664-K668 VanDerWaalsContact O-CG 3.24Å; I664-K668 WeakPolarHBondContact O-CG 3.39Å; I664-K668 PolarHBondContact O-N 3.02Å |
| 665 | S | 92.4 | Very high | 91.1 | Very high | 63 Ų | 63 | 39.9 Ų | 39.9 | 44% | 0.441 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -74.3 | -46.5 | 178.8 | -58 | 0 | 0 | 0 | 0 | 111.7 | A661 T662 L663 L667 K668 E669 | A661-S665 WeakPolarHBondContact O-CB 3.36Å; A661-S665 PolarHBondContact O-N 3.35Å; A661-S665 VanDerWaalsContact O-N 3.15Å; A661-S665 PolarHBondContact O-OG 2.87Å; T662-S665 PolarHBondContact O-N 3.1Å; T662-S665 VanDerWaalsContact O-N 3.14Å; L663-S665 PolarHBondContact O-N 3.13Å; S665-L667 PolarHBondContact O-N 2.99Å; S665-K668 WeakPolarHBondContact O-CB 3.48Å; S665-K668 PolarHBondContact O-N 2.9Å; S665-E669 PolarHBondContact O-N 3Å |
| 666 | A | 92.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 41.6 Ų | 41.6 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L178 T662 L663 E669 T670 | L178-A666 HydrophobicContact CD1-CB 3.82Å; L178-A666 HydrophobicContact CG-CB 4.28Å; T662-A666 WeakPolarHBondContact O-CB 3.5Å; T662-A666 PolarHBondContact O-N 3.08Å; L663-A666 PolarHBondContact O-N 3Å; A666-E669 PolarHBondContact O-N 2.9Å; A666-T670 WeakPolarHBondContact O-CB 3.33Å; A666-T670 WeakPolarHBondContact O-CG2 3.33Å; A666-T670 PolarHBondContact O-N 2.85Å; A666-T670 PolarHBondContact O-OG1 3.02Å |
| 667 | L | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -43.5 | 172.1 | -78.9 | 167.1 | 0 | 0 | 0 | 112 | L178 L199 V219 I223 L226 L663 S665 T670 I671 | L178-L667 HydrophobicContact CD2-CD2 3.52Å; L178-L667 HydrophobicContact CD2-CG 3.98Å; L199-L667 HydrophobicContact CD2-CD2 3.82Å; V219-L667 HydrophobicContact CG1-CD2 3.82Å; I223-L667 HydrophobicContact CD1-CB 3.72Å; I223-L667 HydrophobicContact CG1-CB 3.7Å; I223-L667 HydrophobicContact CG1-CD1 4.16Å; I223-L667 HydrophobicContact CG1-CG 4.48Å; L226-L667 HydrophobicContact CD1-CD1 3.65Å; L663-L667 HydrophobicContact CD1-CD1 3.72Å; L663-L667 HydrophobicContact CD1-CG 3.95Å; L663-L667 HydrophobicContact CG-CD1 3.87Å; L663-L667 WeakPolarHBondContact O-CB 3.3Å; L663-L667 WeakPolarHBondContact O-CG 3.49Å; L663-L667 PolarHBondContact O-N 3.47Å; S665-L667 PolarHBondContact O-N 2.99Å; L667-T670 PolarHBondContact O-OG1 2.99Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 3.31Å; L667-I671 VanDerWaalsContact O-N 3.14Å |
| 668 | K | 92.8 | Very high | 91.4 | Very high | 99 Ų | 99 | 42.4 Ų | 42.4 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.2 | -70 | 163.1 | -173.3 | 169 | 0 | 111.8 | I223 I664 S665 I671 T672 | I223-K668 HydrophobicContact CD1-CG 4.33Å; I223-K668 HydrophobicContact CG2-CG 4.16Å; I664-K668 HydrophobicContact CG2-CD 4.37Å; I664-K668 WeakPolarHBondContact O-CD 3.34Å; I664-K668 VanDerWaalsContact O-CG 3.24Å; I664-K668 WeakPolarHBondContact O-CG 3.39Å; I664-K668 PolarHBondContact O-N 3.02Å; S665-K668 WeakPolarHBondContact O-CB 3.48Å; S665-K668 PolarHBondContact O-N 2.9Å; K668-I671 PolarHBondContact O-N 3.25Å; K668-T672 PolarHBondContact O-N 3.11Å |
| 669 | E | 93.2 | Very high | 91.4 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 61% | 0.612 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.4 | -44.3 | -178.2 | -174.9 | 173.4 | -175.6 | 0 | 0 | 112.1 | S665 A666 I671 T672 V673 | S665-E669 PolarHBondContact O-N 3Å; A666-E669 PolarHBondContact O-N 2.9Å; E669-I671 VanDerWaalsContact C-N 3.34Å; E669-I671 PolarHBondContact O-N 2.82Å; E669-T672 PolarHBondContact O-N 2.98Å; E669-T672 PolarHBondContact O-OG1 3.2Å; E669-V673 WeakPolarHBondContact O-CG2 3.41Å; E669-V673 PolarHBondContact O-N 3.14Å |
| 670 | T | 91.6 | Very high | 91.3 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 23% | 0.233 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.1 | 51 | 0 | 0 | 0 | 0 | 112.1 | L178 L189 A666 L667 L674 | L178-T670 HydrophobicContact CD1-CG2 3.82Å; L189-T670 HydrophobicContact CD2-CG2 4.28Å; A666-T670 WeakPolarHBondContact O-CB 3.33Å; A666-T670 WeakPolarHBondContact O-CG2 3.33Å; A666-T670 PolarHBondContact O-N 2.85Å; A666-T670 PolarHBondContact O-OG1 3.02Å; L667-T670 PolarHBondContact O-OG1 2.99Å; T670-L674 VanDerWaalsContact O-CB 3.25Å; T670-L674 WeakPolarHBondContact O-CB 3.19Å; T670-L674 WeakPolarHBondContact O-CD1 3.4Å; T670-L674 WeakPolarHBondContact O-CG 3.49Å; T670-L674 PolarHBondContact O-N 3.19Å |
| 671 | I | 92.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -50 | 171.8 | -70.3 | 175.1 | 0 | 0 | 0 | 111.4 | F216 V219 R220 I223 L667 K668 E669 V673 L674 E675 | F216-I671 HydrophobicContact CD1-CG2 4.49Å; V219-I671 HydrophobicContact CB-CD1 3.85Å; V219-I671 HydrophobicContact CB-CG1 4.36Å; V219-I671 HydrophobicContact CG1-CD1 3.77Å; V219-I671 HydrophobicContact CG1-CG1 4.18Å; R220-I671 HydrophobicContact CG-CD1 4.27Å; I223-I671 HydrophobicContact CD1-CD1 3.41Å; I223-I671 VanDerWaalsContact CD1-CD1 3.41Å; I223-I671 HydrophobicContact CD1-CG1 4.49Å; L667-I671 WeakPolarHBondContact O-CG1 3.49Å; L667-I671 PolarHBondContact O-N 3.31Å; L667-I671 VanDerWaalsContact O-N 3.14Å; K668-I671 PolarHBondContact O-N 3.25Å; E669-I671 VanDerWaalsContact C-N 3.34Å; E669-I671 PolarHBondContact O-N 2.82Å; I671-V673 VanDerWaalsContact C-N 3.34Å; I671-V673 PolarHBondContact O-N 3.22Å; I671-L674 PolarHBondContact O-N 3.47Å; I671-E675 HydrophobicContact CG2-CG 4.23Å; I671-E675 WeakPolarHBondContact O-CB 3.47Å; I671-E675 WeakPolarHBondContact O-CG 3.34Å; I671-E675 PolarHBondContact O-N 2.9Å |
| 672 | T | 92.3 | Very high | 90.9 | Very high | 92 Ų | 92 | 56 Ų | 56 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | -175.2 | 58.1 | 0 | 0 | 0 | 0 | 112 | K668 E669 A676 | K668-T672 PolarHBondContact O-N 3.11Å; E669-T672 PolarHBondContact O-N 2.98Å; E669-T672 PolarHBondContact O-OG1 3.2Å; T672-A676 WeakPolarHBondContact O-CB 3.38Å; T672-A676 PolarHBondContact O-N 3.14Å; T672-A676 VanDerWaalsContact O-N 3.08Å |
| 673 | V | 92.5 | Very high | 90.6 | Very high | 71 Ų | 71 | 57.1 Ų | 57.1 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.1 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | E669 I671 A676 E677 | E669-V673 WeakPolarHBondContact O-CG2 3.41Å; E669-V673 PolarHBondContact O-N 3.14Å; I671-V673 VanDerWaalsContact C-N 3.34Å; I671-V673 PolarHBondContact O-N 3.22Å; V673-A676 WeakPolarHBondContact O-CB 3.44Å; V673-A676 PolarHBondContact O-N 3.41Å; V673-E677 PolarHBondContact O-N 3.45Å |
| 674 | L | 91.4 | Very high | 90.1 | Very high | 8 Ų | 8 | 63.7 Ų | 63.7 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | -177.1 | -68.2 | 168.3 | 0 | 0 | 0 | 113 | L189 K191 I197 F216 T670 I671 A676 E677 S678 | L189-L674 HydrophobicContact CD2-CD1 4.06Å; K191-L674 HydrophobicContact CB-CD2 4.46Å; K191-L674 HydrophobicContact CD-CD2 3.37Å; I197-L674 HydrophobicContact CG2-CD1 4.2Å; F216-L674 HydrophobicContact CE1-CB 3.59Å; F216-L674 HydrophobicContact CE1-CD1 4.41Å; F216-L674 HydrophobicContact CZ-CB 4.14Å; T670-L674 VanDerWaalsContact O-CB 3.25Å; T670-L674 WeakPolarHBondContact O-CB 3.19Å; T670-L674 WeakPolarHBondContact O-CD1 3.4Å; T670-L674 WeakPolarHBondContact O-CG 3.49Å; T670-L674 PolarHBondContact O-N 3.19Å; I671-L674 PolarHBondContact O-N 3.47Å; L674-A676 VanDerWaalsContact C-N 3.33Å; L674-E677 PolarHBondContact O-N 3.42Å; L674-S678 VanDerWaalsContact O-CB 3.26Å; L674-S678 WeakPolarHBondContact O-CB 3.35Å; L674-S678 PolarHBondContact O-N 2.74Å |
| 675 | E | 91.9 | Very high | 89.8 | Confident | 42 Ų | 42 | 66 Ų | 66 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 169.8 | -78.4 | -157.6 | 164.5 | 0 | 0 | 111.7 | F216 R220 I671 S678 K679 | F216-E675 HydrophobicContact CD1-CG 4.33Å; F216-E675 HydrophobicContact CG-CG 4.47Å; R220-E675 IonicContact CZ-OE1 2.69Å; R220-E675 VanDerWaalsContact CZ-OE1 3.26Å; R220-E675 IonicContact NH1-OE1 3.59Å; R220-E675 PolarHBondContact NH1-OE1 2.84Å; R220-E675 IonicContact NH2-OE1 3.15Å; R220-E675 PolarHBondContact NH2-OE1 3.01Å; R220-E675 IonicContact NH2-OE2 2.92Å; I671-E675 HydrophobicContact CG2-CG 4.23Å; I671-E675 WeakPolarHBondContact O-CB 3.47Å; I671-E675 WeakPolarHBondContact O-CG 3.34Å; I671-E675 PolarHBondContact O-N 2.9Å; E675-S678 PolarHBondContact O-N 3.06Å; E675-K679 WeakPolarHBondContact O-CB 3.48Å; E675-K679 WeakPolarHBondContact O-CD 3.49Å; E675-K679 WeakPolarHBondContact O-CG 3.46Å; E675-K679 PolarHBondContact O-N 2.69Å; E675-K679 IonicContact OE2-NZ 3.76Å; E675-K679 PolarHBondContact OE2-NZ 3.3Å |
| 676 | A | 90.5 | Very high | 89.3 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 31% | 0.314 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T672 V673 L674 K680 | T672-A676 WeakPolarHBondContact O-CB 3.38Å; T672-A676 PolarHBondContact O-N 3.14Å; T672-A676 VanDerWaalsContact O-N 3.08Å; V673-A676 WeakPolarHBondContact O-CB 3.44Å; V673-A676 PolarHBondContact O-N 3.41Å; L674-A676 VanDerWaalsContact C-N 3.33Å; A676-K680 WeakPolarHBondContact O-CB 3.23Å; A676-K680 WeakPolarHBondContact O-CG 3.49Å; A676-K680 PolarHBondContact O-N 3.04Å |
| 677 | E | 89.9 | Confident | 88.8 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 171 | -68.9 | -171.7 | 168.8 | 0 | 0 | 111.7 | K191 I195 V673 L674 K680 R681 | K191-E677 IonicContact NZ-OE1 2.67Å; K191-E677 PolarHBondContact NZ-OE1 2.9Å; K191-E677 IonicContact NZ-OE2 2.63Å; K191-E677 PolarHBondContact NZ-OE2 2.93Å; I195-E677 HydrophobicContact CD1-CB 3.42Å; I195-E677 VanDerWaalsContact CD1-CB 3.42Å; I195-E677 HydrophobicContact CG1-CB 4.44Å; V673-E677 PolarHBondContact O-N 3.45Å; L674-E677 PolarHBondContact O-N 3.42Å; E677-K680 WeakPolarHBondContact O-CB 3.37Å; E677-K680 PolarHBondContact O-N 3.27Å; E677-R681 PolarHBondContact O-N 3.42Å |
| 678 | S | 88.8 | Confident | 88.4 | Confident | 28 Ų | 28 | 71.2 Ų | 71.2 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 179.7 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | L674 E675 K680 R681 N682 | L674-S678 VanDerWaalsContact O-CB 3.26Å; L674-S678 WeakPolarHBondContact O-CB 3.35Å; L674-S678 PolarHBondContact O-N 2.74Å; E675-S678 PolarHBondContact O-N 3.06Å; S678-K680 PolarHBondContact O-N 3.11Å; S678-R681 PolarHBondContact O-N 3.09Å; S678-N682 WeakPolarHBondContact O-CB 3.5Å; S678-N682 VanDerWaalsContact O-CG 3.28Å; S678-N682 PolarHBondContact O-N 3.02Å; S678-N682 PolarHBondContact O-ND2 3Å; S678-N682 VanDerWaalsContact O-ND2 3.13Å; S678-N682 PolarHBondContact OG-ND2 3.42Å |
| 679 | K | 89 | Confident | 87.9 | Confident | 118 Ų | 118 | 70.4 Ų | 70.4 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 172.7 | -71.3 | 159.6 | -170.9 | 160.5 | 0 | 110.5 | E675 R681 N682 I683 | E675-K679 WeakPolarHBondContact O-CB 3.48Å; E675-K679 WeakPolarHBondContact O-CD 3.49Å; E675-K679 WeakPolarHBondContact O-CG 3.46Å; E675-K679 PolarHBondContact O-N 2.69Å; E675-K679 IonicContact OE2-NZ 3.76Å; E675-K679 PolarHBondContact OE2-NZ 3.3Å; K679-R681 PolarHBondContact O-N 2.78Å; K679-N682 PolarHBondContact O-N 3.29Å; K679-I683 WeakPolarHBondContact O-CD1 2.98Å; K679-I683 VanDerWaalsContact O-CG1 3.27Å; K679-I683 WeakPolarHBondContact O-CG1 3.46Å; K679-I683 PolarHBondContact O-N 2.85Å |
| 680 | K | 87.7 | Confident | 87.5 | Confident | 150 Ų | 150 | 65.7 Ų | 65.7 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.8 | -47.4 | 174.8 | -73.6 | 168.9 | -178.3 | 178 | 0 | 112.4 | A676 E677 S678 I683 W684 | A676-K680 WeakPolarHBondContact O-CB 3.23Å; A676-K680 WeakPolarHBondContact O-CG 3.49Å; A676-K680 PolarHBondContact O-N 3.04Å; E677-K680 WeakPolarHBondContact O-CB 3.37Å; E677-K680 PolarHBondContact O-N 3.27Å; S678-K680 PolarHBondContact O-N 3.11Å; K680-I683 PolarHBondContact O-N 2.87Å; K680-W684 WeakPolarHBondContact O-CB 3.41Å; K680-W684 PolarHBondContact O-N 3.38Å |
| 681 | R | 85.8 | Confident | 87 | Confident | 75 Ų | 75 | 65.1 Ų | 65.1 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 178.3 | -71 | -159.9 | -163.9 | 150.6 | 13.9 | 112.8 | D192 S193 D194 I195 E677 S678 K679 W684 K685 | D192-R681 PolarHBondContact O-NH1 2.9Å; S193-R681 PolarHBondContact O-NH1 2.97Å; D194-R681 VanDerWaalsContact N-NH1 3.14Å; I195-R681 HydrophobicContact CD1-CG 4.04Å; I195-R681 VanDerWaalsContact N-NH1 3.19Å; E677-R681 PolarHBondContact O-N 3.42Å; S678-R681 PolarHBondContact O-N 3.09Å; K679-R681 PolarHBondContact O-N 2.78Å; R681-W684 PolarHBondContact O-N 3.32Å; R681-K685 WeakPolarHBondContact O-CG 3.29Å; R681-K685 PolarHBondContact O-N 3.28Å |
| 682 | N | 86.2 | Confident | 86.4 | Confident | 69 Ų | 69 | 68.6 Ų | 68.6 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 177.6 | -70.2 | -32.9 | 0 | 0 | 0 | 112.1 | S678 K679 K685 R686 | S678-N682 WeakPolarHBondContact O-CB 3.5Å; S678-N682 VanDerWaalsContact O-CG 3.28Å; S678-N682 PolarHBondContact O-N 3.02Å; S678-N682 PolarHBondContact O-ND2 3Å; S678-N682 VanDerWaalsContact O-ND2 3.13Å; S678-N682 PolarHBondContact OG-ND2 3.42Å; K679-N682 PolarHBondContact O-N 3.29Å; N682-K685 PolarHBondContact O-N 3.47Å; N682-R686 PolarHBondContact O-N 2.98Å; N682-R686 VanDerWaalsContact O-N 3.08Å |
| 683 | I | 86 | Confident | 86 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 35% | 0.354 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 169.7 | -67.1 | 161.4 | 0 | 0 | 0 | 110.6 | L536 K679 K680 R686 M687 | L536-I683 HydrophobicContact CD2-CD1 3.74Å; K679-I683 WeakPolarHBondContact O-CD1 2.98Å; K679-I683 VanDerWaalsContact O-CG1 3.27Å; K679-I683 WeakPolarHBondContact O-CG1 3.46Å; K679-I683 PolarHBondContact O-N 2.85Å; K680-I683 PolarHBondContact O-N 2.87Å; I683-R686 PolarHBondContact O-N 2.94Å; I683-M687 WeakPolarHBondContact O-CB 3.37Å; I683-M687 PolarHBondContact O-N 2.85Å |
| 684 | W | 81.4 | Confident | 85.6 | Confident | 139 Ų | 139 | 68.6 Ų | 68.6 | 53% | 0.527 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 177.7 | -169.6 | 96.5 | 0 | 0 | 0 | 112.8 | K680 R681 M687 Q688 M698 | K680-W684 WeakPolarHBondContact O-CB 3.41Å; K680-W684 PolarHBondContact O-N 3.38Å; R681-W684 PolarHBondContact O-N 3.32Å; W684-M687 WeakPolarHBondContact O-CB 3.5Å; W684-M687 PolarHBondContact O-N 2.85Å; W684-Q688 HydrophobicContact CE3-CB 4.32Å; W684-Q688 HydrophobicContact CH2-CB 4.49Å; W684-Q688 HydrophobicContact CH2-CG 4.38Å; W684-Q688 HydrophobicContact CZ3-CB 4.13Å; W684-Q688 HydrophobicContact CZ3-CG 4.24Å; W684-Q688 WeakPolarHBondContact O-CB 3.27Å; W684-Q688 PolarHBondContact O-N 3.3Å; W684-M698 HydrophobicContact CZ2-CE 4.06Å |
| 685 | K | 84.8 | Confident | 85 | Confident | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.278 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -50 | 173.4 | -75.8 | 172.6 | 179.5 | 176.7 | 0 | 111.3 | D194 R681 N682 M687 Q688 E689 | D194-K685 VanDerWaalsContact OD1-CE 3.23Å; D194-K685 WeakPolarHBondContact OD1-CE 3.42Å; D194-K685 IonicContact OD1-NZ 2.76Å; D194-K685 PolarHBondContact OD1-NZ 2.98Å; D194-K685 IonicContact OD2-NZ 2.87Å; R681-K685 WeakPolarHBondContact O-CG 3.29Å; R681-K685 PolarHBondContact O-N 3.28Å; N682-K685 PolarHBondContact O-N 3.47Å; K685-M687 VanDerWaalsContact C-N 3.33Å; K685-M687 PolarHBondContact O-N 2.97Å; K685-Q688 CarbonylContact O-C 3.33Å; K685-Q688 WeakPolarHBondContact O-CA 3.45Å; K685-Q688 WeakPolarHBondContact O-CB 3.41Å; K685-Q688 PolarHBondContact O-N 2.9Å; K685-Q688 VanDerWaalsContact O-N 3.07Å; K685-E689 WeakPolarHBondContact O-CG 3.14Å; K685-E689 PolarHBondContact O-N 2.89Å |
| 686 | R | 83.5 | Confident | 84.2 | Confident | 128 Ų | 128 | 74.2 Ų | 74.2 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 173.2 | -74.2 | -177.7 | 172.6 | 128.1 | -6.8 | 112.7 | N682 I683 E689 R690 | N682-R686 PolarHBondContact O-N 2.98Å; N682-R686 VanDerWaalsContact O-N 3.08Å; I683-R686 PolarHBondContact O-N 2.94Å; R686-E689 WeakPolarHBondContact CA-OE2 3.42Å; R686-E689 PolarHBondContact O-N 2.75Å; R686-R690 WeakPolarHBondContact O-CB 3.28Å; R686-R690 WeakPolarHBondContact O-CD 3.33Å; R686-R690 WeakPolarHBondContact O-CG 3.31Å; R686-R690 PolarHBondContact O-N 3.23Å |
| 687 | M | 81.7 | Confident | 83 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.6 | -171.7 | 63.1 | 78 | 0 | 0 | 111.9 | I683 W684 K685 E689 R690 L691 F830 | I683-M687 WeakPolarHBondContact O-CB 3.37Å; I683-M687 PolarHBondContact O-N 2.85Å; W684-M687 WeakPolarHBondContact O-CB 3.5Å; W684-M687 PolarHBondContact O-N 2.85Å; K685-M687 VanDerWaalsContact C-N 3.33Å; K685-M687 PolarHBondContact O-N 2.97Å; M687-E689 VanDerWaalsContact C-N 3.34Å; M687-E689 PolarHBondContact O-N 3.07Å; M687-R690 PolarHBondContact O-N 3.14Å; M687-L691 HydrophobicContact CG-CD1 4.2Å; M687-L691 WeakPolarHBondContact O-CB 3.21Å; M687-L691 VanDerWaalsContact O-CG 3.24Å; M687-L691 WeakPolarHBondContact O-CG 3.38Å; M687-L691 PolarHBondContact O-N 3.29Å; M687-F830 HydrophobicContact CE-CE1 4.41Å; M687-F830 HydrophobicContact CE-CZ 4.09Å; M687-F830 HydrophobicContact SD-CE1 4.04Å; M687-F830 HydrophobicContact SD-CZ 4.09Å |
| 688 | Q | 83.6 | Confident | 81.9 | Confident | 39 Ų | 39 | 73.2 Ų | 73.2 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 176.5 | -179.3 | 56.9 | 96.3 | 0 | 0 | 111.9 | W684 K685 N692 M698 | W684-Q688 HydrophobicContact CE3-CB 4.32Å; W684-Q688 HydrophobicContact CH2-CB 4.49Å; W684-Q688 HydrophobicContact CH2-CG 4.38Å; W684-Q688 HydrophobicContact CZ3-CB 4.13Å; W684-Q688 HydrophobicContact CZ3-CG 4.24Å; W684-Q688 WeakPolarHBondContact O-CB 3.27Å; W684-Q688 PolarHBondContact O-N 3.3Å; K685-Q688 CarbonylContact O-C 3.33Å; K685-Q688 WeakPolarHBondContact O-CA 3.45Å; K685-Q688 WeakPolarHBondContact O-CB 3.41Å; K685-Q688 PolarHBondContact O-N 2.9Å; K685-Q688 VanDerWaalsContact O-N 3.07Å; Q688-N692 PolarHBondContact NE2-ND2 2.88Å; Q688-N692 PolarHBondContact NE2-OD1 3.09Å; Q688-N692 VanDerWaalsContact O-CB 3.31Å; Q688-N692 WeakPolarHBondContact O-CB 3.28Å; Q688-N692 PolarHBondContact O-N 2.87Å; Q688-N692 PolarHBondContact O-ND2 3.08Å; Q688-M698 HydrophobicContact CB-CE 4.36Å; Q688-M698 VanDerWaalsContact OE1-CB 3.31Å |
| 689 | E | 82.3 | Confident | 80.7 | Confident | 82 Ų | 82 | 76.3 Ų | 76.3 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.3 | -48.7 | 174.8 | -74.8 | 148.7 | -173.5 | 0 | 0 | 112.3 | K685 R686 M687 L691 N692 F693 L837 | K685-E689 WeakPolarHBondContact O-CG 3.14Å; K685-E689 PolarHBondContact O-N 2.89Å; R686-E689 WeakPolarHBondContact CA-OE2 3.42Å; R686-E689 PolarHBondContact O-N 2.75Å; M687-E689 VanDerWaalsContact C-N 3.34Å; M687-E689 PolarHBondContact O-N 3.07Å; E689-L691 VanDerWaalsContact C-N 3.29Å; E689-L691 PolarHBondContact O-N 2.87Å; E689-N692 PolarHBondContact O-N 3.38Å; E689-N692 VanDerWaalsContact O-N 3.16Å; E689-F693 WeakPolarHBondContact O-CB 3.08Å; E689-F693 PolarHBondContact O-N 3.33Å; E689-L837 HydrophobicContact CB-CD1 4.3Å |
| 690 | R | 83.8 | Confident | 79.3 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -53 | -45.8 | 171.9 | -68.4 | 161.5 | 178.5 | 173.9 | 5.9 | 111.3 | R686 M687 F693 V694 L833 D834 L837 | R686-R690 WeakPolarHBondContact O-CB 3.28Å; R686-R690 WeakPolarHBondContact O-CD 3.33Å; R686-R690 WeakPolarHBondContact O-CG 3.31Å; R686-R690 PolarHBondContact O-N 3.23Å; M687-R690 PolarHBondContact O-N 3.14Å; R690-F693 WeakPolarHBondContact O-CB 3.33Å; R690-F693 PolarHBondContact O-N 3.39Å; R690-V694 WeakPolarHBondContact O-CG2 3.42Å; R690-V694 PolarHBondContact O-N 3.12Å; R690-L833 HydrophobicContact CG-CB 4.36Å; R690-D834 IonicContact CZ-OD1 3.37Å; R690-D834 VanDerWaalsContact CZ-OD1 3.24Å; R690-D834 IonicContact CZ-OD2 2.69Å; R690-D834 IonicContact NE-OD1 2.67Å; R690-D834 PolarHBondContact NE-OD1 3.21Å; R690-D834 IonicContact NE-OD2 3.92Å; R690-D834 IonicContact NH2-OD1 2.66Å; R690-D834 PolarHBondContact NH2-OD1 3.38Å; R690-D834 IonicContact NH2-OD2 2.74Å; R690-D834 PolarHBondContact NH2-OD2 2.92Å; R690-L837 HydrophobicContact CG-CD1 3.94Å |
| 691 | L | 82.1 | Confident | 78 | Confident | 26 Ų | 26 | 74.3 Ų | 74.3 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 178 | -73 | 173.2 | 0 | 0 | 0 | 112.6 | M687 E689 F693 V694 N695 I696 M698 I701 | M687-L691 HydrophobicContact CG-CD1 4.2Å; M687-L691 WeakPolarHBondContact O-CB 3.21Å; M687-L691 VanDerWaalsContact O-CG 3.24Å; M687-L691 WeakPolarHBondContact O-CG 3.38Å; M687-L691 PolarHBondContact O-N 3.29Å; E689-L691 VanDerWaalsContact C-N 3.29Å; E689-L691 PolarHBondContact O-N 2.87Å; L691-F693 PolarHBondContact O-N 3.38Å; L691-V694 CarbonylContact O-C 3.6Å; L691-V694 PolarHBondContact O-N 3.21Å; L691-N695 PolarHBondContact O-N 3.44Å; L691-I696 CarbonylContact C-O 3.55Å; L691-I696 WeakPolarHBondContact CB-O 3.25Å; L691-I696 HydrophobicContact CD2-CB 4.34Å; L691-I696 PolarHBondContact O-N 3.16Å; L691-M698 HydrophobicContact CD1-CE 3.62Å; L691-M698 HydrophobicContact CD1-SD 3.63Å; L691-I701 HydrophobicContact CD1-CD1 3.95Å; L691-I701 HydrophobicContact CD2-CD1 3.57Å; L691-I701 HydrophobicContact CG-CD1 4.4Å |
| 692 | N | 79.7 | Confident | 76.6 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 174.8 | -77.6 | -30.5 | 0 | 0 | 0 | 112.6 | Q688 E689 N695 | Q688-N692 PolarHBondContact NE2-ND2 2.88Å; Q688-N692 PolarHBondContact NE2-OD1 3.09Å; Q688-N692 VanDerWaalsContact O-CB 3.31Å; Q688-N692 WeakPolarHBondContact O-CB 3.28Å; Q688-N692 PolarHBondContact O-N 2.87Å; Q688-N692 PolarHBondContact O-ND2 3.08Å; E689-N692 PolarHBondContact O-N 3.38Å; E689-N692 VanDerWaalsContact O-N 3.16Å; N692-N695 PolarHBondContact O-N 3.35Å |
| 693 | F | 82.6 | Confident | 74.4 | Confident | 89 Ų | 89 | 74.4 Ų | 74.4 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 174.1 | -174.3 | -94.6 | 0 | 0 | 0 | 111.1 | E689 R690 L691 N695 L833 L837 | E689-F693 WeakPolarHBondContact O-CB 3.08Å; E689-F693 PolarHBondContact O-N 3.33Å; R690-F693 WeakPolarHBondContact O-CB 3.33Å; R690-F693 PolarHBondContact O-N 3.39Å; L691-F693 PolarHBondContact O-N 3.38Å; F693-N695 PolarHBondContact O-N 2.87Å; F693-N695 PolarHBondContact O-ND2 3.09Å; F693-L833 HydrophobicContact CD1-CD2 3.88Å; F693-L833 HydrophobicContact CE1-CD2 3.94Å; F693-L837 HydrophobicContact CB-CD2 4.2Å; F693-L837 HydrophobicContact CD2-CD2 3.77Å; F693-L837 HydrophobicContact CE2-CD2 4.41Å; F693-L837 HydrophobicContact CG-CD2 4.16Å |
| 694 | V | 84 | Confident | 72.4 | Confident | 74 Ų | 74 | 77 Ų | 77 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.6 | -14.6 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | R690 L691 I696 L833 | R690-V694 WeakPolarHBondContact O-CG2 3.42Å; R690-V694 PolarHBondContact O-N 3.12Å; L691-V694 CarbonylContact O-C 3.6Å; L691-V694 PolarHBondContact O-N 3.21Å; V694-I696 HydrophobicContact CG1-CD1 3.97Å; V694-I696 HydrophobicContact CG1-CG1 4.16Å; V694-L833 HydrophobicContact CG2-CD1 4.45Å; V694-L833 HydrophobicContact CG2-CD2 4.42Å |
| 695 | N | 79 | Confident | 70.6 | Confident | 100 Ų | 100 | 75.9 Ų | 75.9 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 35.9 | 179.8 | -56 | -86.3 | 0 | 0 | 0 | 115.8 | R435 L691 N692 F693 | R435-N695 PolarHBondContact NH1-OD1 2.94Å; R435-N695 PolarHBondContact NH2-OD1 3.05Å; L691-N695 PolarHBondContact O-N 3.44Å; N692-N695 PolarHBondContact O-N 3.35Å; F693-N695 PolarHBondContact O-N 2.87Å; F693-N695 PolarHBondContact O-ND2 3.09Å |
| 696 | I | 75.1 | Confident | 68.6 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 35% | 0.349 | 43% | 0.431 | S | S | . | . | trans | -114 | 117.8 | 171.3 | -44.8 | 172.2 | 0 | 0 | 0 | 106.7 | L691 V694 I701 | L691-I696 CarbonylContact C-O 3.55Å; L691-I696 WeakPolarHBondContact CB-O 3.25Å; L691-I696 HydrophobicContact CD2-CB 4.34Å; L691-I696 PolarHBondContact O-N 3.16Å; V694-I696 HydrophobicContact CG1-CD1 3.97Å; V694-I696 HydrophobicContact CG1-CG1 4.16Å; I696-I701 HydrophobicContact CB-CD1 4.33Å; I696-I701 HydrophobicContact CG2-CD1 3.63Å; I696-I701 HydrophobicContact CG2-CG1 3.69Å | ||
| 697 | S | 66.6 | Low | 66.5 | Low | 46 Ų | 46 | 79 Ų | 79 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | trans | -73.5 | 141.6 | 171.2 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | T699 N700 | S697-T699 PolarHBondContact O-N 2.93Å; S697-N700 WeakPolarHBondContact O-CB 3.28Å; S697-N700 PolarHBondContact O-N 2.87Å; S697-N700 PolarHBondContact OG-ND2 3.36Å | ||
| 698 | M | 66.2 | Low | 64.5 | Low | 26 Ų | 26 | 82.4 Ų | 82.4 | 13% | 0.128 | 45% | 0.454 | C | S | . | . | G | 310 helix | trans | -56.5 | -38.8 | -179.7 | -168.8 | 73 | 82 | 0 | 0 | 111.8 | W684 Q688 L691 N700 I701 L702 | W684-M698 HydrophobicContact CZ2-CE 4.06Å; Q688-M698 HydrophobicContact CB-CE 4.36Å; Q688-M698 VanDerWaalsContact OE1-CB 3.31Å; L691-M698 HydrophobicContact CD1-CE 3.62Å; L691-M698 HydrophobicContact CD1-SD 3.63Å; M698-N700 PolarHBondContact O-N 3.49Å; M698-I701 PolarHBondContact O-N 3.41Å; M698-L702 HydrophobicContact CG-CD1 3.79Å; M698-L702 HydrophobicContact CG-CG 4.17Å; M698-L702 PolarHBondContact O-N 3.18Å; M698-L702 HydrophobicContact SD-CD1 4.14Å; M698-L702 HydrophobicContact SD-CG 4.33Å |
| 699 | T | 64.2 | Low | 62.2 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 56% | 0.564 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -63.8 | 2.6 | 172.1 | 29.7 | 0 | 0 | 0 | 0 | 116.1 | S697 L702 | S697-T699 PolarHBondContact O-N 2.93Å; T699-L702 CarbonylContact C-O 3.55Å |
| 700 | N | 58.8 | Low | 60 | Low | 131 Ų | 131 | 93.8 Ų | 93.8 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -109.3 | -5.8 | 167 | -72.8 | -22 | 0 | 0 | 0 | 112.8 | S697 M698 | S697-N700 WeakPolarHBondContact O-CB 3.28Å; S697-N700 PolarHBondContact O-N 2.87Å; S697-N700 PolarHBondContact OG-ND2 3.36Å; M698-N700 PolarHBondContact O-N 3.49Å |
| 701 | I | 61.6 | Low | 57.9 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -51.4 | 178.8 | -61 | 169.3 | 0 | 0 | 0 | 109 | L691 I696 M698 | L691-I701 HydrophobicContact CD1-CD1 3.95Å; L691-I701 HydrophobicContact CD2-CD1 3.57Å; L691-I701 HydrophobicContact CG-CD1 4.4Å; I696-I701 HydrophobicContact CB-CD1 4.33Å; I696-I701 HydrophobicContact CG2-CD1 3.63Å; I696-I701 HydrophobicContact CG2-CG1 3.69Å; M698-I701 PolarHBondContact O-N 3.41Å |
| 702 | L | 55.1 | Low | 55.6 | Low | 102 Ų | 102 | 109.7 Ų | 109.7 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -81.5 | 134.6 | 165.8 | -53.9 | -179.1 | 0 | 0 | 0 | 107.9 | M698 T699 | M698-L702 HydrophobicContact CG-CD1 3.79Å; M698-L702 HydrophobicContact CG-CG 4.17Å; M698-L702 PolarHBondContact O-N 3.18Å; M698-L702 HydrophobicContact SD-CD1 4.14Å; M698-L702 HydrophobicContact SD-CG 4.33Å; T699-L702 CarbonylContact C-O 3.55Å |
| 703 | G | 40.8 | Very low | 53.6 | Low | 45 Ų | 45 | 115.3 Ų | 115.3 | 46% | 0.464 | 59% | 0.591 | S | S | . | * | trans | -73.6 | 160.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | D705 | G703-D705 PolarHBondContact O-N 3.46Š| ||
| 704 | D | 42.9 | Very low | 51.3 | Low | 124 Ų | 124 | 118 Ų | 118 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -73.8 | 45.2 | 175.9 | -53.6 | -63.4 | 0 | 0 | 0 | 112.2 | D706 | D704-D706 VanDerWaalsContact C-N 3.3Å; D704-D706 PolarHBondContact O-N 3.5Å |
| 705 | D | 43.3 | Very low | 49.5 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -3 | -169.9 | -75.7 | -43 | 0 | 0 | 0 | 114 | G703 S707 F709 | G703-D705 PolarHBondContact O-N 3.46Å; D705-S707 PolarHBondContact O-N 2.92Å; D705-F709 WeakPolarHBondContact O-CD2 3.49Å |
| 706 | D | 43.2 | Very low | 47.4 | Very low | 174 Ų | 174 | 130 Ų | 130 | 93% | 0.93 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 13.6 | 174.3 | -61.8 | -45 | 0 | 0 | 0 | 113.5 | D704 | D704-D706 VanDerWaalsContact C-N 3.3Å; D704-D706 PolarHBondContact O-N 3.5Å |
| 707 | S | 39.5 | Very low | 45.6 | Very low | 82 Ų | 82 | 130.2 Ų | 130.2 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -147.5 | 151.9 | 171.2 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | D705 | D705-S707 PolarHBondContact O-N 2.92Š|
| 708 | D | 39.7 | Very low | 44.2 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 56% | 0.561 | 70% | 0.696 | S | S | * | * | trans | 69.2 | 31.3 | -176.6 | -70.9 | 10.8 | 0 | 0 | 0 | 117.3 | H710 R712 | D708-H710 PolarHBondContact O-N 3.04Å; D708-R712 IonicContact OD2-CZ 3.61Å; D708-R712 IonicContact OD2-NE 3.24Å; D708-R712 IonicContact OD2-NH2 2.67Å; D708-R712 PolarHBondContact OD2-NH2 3.19Å | ||
| 709 | F | 35.5 | Very low | 42.9 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 80% | 0.803 | 73% | 0.729 | S | S | * | * | trans | -68.6 | -12.9 | 169.4 | -111.8 | -82.9 | 0 | 0 | 0 | 114.5 | D705 | D705-F709 WeakPolarHBondContact O-CD2 3.49Š| ||
| 710 | H | 37.5 | Very low | 41.7 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -89.3 | 148.9 | 167 | -76.4 | -109.9 | 0 | 0 | 0 | 112.1 | D708 | D708-H710 PolarHBondContact O-N 3.04Š|
| 711 | E | 37.9 | Very low | 40.3 | Very low | 195 Ų | 195 | 149 Ų | 149 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 72.3 | 22 | 163.6 | -135.3 | -161.1 | -175.5 | 0 | 0 | 121.4 | ||
| 712 | R | 35 | Very low | 38.8 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -110.8 | 17.8 | 171.1 | -64.4 | -168.4 | -173.8 | 174.4 | 9.8 | 117.8 | D708 N714 | D708-R712 IonicContact OD2-CZ 3.61Å; D708-R712 IonicContact OD2-NE 3.24Å; D708-R712 IonicContact OD2-NH2 2.67Å; D708-R712 PolarHBondContact OD2-NH2 3.19Å; R712-N714 VanDerWaalsContact C-N 3.3Å; R712-N714 PolarHBondContact O-N 3.12Å | ||
| 713 | K | 37.1 | Very low | 38.1 | Very low | 203 Ų | 203 | 152.2 Ų | 152.2 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -74.4 | 65.6 | 167.9 | -70.2 | 178.3 | -178.8 | 165.4 | 0 | 113.2 | ||||
| 714 | N | 35.2 | Very low | 38.1 | Very low | 145 Ų | 145 | 157.5 Ų | 157.5 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | 177.3 | 95.5 | 148.5 | -98.3 | -42.4 | 0 | 0 | 0 | 116.4 | R712 | R712-N714 VanDerWaalsContact C-N 3.3Å; R712-N714 PolarHBondContact O-N 3.12Å | ||
| 715 | K | 44.7 | Very low | 37.6 | Very low | 211 Ų | 211 | 160.3 Ų | 160.3 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -176.1 | 115.8 | 140.2 | -93.6 | 134.6 | -155.6 | 147 | 0 | 111.1 | ||||
| 716 | K | 36.7 | Very low | 37.2 | Very low | 216 Ų | 216 | 162 Ų | 162 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 135 | 172.6 | -80 | -179.1 | 176.4 | 171.9 | 0 | 111.8 | ||||
| 717 | G | 36.4 | Very low | 36.7 | Very low | 72 Ų | 72 | 160.2 Ų | 160.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -177.6 | 61.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 718 | K | 37.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 162.2 Ų | 162.2 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | 72.9 | 106.5 | 91.4 | -79 | -172.7 | 172.1 | 176.9 | 0 | 115.1 | |||||
| 719 | V | 37.7 | Very low | 36.1 | Very low | 138 Ų | 138 | 165.7 Ų | 165.7 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | 167.4 | 126.4 | 146.7 | 146.3 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 720 | L | 39.2 | Very low | 35.9 | Very low | 143 Ų | 143 | 166.9 Ų | 166.9 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | cis | -148.3 | 129.6 | 9.5 | -161.1 | 70.4 | 0 | 0 | 0 | 113.5 | ||||
| 721 | R | 30.6 | Very low | 35.6 | Very low | 211 Ų | 211 | 162.1 Ų | 162.1 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | 24.2 | 130.4 | 153 | -72.3 | -177.1 | 168.7 | 149.4 | -2.6 | 124.3 | ||||
| 722 | N | 29.8 | Very low | 35.4 | Very low | 143 Ų | 143 | 158.3 Ų | 158.3 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 69.5 | 144.4 | 137.4 | -61.9 | 33.9 | 0 | 0 | 0 | 117.5 | ||||
| 723 | T | 39.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | cis | -121.8 | -167.9 | 27 | 35.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 724 | Q | 40.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -60.8 | 150.8 | 172.7 | -58.8 | 104.7 | -81.3 | 0 | 0 | 111 | ||||
| 725 | K | 33.4 | Very low | 34.9 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | 78.5 | 60.3 | 22.9 | -147.8 | -167.9 | -171.2 | -163.4 | 0 | 116.3 | ||||
| 726 | N | 35.5 | Very low | 34.4 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -97.2 | 161.1 | 142 | -81.3 | -26.8 | 0 | 0 | 0 | 109.1 | ||||
| 727 | N | 31 | Very low | 34.4 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -140.5 | 94 | -162.4 | -173.5 | 101.3 | 0 | 0 | 0 | 110.9 | ||||
| 728 | V | 34.9 | Very low | 34.3 | Very low | 124 Ų | 124 | 151 Ų | 151 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -100.9 | 121.8 | 169.5 | -177.5 | 0 | 0 | 0 | 0 | 107.2 | Y730 | V728-Y730 HydrophobicContact CG1-CD2 3.82Å; V728-Y730 HydrophobicContact CG1-CE2 3.63Å | ||
| 729 | K | 32.3 | Very low | 34.6 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | trans | -110.1 | 102.8 | 176.8 | 179.3 | -160.8 | 175.5 | -163.6 | 0 | 106.8 | ||||
| 730 | Y | 30.4 | Very low | 34.4 | Very low | 208 Ų | 208 | 152.7 Ų | 152.7 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 133.4 | 159 | -80.2 | -76.4 | 0 | 0 | 0 | 108.5 | V728 | V728-Y730 HydrophobicContact CG1-CD2 3.82Å; V728-Y730 HydrophobicContact CG1-CE2 3.63Å |
| 731 | A | 32.6 | Very low | 34.3 | Very low | 75 Ų | 75 | 152 Ų | 152 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 150.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 732 | C | 32.5 | Very low | 34.5 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 134.9 | 152.9 | -165.6 | 0 | 0 | 0 | 0 | 106.2 | D734 | C732-D734 PolarHBondContact O-N 3.45Š|
| 733 | D | 29.7 | Very low | 34.9 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | -73.8 | 115.5 | 168.5 | -93.2 | -77.1 | 0 | 0 | 0 | 109 | S735 | D733-S735 PolarHBondContact OD1-OG 3.33Š| ||
| 734 | D | 33 | Very low | 34.8 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -126.6 | 87 | 152.5 | -84.8 | -49.5 | 0 | 0 | 0 | 104.7 | C732 | C732-D734 PolarHBondContact O-N 3.45Š| ||
| 735 | S | 34.5 | Very low | 34.5 | Very low | 81 Ų | 81 | 143 Ų | 143 | 57% | 0.566 | 75% | 0.749 | S | S | * | * | trans | -122.1 | 98.1 | -163.9 | 30.9 | 0 | 0 | 0 | 0 | 112.1 | D733 | D733-S735 PolarHBondContact OD1-OG 3.33Š| ||
| 736 | Y | 34.3 | Very low | 34.6 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 91% | 0.914 | 75% | 0.75 | S | S | * | * | trans | -163.8 | 92.1 | 152.6 | -130 | -86.7 | 0 | 0 | 0 | 112.4 | ||||
| 737 | S | 37.2 | Very low | 34.7 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 171.1 | 80.7 | 155.6 | 31.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 738 | D | 34.9 | Very low | 35 | Very low | 168 Ų | 168 | 137 Ų | 137 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -87.3 | 115.7 | 161.6 | -75.4 | -56.8 | 0 | 0 | 0 | 108.3 | ||||
| 739 | E | 42 | Very low | 35.2 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -112.3 | 123.6 | 155.7 | -79.8 | -161.4 | 154.9 | 0 | 0 | 108.6 | ||||
| 740 | E | 34.2 | Very low | 35.5 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -80.1 | 135.2 | -175.9 | -57.3 | -175.7 | 138 | 0 | 0 | 110.7 | ||||
| 741 | N | 36.8 | Very low | 35.9 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | -142.4 | 97.3 | 164.6 | -90 | -91.2 | 0 | 0 | 0 | 108.9 | S980 | N741-S980 PolarHBondContact O-OG 2.79Š| ||
| 742 | E | 35.3 | Very low | 36.1 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | trans | -59.9 | 173.1 | 164.1 | -93.5 | -68.2 | 150.8 | 0 | 0 | 111.7 | ||||
| 743 | D | 37.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | 140.2 | 167.2 | 121.7 | -131.9 | -26.7 | 0 | 0 | 0 | 116.3 | |||||
| 744 | I | 36.6 | Very low | 36.4 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 53% | 0.528 | 74% | 0.743 | S | S | . | * | trans | 65.3 | 85.9 | 169.8 | -1.8 | 175.8 | 0 | 0 | 0 | 119.2 | T981 | I744-T981 HydrophobicContact CB-CG2 3.63Å; I744-T981 HydrophobicContact CD1-CG2 3.85Å; I744-T981 HydrophobicContact CG1-CG2 3.76Å | ||
| 745 | A | 36 | Very low | 36.4 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | 24.8 | 141.8 | 128.6 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 746 | S | 34.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | -174.7 | 123.2 | 102.1 | 36.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 747 | V | 37.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | 37.4 | 119.2 | 139.7 | -171 | 0 | 0 | 0 | 0 | 121 | ||||
| 748 | S | 37.2 | Very low | 35.8 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | -179.1 | 120.3 | 120.1 | -79.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 749 | H | 38.3 | Very low | 35.7 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 79% | 0.787 | 72% | 0.722 | S | S | * | * | trans | -6.1 | 143.9 | 146.7 | -51.2 | -85.4 | 0 | 0 | 0 | 118.1 | ||||
| 750 | S | 38.4 | Very low | 35.3 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | cis | -170.4 | -158.6 | 1.8 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 751 | D | 39.3 | Very low | 35.1 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | cis | -164.7 | 174.4 | 14.6 | -132.8 | -34.3 | 0 | 0 | 0 | 117.1 | ||||
| 752 | T | 37.3 | Very low | 35.1 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 59% | 0.589 | 72% | 0.715 | S | S | * | * | trans | 6.7 | 129.9 | 162.7 | 56.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 753 | K | 36.6 | Very low | 35 | Very low | 196 Ų | 196 | 120.7 Ų | 120.7 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | 49.3 | 147.6 | 114.3 | -57.7 | 172.4 | -177.4 | 175.9 | 0 | 120.1 | |||||
| 754 | N | 31.9 | Very low | 34.8 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | cis | -170.1 | 177.2 | -18.3 | -167.7 | 5.5 | 0 | 0 | 0 | 108.8 | ||||
| 755 | T | 32.7 | Very low | 35 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | 65.8 | 116.1 | 156.9 | 54.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 756 | N | 32.3 | Very low | 34.9 | Very low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | 67.6 | 105.2 | 121 | -57.6 | -12 | 0 | 0 | 0 | 123.2 | |||||
| 757 | S | 31.3 | Very low | 35 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | 86 | 131.6 | 115.5 | 78.5 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 758 | N | 29.4 | Very low | 35.2 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 66.2 | 140.7 | 140.6 | -65 | -22.7 | 0 | 0 | 0 | 122.3 | ||||
| 759 | T | 32.9 | Very low | 35.2 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | trans | 63.1 | 163.2 | 158 | 50.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 760 | D | 33.8 | Very low | 35.2 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | cis | -156.4 | -179.4 | -34.3 | 178.1 | 45.1 | 0 | 0 | 0 | 107.8 | ||||
| 761 | S | 31.2 | Very low | 35.2 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -20.1 | 128.4 | 170.2 | 64.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 762 | G | 35.4 | Very low | 35.1 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | trans | -157.7 | 101.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 763 | V | 33.6 | Very low | 35.2 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -73.4 | 153.3 | -171 | 168.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 764 | D | 33.5 | Very low | 35.3 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 68.2 | 127.2 | 161.4 | -82.1 | -34.1 | 0 | 0 | 0 | 122 | ||||
| 765 | G | 42.2 | Very low | 35.4 | Very low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -158.7 | 59.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 766 | R | 32.4 | Very low | 35.8 | Very low | 226 Ų | 226 | 141.9 Ų | 141.9 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -81.9 | 158.4 | 176.2 | -81 | 177.7 | 170.1 | 173.3 | -1.8 | 111.9 | ||||
| 767 | S | 38.2 | Very low | 36 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | cis | -179.1 | 163.6 | -16.6 | 58.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 768 | Q | 42.4 | Very low | 36.1 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 146.7 | 162.8 | -51.4 | -174.1 | 48.3 | 0 | 0 | 118.3 | ||||
| 769 | G | 35.9 | Very low | 36.4 | Very low | 65 Ų | 65 | 148.2 Ų | 148.2 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | cis | 170.8 | 171.3 | -9.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 770 | N | 38.3 | Very low | 36.7 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | 79.8 | 141.9 | 171.3 | -66.9 | -36.2 | 0 | 0 | 0 | 120.6 | ||||
| 771 | S | 37.7 | Very low | 36.7 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | 178.2 | -177.6 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 772 | I | 38.5 | Very low | 36.8 | Very low | 119 Ų | 119 | 151 Ų | 151 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | trans | 90.3 | 128.3 | 163.6 | -62 | 173.4 | 0 | 0 | 0 | 116.2 | ||||
| 773 | R | 38.7 | Very low | 36.8 | Very low | 187 Ų | 187 | 157.2 Ų | 157.2 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -167.2 | 162.3 | -12.8 | -92.8 | 169.9 | -153.5 | 146.4 | 4.9 | 103.9 | ||||
| 774 | R | 38.5 | Very low | 36.7 | Very low | 217 Ų | 217 | 159.8 Ų | 159.8 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | cis | -176.6 | 164.8 | -9.2 | -96.7 | 170.3 | 177.2 | 176.7 | -1.8 | 103.4 | ||||
| 775 | R | 35.3 | Very low | 36.7 | Very low | 210 Ų | 210 | 160.2 Ų | 160.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -164.9 | 163 | 1.4 | -136.8 | -178.8 | 179.5 | 173.1 | -0.3 | 103.9 | ||||
| 776 | R | 40.1 | Very low | 35.9 | Very low | 222 Ų | 222 | 165.5 Ų | 165.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | -118.3 | -172.8 | 3.6 | -62.5 | 174.9 | 152.9 | 124.3 | -11.4 | 108.2 | ||||
| 777 | Q | 36.4 | Very low | 35.8 | Very low | 159 Ų | 159 | 159.9 Ų | 159.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | 82.1 | 137.9 | 9.4 | -59.2 | -168.2 | -23.9 | 0 | 0 | 117.2 | ||||
| 778 | V | 33.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 166.1 Ų | 166.1 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | cis | -164.1 | 146.4 | -4.8 | 118.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 779 | R | 35.8 | Very low | 35.5 | Very low | 233 Ų | 233 | 163.2 Ų | 163.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | 172.7 | 157.9 | 88.4 | -150.6 | 160.1 | -160.6 | -167.7 | 3.6 | 111.1 | |||||
| 780 | P | 38.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 169.5 Ų | 169.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -117.5 | 173.2 | -177.1 | 42 | -33.4 | 0 | 0 | 0 | 116.5 | ||||
| 781 | K | 35.3 | Very low | 34.6 | Very low | 211 Ų | 211 | 170.4 Ų | 170.4 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | 31.5 | 122.2 | 156.3 | -74 | -175.8 | 175.4 | 178.9 | 0 | 120.6 | ||||
| 782 | S | 31.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 172.7 Ų | 172.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -154.3 | 152.4 | 136.7 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 783 | K | 36.1 | Very low | 34.2 | Very low | 209 Ų | 209 | 172.3 Ų | 172.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -92.6 | 133.5 | 164.5 | -74.1 | -179 | 176.1 | -179.6 | 0 | 108.3 | ||||
| 784 | M | 31.7 | Very low | 33.6 | Very low | 185 Ų | 185 | 171.9 Ų | 171.9 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -148.8 | 155.2 | 154.6 | -81.7 | -153.3 | 73.4 | 0 | 0 | 110.8 | ||||
| 785 | Q | 32.7 | Very low | 33.2 | Very low | 156 Ų | 156 | 168.9 Ų | 168.9 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | -91.5 | 163 | 177.7 | -62.5 | 172.1 | -34.9 | 0 | 0 | 111.4 | ||||
| 786 | F | 27 | Very low | 33.3 | Very low | 193 Ų | 193 | 167.9 Ų | 167.9 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 64.8 | 154.8 | 177 | -52.1 | -85.3 | 0 | 0 | 0 | 113.3 | ||||
| 787 | S | 29.6 | Very low | 32.8 | Very low | 107 Ų | 107 | 163.2 Ų | 163.2 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | cis | -151.7 | 169.7 | 20.1 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 788 | R | 36 | Very low | 32.4 | Very low | 213 Ų | 213 | 161.3 Ų | 161.3 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -69.4 | 148.5 | 162.7 | -72.9 | 169 | 153.3 | 174.5 | -8.5 | 111.2 | R790 | R788-R790 HydrophobicContact CB-CB 4.07Š| ||
| 789 | P | 38.4 | Very low | 32.3 | Very low | 128 Ų | 128 | 159.5 Ų | 159.5 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | -113.5 | 101.5 | 127.2 | 32.2 | -23.9 | 0 | 0 | 0 | 107.6 | |||||
| 790 | R | 27.4 | Very low | 32.1 | Very low | 197 Ų | 197 | 155.8 Ų | 155.8 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | 59.9 | 92 | 48.4 | -155 | -175.5 | -160 | -160.3 | 6.7 | 113 | R788 | R788-R790 HydrophobicContact CB-CB 4.07Š| ||
| 791 | R | 27.3 | Very low | 31.9 | Very low | 186 Ų | 186 | 158.6 Ų | 158.6 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 51 | 117.4 | 155.6 | -64.6 | -167 | 164.3 | 162.1 | -5.1 | 117.9 | N793 | R791-N793 HydrophobicContact CG-CB 4.32Å; R791-N793 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 792 | V | 35.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | -107.6 | 104.9 | 103.2 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 793 | N | 32.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 155.6 Ų | 155.6 | 60% | 0.599 | 75% | 0.752 | S | S | * | * | trans | -99.8 | 118.3 | 161.2 | -85.4 | 57.9 | 0 | 0 | 0 | 105.9 | R791 | R791-N793 HydrophobicContact CG-CB 4.32Å; R791-N793 WeakPolarHBondContact CG-OD1 3.42Å | ||
| 794 | F | 27.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 150.5 Ų | 150.5 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | 178.6 | 134.2 | 150.2 | -116.4 | -132.5 | 0 | 0 | 0 | 106.1 | ||||
| 795 | R | 29.3 | Very low | 31.7 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 59% | 0.585 | 74% | 0.735 | S | S | * | * | cis | -155.3 | 136.4 | -5 | 174.3 | 168.9 | -178.6 | 176.3 | -2.7 | 107 | E797 | R795-E797 HydrophobicContact CG-CB 4.43Å; R795-E797 IonicContact CZ-OE1 3.35Å; R795-E797 IonicContact CZ-OE2 3.08Å; R795-E797 IonicContact NE-OE1 2.95Å; R795-E797 PolarHBondContact NE-OE1 3.28Å; R795-E797 IonicContact NE-OE2 3.06Å; R795-E797 PolarHBondContact NE-OE2 3.08Å; R795-E797 IonicContact NH2-OE1 2.9Å; R795-E797 PolarHBondContact NH2-OE1 3.37Å; R795-E797 IonicContact NH2-OE2 2.67Å; R795-E797 PolarHBondContact NH2-OE2 2.92Å; R795-E797 PolarHBondContact O-N 3.43Å | ||
| 796 | E | 37.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | trans | -69.7 | 119.8 | 157.6 | -71.2 | 168.2 | 112.1 | 0 | 0 | 106.8 | ||||
| 797 | E | 30.8 | Very low | 32 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | trans | -170.8 | 130.7 | 152.1 | -108.6 | 155.5 | -120.2 | 0 | 0 | 108.8 | R795 | R795-E797 HydrophobicContact CG-CB 4.43Å; R795-E797 IonicContact CZ-OE1 3.35Å; R795-E797 IonicContact CZ-OE2 3.08Å; R795-E797 IonicContact NE-OE1 2.95Å; R795-E797 PolarHBondContact NE-OE1 3.28Å; R795-E797 IonicContact NE-OE2 3.06Å; R795-E797 PolarHBondContact NE-OE2 3.08Å; R795-E797 IonicContact NH2-OE1 2.9Å; R795-E797 PolarHBondContact NH2-OE1 3.37Å; R795-E797 IonicContact NH2-OE2 2.67Å; R795-E797 PolarHBondContact NH2-OE2 2.92Å; R795-E797 PolarHBondContact O-N 3.43Å | ||
| 798 | T | 27.1 | Very low | 32.4 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | trans | 32.4 | 133.9 | 133.1 | 62 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 799 | S | 31.2 | Very low | 32.4 | Very low | 76 Ų | 76 | 145.6 Ų | 145.6 | 53% | 0.531 | 73% | 0.734 | S | S | . | * | cis | 177 | -172.1 | 1.5 | 40.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 800 | E | 32.4 | Very low | 32.5 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | 68.2 | 140.5 | 151 | -75.8 | 137.1 | -115.4 | 0 | 0 | 118.3 | ||||
| 801 | E | 33.3 | Very low | 33.1 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | 40.3 | 132.3 | 128.3 | -53.2 | -177 | 172.1 | 0 | 0 | 119.8 | |||||
| 802 | S | 33.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -169.7 | -177.3 | -0.1 | -111.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 803 | E | 31.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 7.3 | 132.5 | 132.7 | -53.9 | -178.7 | 154 | 0 | 0 | 115.6 | ||||
| 804 | S | 31.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | 170.6 | -167.8 | 28 | 40.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 805 | V | 33.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | 78.8 | 120.5 | 156.6 | -174.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 806 | E | 34.6 | Very low | 35.1 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -47 | 155 | 164.5 | -58.9 | 144.9 | 110.7 | 0 | 0 | 115.4 | ||||
| 807 | S | 32.7 | Very low | 35.2 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | 172.2 | 133.4 | 106.3 | 44.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 808 | D | 36.5 | Very low | 36 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 48.2 | 104.4 | 136.4 | -63 | -17.6 | 0 | 0 | 0 | 124.3 | ||||
| 809 | Y | 37.6 | Very low | 36.7 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | 90.1 | 133.4 | 119.6 | -91.3 | -90.3 | 0 | 0 | 0 | 124 | |||||
| 810 | E | 40 | Very low | 37.2 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 63.7 | 158 | 161.8 | -75 | -137.1 | 123.6 | 0 | 0 | 120.2 | ||||
| 811 | P | 39.5 | Very low | 37.8 | Very low | 110 Ų | 110 | 157.9 Ų | 157.9 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | cis | -119.9 | 152.6 | -5.4 | 30.1 | -12.4 | 0 | 0 | 0 | 115.1 | ||||
| 812 | L | 45 | Very low | 38.6 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -72.3 | 145.5 | 159.6 | -69.3 | 173.9 | 0 | 0 | 0 | 109 | ||||
| 813 | P | 41.2 | Very low | 39.2 | Very low | 111 Ų | 111 | 160 Ų | 160 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | -157.2 | 154.9 | 67.2 | 39.7 | -19.1 | 0 | 0 | 0 | 118.7 | |||||
| 814 | C | 33.8 | Very low | 40.5 | Very low | 122 Ų | 122 | 160.3 Ų | 160.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | 174.2 | 138.8 | 112.6 | -90.9 | 0 | 0 | 0 | 0 | 112.6 | N816 | C814-N816 PolarHBondContact O-N 2.87Š| |||
| 815 | R | 35.7 | Very low | 42.5 | Very low | 244 Ų | 244 | 161.2 Ų | 161.2 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -84.7 | 103.3 | 178.1 | -80 | 179.9 | 167.3 | 153.5 | -3.2 | 112.1 | ||||
| 816 | N | 38.2 | Very low | 44.3 | Very low | 156 Ų | 156 | 159.1 Ų | 159.1 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -111.3 | 115.1 | 155.9 | -90.9 | -25.1 | 0 | 0 | 0 | 109.3 | C814 R818 | C814-N816 PolarHBondContact O-N 2.87Å; N816-R818 PolarHBondContact O-N 2.94Å | ||
| 817 | T | 39.6 | Very low | 46 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | trans | -77.8 | 84.2 | -178.9 | 49.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 818 | R | 47.1 | Very low | 48.2 | Very low | 246 Ų | 246 | 152.7 Ų | 152.7 | 93% | 0.928 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 125 | 164 | -84.8 | -170.7 | 167.6 | -150.6 | -3.1 | 109.6 | N816 R820 | N816-R818 PolarHBondContact O-N 2.94Å; R818-R820 PolarHBondContact O-N 2.95Å |
| 819 | Q | 42.4 | Very low | 50 | Low | 148 Ų | 148 | 148.3 Ų | 148.3 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.3 | 175.6 | -164.8 | 167.8 | -2.8 | 0 | 0 | 108.2 | Q821 | Q819-Q821 PolarHBondContact O-N 3.42Š|
| 820 | R | 42.1 | Very low | 51.8 | Low | 227 Ų | 227 | 140.3 Ų | 140.3 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 125.7 | 168.2 | -87.7 | -174.2 | 168.8 | -171.6 | -4.1 | 107.8 | R818 V822 | R818-R820 PolarHBondContact O-N 2.95Å; R820-V822 PolarHBondContact O-N 2.92Å |
| 821 | Q | 44.6 | Very low | 53.8 | Low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.8 | 161.7 | -75.8 | 174.2 | -38.8 | 0 | 0 | 107.6 | Q819 | Q819-Q821 PolarHBondContact O-N 3.42Š|
| 822 | V | 49 | Very low | 55.8 | Low | 86 Ų | 86 | 138.9 Ų | 138.9 | 52% | 0.521 | 66% | 0.663 | S | S | . | * | trans | -92.7 | 109.1 | 166 | -178.2 | 0 | 0 | 0 | 0 | 106.3 | R820 Y824 | R820-V822 PolarHBondContact O-N 2.92Å; V822-Y824 HydrophobicContact CB-CD2 4.45Å; V822-Y824 HydrophobicContact CB-CE2 4.06Å; V822-Y824 HydrophobicContact CG1-CD2 3.99Å; V822-Y824 HydrophobicContact CG1-CE1 4.5Å; V822-Y824 HydrophobicContact CG1-CE2 3.69Å; V822-Y824 PolarHBondContact O-N 3.29Å | ||
| 823 | R | 46.8 | Very low | 57.5 | Low | 222 Ų | 222 | 133.1 Ų | 133.1 | 84% | 0.838 | 63% | 0.633 | S | S | * | * | trans | -79.5 | 106.3 | 168.4 | -77 | -175.6 | 166.2 | -167.4 | -8.7 | 107.4 | ||||
| 824 | Y | 59.4 | Low | 59.3 | Low | 181 Ų | 181 | 129.4 Ų | 129.4 | 71% | 0.71 | 61% | 0.607 | S | S | * | * | trans | -77.8 | 131 | 168.5 | -72.5 | -90.3 | 0 | 0 | 0 | 108.7 | V822 | V822-Y824 HydrophobicContact CB-CD2 4.45Å; V822-Y824 HydrophobicContact CB-CE2 4.06Å; V822-Y824 HydrophobicContact CG1-CD2 3.99Å; V822-Y824 HydrophobicContact CG1-CE1 4.5Å; V822-Y824 HydrophobicContact CG1-CE2 3.69Å; V822-Y824 PolarHBondContact O-N 3.29Å | ||
| 825 | K | 73.6 | Confident | 61.8 | Low | 122 Ų | 122 | 128.9 Ų | 128.9 | 53% | 0.53 | 59% | 0.592 | S | S | . | * | trans | -84 | 116.6 | 168.9 | -56.5 | -163.2 | -146 | 101.8 | 0 | 108.7 | S827 E828 A829 | K825-S827 VanDerWaalsContact C-N 3.26Å; K825-S827 PolarHBondContact O-N 3.39Å; K825-E828 HydrophobicContact CB-CB 3.73Å; K825-E828 WeakPolarHBondContact CB-OE2 3.19Å; K825-E828 WeakPolarHBondContact CD-OE2 3.43Å; K825-E828 WeakPolarHBondContact CE-OE2 3.3Å; K825-E828 WeakPolarHBondContact CG-OE2 3.46Å; K825-E828 IonicContact NZ-OE1 2.8Å; K825-E828 PolarHBondContact NZ-OE1 2.79Å; K825-E828 IonicContact NZ-OE2 3.13Å; K825-E828 PolarHBondContact NZ-OE2 2.92Å; K825-E828 PolarHBondContact O-N 3.33Å; K825-A829 PolarHBondContact O-N 2.7Å | ||
| 826 | V | 70.7 | Confident | 64 | Low | 78 Ų | 78 | 119 Ų | 119 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.3 | -34.7 | 178.1 | 176.3 | 0 | 0 | 0 | 0 | 111 | E828 A829 F830 | V826-E828 VanDerWaalsContact C-N 3.35Å; V826-E828 PolarHBondContact O-N 2.69Å; V826-A829 PolarHBondContact O-N 2.8Å; V826-F830 HydrophobicContact CG1-CD2 3.74Å; V826-F830 HydrophobicContact CG1-CE2 3.48Å; V826-F830 VanDerWaalsContact CG1-CE2 3.48Å; V826-F830 HydrophobicContact CG1-CZ 4.42Å; V826-F830 WeakPolarHBondContact O-CD2 3.44Å; V826-F830 PolarHBondContact O-N 3.14Å |
| 827 | S | 71.6 | Confident | 65.9 | Low | 45 Ų | 45 | 113 Ų | 113 | 32% | 0.315 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 175.1 | 46.1 | 0 | 0 | 0 | 0 | 113.9 | H535 K825 K831 | H535-S827 WeakPolarHBondContact NE2-CA 3.4Å; H535-S827 VanDerWaalsContact NE2-CB 3.34Å; H535-S827 WeakPolarHBondContact NE2-CB 3.33Å; H535-S827 PolarHBondContact NE2-O 2.87Å; K825-S827 VanDerWaalsContact C-N 3.26Å; K825-S827 PolarHBondContact O-N 3.39Å; S827-K831 PolarHBondContact O-N 3.15Å |
| 828 | E | 77.2 | Confident | 68.1 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.4 | -45.1 | 178.8 | -164.8 | 162.8 | -146.7 | 0 | 0 | 110.3 | K825 V826 F830 K831 E832 | K825-E828 HydrophobicContact CB-CB 3.73Å; K825-E828 WeakPolarHBondContact CB-OE2 3.19Å; K825-E828 WeakPolarHBondContact CD-OE2 3.43Å; K825-E828 WeakPolarHBondContact CE-OE2 3.3Å; K825-E828 WeakPolarHBondContact CG-OE2 3.46Å; K825-E828 IonicContact NZ-OE1 2.8Å; K825-E828 PolarHBondContact NZ-OE1 2.79Å; K825-E828 IonicContact NZ-OE2 3.13Å; K825-E828 PolarHBondContact NZ-OE2 2.92Å; K825-E828 PolarHBondContact O-N 3.33Å; V826-E828 VanDerWaalsContact C-N 3.35Å; V826-E828 PolarHBondContact O-N 2.69Å; E828-F830 VanDerWaalsContact C-N 3.32Å; E828-F830 PolarHBondContact O-N 2.81Å; E828-K831 PolarHBondContact O-N 3.34Å; E828-E832 PolarHBondContact O-N 3.39Å |
| 829 | A | 75.8 | Confident | 69.8 | Low | 47 Ų | 47 | 102.6 Ų | 102.6 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K825 V826 L833 | K825-A829 PolarHBondContact O-N 2.7Å; V826-A829 PolarHBondContact O-N 2.8Å; A829-L833 WeakPolarHBondContact O-CG 3.31Å; A829-L833 PolarHBondContact O-N 3.34Å |
| 830 | F | 74.9 | Confident | 71.6 | Confident | 43 Ų | 43 | 99.4 Ų | 99.4 | 19% | 0.189 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -72 | -38.8 | 171 | -82.7 | -51.2 | 0 | 0 | 0 | 112.3 | M687 V826 E828 L833 D834 | M687-F830 HydrophobicContact CE-CE1 4.41Å; M687-F830 HydrophobicContact CE-CZ 4.09Å; M687-F830 HydrophobicContact SD-CE1 4.04Å; M687-F830 HydrophobicContact SD-CZ 4.09Å; V826-F830 HydrophobicContact CG1-CD2 3.74Å; V826-F830 HydrophobicContact CG1-CE2 3.48Å; V826-F830 VanDerWaalsContact CG1-CE2 3.48Å; V826-F830 HydrophobicContact CG1-CZ 4.42Å; V826-F830 WeakPolarHBondContact O-CD2 3.44Å; V826-F830 PolarHBondContact O-N 3.14Å; E828-F830 VanDerWaalsContact C-N 3.32Å; E828-F830 PolarHBondContact O-N 2.81Å; F830-L833 HydrophobicContact CD1-CD1 4.36Å; F830-L833 WeakPolarHBondContact O-CB 3.47Å; F830-L833 PolarHBondContact O-N 2.76Å; F830-L833 VanDerWaalsContact O-N 3.15Å; F830-D834 PolarHBondContact O-N 3.27Å |
| 831 | K | 82.4 | Confident | 73.5 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 52% | 0.522 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.8 | -177.2 | 169 | 177 | 165.6 | 0 | 112.1 | S827 E828 L833 D834 E835 | S827-K831 PolarHBondContact O-N 3.15Å; E828-K831 PolarHBondContact O-N 3.34Å; K831-L833 PolarHBondContact O-N 3.46Å; K831-D834 PolarHBondContact O-N 3.05Å; K831-D834 VanDerWaalsContact O-N 3.15Å; K831-E835 WeakPolarHBondContact CE-OE1 3.31Å; K831-E835 HydrophobicContact CG-CG 4.46Å; K831-E835 WeakPolarHBondContact O-CG 3.37Å; K831-E835 PolarHBondContact O-N 2.83Å |
| 832 | E | 81.6 | Confident | 75.6 | Confident | 132 Ų | 132 | 92.9 Ų | 92.9 | 62% | 0.617 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57.5 | -31.1 | 171.6 | -72.4 | -178.6 | 168.9 | 0 | 0 | 112.6 | E828 A836 | E828-E832 PolarHBondContact O-N 3.39Å; E832-A836 VanDerWaalsContact O-CB 3.31Å; E832-A836 WeakPolarHBondContact O-CB 3.46Å; E832-A836 PolarHBondContact O-N 3.05Å |
| 833 | L | 79.3 | Confident | 77.3 | Confident | 40 Ų | 40 | 95.5 Ų | 95.5 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -77.4 | -36.7 | 175.6 | -78.1 | 167.9 | 0 | 0 | 0 | 112.9 | R690 F693 V694 A829 F830 K831 A836 L837 | R690-L833 HydrophobicContact CG-CB 4.36Å; F693-L833 HydrophobicContact CD1-CD2 3.88Å; F693-L833 HydrophobicContact CE1-CD2 3.94Å; V694-L833 HydrophobicContact CG2-CD1 4.45Å; V694-L833 HydrophobicContact CG2-CD2 4.42Å; A829-L833 WeakPolarHBondContact O-CG 3.31Å; A829-L833 PolarHBondContact O-N 3.34Å; F830-L833 HydrophobicContact CD1-CD1 4.36Å; F830-L833 WeakPolarHBondContact O-CB 3.47Å; F830-L833 PolarHBondContact O-N 2.76Å; F830-L833 VanDerWaalsContact O-N 3.15Å; K831-L833 PolarHBondContact O-N 3.46Å; L833-A836 PolarHBondContact O-N 3.02Å; L833-L837 VanDerWaalsContact O-CG 3.3Å; L833-L837 WeakPolarHBondContact O-CG 3.38Å; L833-L837 PolarHBondContact O-N 2.99Å |
| 834 | D | 80.2 | Confident | 78.8 | Confident | 33 Ų | 33 | 90 Ų | 90 | 18% | 0.176 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.4 | -49.2 | 174.5 | -63 | -33.2 | 0 | 0 | 0 | 110.8 | R690 F830 K831 A836 L837 E838 | R690-D834 IonicContact CZ-OD1 3.37Å; R690-D834 VanDerWaalsContact CZ-OD1 3.24Å; R690-D834 IonicContact CZ-OD2 2.69Å; R690-D834 IonicContact NE-OD1 2.67Å; R690-D834 PolarHBondContact NE-OD1 3.21Å; R690-D834 IonicContact NE-OD2 3.92Å; R690-D834 IonicContact NH2-OD1 2.66Å; R690-D834 PolarHBondContact NH2-OD1 3.38Å; R690-D834 IonicContact NH2-OD2 2.74Å; R690-D834 PolarHBondContact NH2-OD2 2.92Å; F830-D834 PolarHBondContact O-N 3.27Å; K831-D834 PolarHBondContact O-N 3.05Å; K831-D834 VanDerWaalsContact O-N 3.15Å; D834-A836 PolarHBondContact O-N 3.1Å; D834-L837 PolarHBondContact O-N 3.04Å; D834-E838 WeakPolarHBondContact O-CG 3.24Å; D834-E838 PolarHBondContact O-N 3.09Å |
| 835 | E | 84.9 | Confident | 79.9 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 52% | 0.519 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.7 | -33.9 | 176.2 | -69.8 | 177.1 | -164.3 | 0 | 0 | 111.9 | K831 A839 | K831-E835 WeakPolarHBondContact CE-OE1 3.31Å; K831-E835 HydrophobicContact CG-CG 4.46Å; K831-E835 WeakPolarHBondContact O-CG 3.37Å; K831-E835 PolarHBondContact O-N 2.83Å; E835-A839 VanDerWaalsContact O-CB 3.29Å; E835-A839 WeakPolarHBondContact O-CB 3.44Å; E835-A839 PolarHBondContact O-N 3.46Å |
| 836 | A | 82.4 | Confident | 80.5 | Confident | 37 Ų | 37 | 83.7 Ų | 83.7 | 31% | 0.306 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.8 | -37 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E832 L833 D834 D840 | E832-A836 VanDerWaalsContact O-CB 3.31Å; E832-A836 WeakPolarHBondContact O-CB 3.46Å; E832-A836 PolarHBondContact O-N 3.05Å; L833-A836 PolarHBondContact O-N 3.02Å; D834-A836 PolarHBondContact O-N 3.1Å; A836-D840 PolarHBondContact O-N 3.23Å |
| 837 | L | 79.2 | Confident | 81.2 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.6 | -48.9 | 176.1 | -75.5 | 169 | 0 | 0 | 0 | 111 | E689 R690 F693 L833 D834 A839 D840 E841 | E689-L837 HydrophobicContact CB-CD1 4.3Å; R690-L837 HydrophobicContact CG-CD1 3.94Å; F693-L837 HydrophobicContact CB-CD2 4.2Å; F693-L837 HydrophobicContact CD2-CD2 3.77Å; F693-L837 HydrophobicContact CE2-CD2 4.41Å; F693-L837 HydrophobicContact CG-CD2 4.16Å; L833-L837 VanDerWaalsContact O-CG 3.3Å; L833-L837 WeakPolarHBondContact O-CG 3.38Å; L833-L837 PolarHBondContact O-N 2.99Å; D834-L837 PolarHBondContact O-N 3.04Å; L837-A839 PolarHBondContact O-N 3.07Å; L837-D840 PolarHBondContact O-N 2.9Å; L837-E841 WeakPolarHBondContact O-CG 3.23Å; L837-E841 PolarHBondContact O-N 3.44Å |
| 838 | E | 84 | Confident | 81.5 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59 | -36.6 | 176.3 | -68.9 | -179.5 | -177.2 | 0 | 0 | 111.8 | D834 K842 | D834-E838 WeakPolarHBondContact O-CG 3.24Å; D834-E838 PolarHBondContact O-N 3.09Å; E838-K842 WeakPolarHBondContact O-CB 3.44Å; E838-K842 PolarHBondContact O-N 3.06Å |
| 839 | A | 83.2 | Confident | 81.8 | Confident | 58 Ų | 58 | 90.2 Ų | 90.2 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | E835 L837 Y843 | E835-A839 VanDerWaalsContact O-CB 3.29Å; E835-A839 WeakPolarHBondContact O-CB 3.44Å; E835-A839 PolarHBondContact O-N 3.46Å; L837-A839 PolarHBondContact O-N 3.07Å; A839-Y843 VanDerWaalsContact O-CB 3.27Å; A839-Y843 WeakPolarHBondContact O-CB 3.36Å; A839-Y843 PolarHBondContact O-N 2.86Å |
| 840 | D | 80.6 | Confident | 82.1 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 43% | 0.433 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.6 | -32.9 | 176.9 | -114.1 | 11.2 | 0 | 0 | 0 | 112 | A836 L837 Q844 | A836-D840 PolarHBondContact O-N 3.23Å; L837-D840 PolarHBondContact O-N 2.9Å; D840-Q844 WeakPolarHBondContact O-CB 3.4Å; D840-Q844 VanDerWaalsContact O-CG 3.26Å; D840-Q844 WeakPolarHBondContact O-CG 3.43Å; D840-Q844 PolarHBondContact O-N 3.14Å; D840-Q844 PolarHBondContact O-NE2 3.15Å; D840-Q844 VanDerWaalsContact O-NE2 3.15Å |
| 841 | E | 82.4 | Confident | 82.4 | Confident | 110 Ų | 110 | 96.9 Ų | 96.9 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.4 | -51.9 | 171.5 | -73.2 | -174.8 | 166 | 0 | 0 | 111.5 | L837 Y843 Q844 E845 | L837-E841 WeakPolarHBondContact O-CG 3.23Å; L837-E841 PolarHBondContact O-N 3.44Å; E841-Y843 PolarHBondContact O-N 3.4Å; E841-Q844 CarbonylContact O-C 3.36Å; E841-Q844 WeakPolarHBondContact O-CA 3.24Å; E841-Q844 WeakPolarHBondContact O-CB 3.24Å; E841-Q844 PolarHBondContact O-N 3.22Å; E841-E845 PolarHBondContact O-N 3.46Å |
| 842 | K | 87.8 | Confident | 82.3 | Confident | 164 Ų | 164 | 98 Ų | 98 | 71% | 0.713 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.5 | -35.7 | 176 | -173.6 | 170.4 | -174.2 | 169.1 | 0 | 112.3 | E838 E846 | E838-K842 WeakPolarHBondContact O-CB 3.44Å; E838-K842 PolarHBondContact O-N 3.06Å; K842-E846 WeakPolarHBondContact O-CB 3.36Å; K842-E846 PolarHBondContact O-N 2.96Å |
| 843 | Y | 86.2 | Confident | 82.2 | Confident | 141 Ų | 141 | 99.1 Ų | 99.1 | 55% | 0.553 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 171.4 | 177.6 | -97.8 | 0 | 0 | 0 | 112.4 | A839 E841 K847 | A839-Y843 VanDerWaalsContact O-CB 3.27Å; A839-Y843 WeakPolarHBondContact O-CB 3.36Å; A839-Y843 PolarHBondContact O-N 2.86Å; E841-Y843 PolarHBondContact O-N 3.4Å; Y843-K847 HydrophobicContact CE1-CD 4.4Å; Y843-K847 WeakPolarHBondContact O-CB 3.43Å; Y843-K847 PolarHBondContact O-N 3.47Å |
| 844 | Q | 77.1 | Confident | 82 | Confident | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 175.1 | -76.9 | 175 | 90.9 | 0 | 0 | 112.6 | D840 E841 K847 Q848 | D840-Q844 WeakPolarHBondContact O-CB 3.4Å; D840-Q844 VanDerWaalsContact O-CG 3.26Å; D840-Q844 WeakPolarHBondContact O-CG 3.43Å; D840-Q844 PolarHBondContact O-N 3.14Å; D840-Q844 PolarHBondContact O-NE2 3.15Å; D840-Q844 VanDerWaalsContact O-NE2 3.15Å; E841-Q844 CarbonylContact O-C 3.36Å; E841-Q844 WeakPolarHBondContact O-CA 3.24Å; E841-Q844 WeakPolarHBondContact O-CB 3.24Å; E841-Q844 PolarHBondContact O-N 3.22Å; Q844-K847 WeakPolarHBondContact O-CB 3.32Å; Q844-K847 PolarHBondContact O-N 3.1Å; Q844-Q848 WeakPolarHBondContact O-CG 3.49Å; Q844-Q848 PolarHBondContact O-N 3.34Å |
| 845 | E | 83.5 | Confident | 81.5 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -52.2 | 172.6 | -74 | -144.6 | 150.2 | 0 | 0 | 111.4 | E841 K847 Q848 R849 | E841-E845 PolarHBondContact O-N 3.46Å; E845-K847 PolarHBondContact O-N 2.87Å; E845-Q848 CarbonylContact O-C 3.6Å; E845-Q848 WeakPolarHBondContact O-CA 3.48Å; E845-Q848 WeakPolarHBondContact O-CB 3.43Å; E845-Q848 PolarHBondContact O-N 2.98Å; E845-R849 WeakPolarHBondContact O-CG 3.43Å; E845-R849 PolarHBondContact O-N 3.24Å; E845-R849 IonicContact OE2-NE 2.67Å; E845-R849 IonicContact OE2-NH2 3.93Å; E845-R849 PolarHBondContact OE2-NH2 3.08Å |
| 846 | E | 85.4 | Confident | 80.2 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 29% | 0.294 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -31.1 | -178.1 | 178.5 | 53.3 | -159.6 | 0 | 0 | 111.5 | K842 R849 K850 | K842-E846 WeakPolarHBondContact O-CB 3.36Å; K842-E846 PolarHBondContact O-N 2.96Å; E846-R849 PolarHBondContact O-N 3.02Å; E846-K850 WeakPolarHBondContact O-CB 3.47Å; E846-K850 VanDerWaalsContact O-CG 3.31Å; E846-K850 WeakPolarHBondContact O-CG 3.38Å; E846-K850 PolarHBondContact O-N 3.19Å; E846-K850 IonicContact OE1-NZ 2.79Å; E846-K850 PolarHBondContact OE1-NZ 3.09Å |
| 847 | K | 85.5 | Confident | 78.9 | Confident | 94 Ų | 94 | 108.6 Ų | 108.6 | 41% | 0.409 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 168.8 | -175.9 | -176 | 176.6 | -162.7 | 0 | 111.7 | Y843 Q844 E845 L851 | Y843-K847 HydrophobicContact CE1-CD 4.4Å; Y843-K847 WeakPolarHBondContact O-CB 3.43Å; Y843-K847 PolarHBondContact O-N 3.47Å; Q844-K847 WeakPolarHBondContact O-CB 3.32Å; Q844-K847 PolarHBondContact O-N 3.1Å; E845-K847 PolarHBondContact O-N 2.87Å; K847-L851 WeakPolarHBondContact O-CB 3.17Å; K847-L851 PolarHBondContact O-N 2.97Å |
| 848 | Q | 78.6 | Confident | 77.6 | Confident | 116 Ų | 116 | 114.6 Ų | 114.6 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 173 | -73.1 | -170.3 | 49.9 | 0 | 0 | 112.4 | Q844 E845 L851 K852 | Q844-Q848 WeakPolarHBondContact O-CG 3.49Å; Q844-Q848 PolarHBondContact O-N 3.34Å; E845-Q848 CarbonylContact O-C 3.6Å; E845-Q848 WeakPolarHBondContact O-CA 3.48Å; E845-Q848 WeakPolarHBondContact O-CB 3.43Å; E845-Q848 PolarHBondContact O-N 2.98Å; Q848-L851 WeakPolarHBondContact O-CB 3.35Å; Q848-L851 PolarHBondContact O-N 3.35Å; Q848-L851 VanDerWaalsContact O-N 3.14Å; Q848-K852 WeakPolarHBondContact O-CB 3.27Å; Q848-K852 WeakPolarHBondContact O-CG 3.29Å; Q848-K852 PolarHBondContact O-N 2.92Å |
| 849 | R | 82 | Confident | 75.9 | Confident | 146 Ų | 146 | 117.4 Ų | 117.4 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 174.9 | -68.9 | 176.5 | -172.9 | -151.5 | 3.7 | 110.9 | E845 E846 L851 K852 R853 | E845-R849 WeakPolarHBondContact O-CG 3.43Å; E845-R849 PolarHBondContact O-N 3.24Å; E845-R849 IonicContact OE2-NE 2.67Å; E845-R849 IonicContact OE2-NH2 3.93Å; E845-R849 PolarHBondContact OE2-NH2 3.08Å; E846-R849 PolarHBondContact O-N 3.02Å; R849-L851 VanDerWaalsContact C-N 3.34Å; R849-L851 PolarHBondContact O-N 3.01Å; R849-K852 PolarHBondContact O-N 3.05Å; R849-R853 WeakPolarHBondContact O-CB 3.38Å; R849-R853 WeakPolarHBondContact O-CG 3.37Å; R849-R853 PolarHBondContact O-N 3.01Å |
| 850 | K | 83.7 | Confident | 74 | Confident | 114 Ų | 114 | 121 Ų | 121 | 50% | 0.496 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -36.5 | 171.9 | -77.1 | 178.3 | 166.4 | 81.4 | 0 | 112.9 | E846 K854 | E846-K850 WeakPolarHBondContact O-CB 3.47Å; E846-K850 VanDerWaalsContact O-CG 3.31Å; E846-K850 WeakPolarHBondContact O-CG 3.38Å; E846-K850 PolarHBondContact O-N 3.19Å; E846-K850 IonicContact OE1-NZ 2.79Å; E846-K850 PolarHBondContact OE1-NZ 3.09Å; K850-K854 WeakPolarHBondContact O-CG 3.46Å; K850-K854 PolarHBondContact O-N 2.63Å |
| 851 | L | 80.2 | Confident | 72.1 | Confident | 117 Ų | 117 | 125.5 Ų | 125.5 | 61% | 0.613 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.3 | -47.6 | 175.3 | -147.5 | 81 | 0 | 0 | 0 | 111.4 | K847 Q848 R849 R853 K854 T855 | K847-L851 WeakPolarHBondContact O-CB 3.17Å; K847-L851 PolarHBondContact O-N 2.97Å; Q848-L851 WeakPolarHBondContact O-CB 3.35Å; Q848-L851 PolarHBondContact O-N 3.35Å; Q848-L851 VanDerWaalsContact O-N 3.14Å; R849-L851 VanDerWaalsContact C-N 3.34Å; R849-L851 PolarHBondContact O-N 3.01Å; L851-R853 VanDerWaalsContact C-N 3.35Å; L851-R853 PolarHBondContact O-N 3.31Å; L851-K854 PolarHBondContact O-N 2.87Å; L851-T855 PolarHBondContact O-N 2.96Å; L851-T855 PolarHBondContact O-OG1 2.67Å |
| 852 | K | 80.6 | Confident | 70 | Confident | 142 Ų | 142 | 125.3 Ų | 125.3 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.5 | -41.8 | 176.7 | -72.9 | 176.7 | 179.4 | 179.7 | 0 | 111.9 | Q848 R849 T855 S856 | Q848-K852 WeakPolarHBondContact O-CB 3.27Å; Q848-K852 WeakPolarHBondContact O-CG 3.29Å; Q848-K852 PolarHBondContact O-N 2.92Å; R849-K852 PolarHBondContact O-N 3.05Å; K852-T855 WeakPolarHBondContact CA-OG1 3.41Å; K852-T855 PolarHBondContact O-N 3.39Å; K852-T855 PolarHBondContact O-OG1 3.36Å; K852-S856 PolarHBondContact O-N 3.31Å; K852-S856 VanDerWaalsContact O-N 3.08Å |
| 853 | R | 78.8 | Confident | 67.5 | Low | 156 Ų | 156 | 125 Ų | 125 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.4 | -51.8 | 171.4 | -80.5 | -178.2 | 172 | 155.4 | -3.4 | 111.6 | R849 L851 T855 S856 E857 | R849-R853 WeakPolarHBondContact O-CB 3.38Å; R849-R853 WeakPolarHBondContact O-CG 3.37Å; R849-R853 PolarHBondContact O-N 3.01Å; L851-R853 VanDerWaalsContact C-N 3.35Å; L851-R853 PolarHBondContact O-N 3.31Å; R853-T855 VanDerWaalsContact C-N 3.32Å; R853-T855 PolarHBondContact O-N 2.79Å; R853-S856 CarbonylContact O-C 3.57Å; R853-S856 WeakPolarHBondContact O-CA 3.41Å; R853-S856 WeakPolarHBondContact O-CB 3.26Å; R853-S856 PolarHBondContact O-N 3.44Å; R853-E857 WeakPolarHBondContact O-CG 3.21Å; R853-E857 PolarHBondContact O-N 2.76Å |
| 854 | K | 74.7 | Confident | 65.1 | Low | 144 Ų | 144 | 121.9 Ų | 121.9 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.5 | -40 | 177.6 | -76 | -173.5 | 173.9 | -162 | 0 | 113.5 | K850 L851 S856 E857 H858 | K850-K854 WeakPolarHBondContact O-CG 3.46Å; K850-K854 PolarHBondContact O-N 2.63Å; L851-K854 PolarHBondContact O-N 2.87Å; K854-S856 VanDerWaalsContact C-N 3.26Å; K854-S856 PolarHBondContact O-N 2.64Å; K854-E857 PolarHBondContact O-N 2.95Å; K854-H858 WeakPolarHBondContact O-CB 3.47Å; K854-H858 PolarHBondContact O-N 3.39Å |
| 855 | T | 70.1 | Confident | 63.4 | Low | 91 Ų | 91 | 125.7 Ų | 125.7 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.1 | -22.5 | 175.1 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | L851 K852 R853 | L851-T855 PolarHBondContact O-N 2.96Å; L851-T855 PolarHBondContact O-OG1 2.67Å; K852-T855 WeakPolarHBondContact CA-OG1 3.41Å; K852-T855 PolarHBondContact O-N 3.39Å; K852-T855 PolarHBondContact O-OG1 3.36Å; R853-T855 VanDerWaalsContact C-N 3.32Å; R853-T855 PolarHBondContact O-N 2.79Å |
| 856 | S | 58 | Low | 60.9 | Low | 71 Ų | 71 | 128.4 Ų | 128.4 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -84.4 | -39.9 | 173.3 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | K852 R853 K854 H858 Y859 | K852-S856 PolarHBondContact O-N 3.31Å; K852-S856 VanDerWaalsContact O-N 3.08Å; R853-S856 CarbonylContact O-C 3.57Å; R853-S856 WeakPolarHBondContact O-CA 3.41Å; R853-S856 WeakPolarHBondContact O-CB 3.26Å; R853-S856 PolarHBondContact O-N 3.44Å; K854-S856 VanDerWaalsContact C-N 3.26Å; K854-S856 PolarHBondContact O-N 2.64Å; S856-H858 VanDerWaalsContact C-N 3.35Å; S856-Y859 WeakPolarHBondContact O-CB 3.23Å; S856-Y859 PolarHBondContact O-N 2.84Å |
| 857 | E | 55.2 | Low | 58.9 | Low | 114 Ų | 114 | 131.6 Ų | 131.6 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 179 | -71.6 | 159.1 | 180 | 0 | 0 | 110.9 | R853 K854 Y859 N860 | R853-E857 WeakPolarHBondContact O-CG 3.21Å; R853-E857 PolarHBondContact O-N 2.76Å; K854-E857 PolarHBondContact O-N 2.95Å; E857-Y859 PolarHBondContact O-N 3.4Å; E857-Y859 VanDerWaalsContact O-N 3.14Å; E857-N860 PolarHBondContact O-N 2.72Å; E857-N860 VanDerWaalsContact O-N 3.14Å |
| 858 | H | 51.4 | Low | 56.4 | Low | 156 Ų | 156 | 134 Ų | 134 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -6.9 | 177.5 | -144.9 | -48.2 | 0 | 0 | 0 | 114.2 | K854 S856 | K854-H858 WeakPolarHBondContact O-CB 3.47Å; K854-H858 PolarHBondContact O-N 3.39Å; S856-H858 VanDerWaalsContact C-N 3.35Å |
| 859 | Y | 47.9 | Very low | 54.6 | Low | 173 Ų | 173 | 136.3 Ų | 136.3 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -8.5 | 174.5 | -113.3 | -89.1 | 0 | 0 | 0 | 113.7 | S856 E857 | S856-Y859 WeakPolarHBondContact O-CB 3.23Å; S856-Y859 PolarHBondContact O-N 2.84Å; E857-Y859 PolarHBondContact O-N 3.4Å; E857-Y859 VanDerWaalsContact O-N 3.14Å |
| 860 | N | 43.6 | Very low | 52.4 | Low | 133 Ų | 133 | 137.7 Ų | 137.7 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -115 | 16.5 | -169.2 | -70.7 | -12.9 | 0 | 0 | 0 | 113.9 | E857 | E857-N860 PolarHBondContact O-N 2.72Å; E857-N860 VanDerWaalsContact O-N 3.14Å |
| 861 | H | 42.3 | Very low | 50.2 | Low | 175 Ų | 175 | 140.7 Ų | 140.7 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -143.8 | 33.1 | -170.7 | -149.1 | 26.6 | 0 | 0 | 0 | 114.8 | ||
| 862 | T | 36.8 | Very low | 48.2 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | trans | -131.7 | 27.1 | 180 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 863 | D | 35.1 | Very low | 46 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -127.9 | 99.7 | 168.4 | -71.8 | -67 | 0 | 0 | 0 | 108 | ||||
| 864 | G | 37.1 | Very low | 44.2 | Very low | 76 Ų | 76 | 143.1 Ų | 143.1 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | -178.6 | 107.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 865 | E | 40.5 | Very low | 42.2 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -55.7 | 152.7 | -161.7 | -57.5 | 179.7 | 122.5 | 0 | 0 | 117.2 | V867 | E865-V867 PolarHBondContact O-N 2.65Š| ||
| 866 | N | 31.3 | Very low | 40.4 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 121 | 167.3 | -63 | -83.6 | 0 | 0 | 0 | 110.1 | ||||
| 867 | V | 42.8 | Very low | 39.4 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -122.4 | 132.3 | 157.6 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | E865 | E865-V867 PolarHBondContact O-N 2.65Š| ||
| 868 | I | 34.4 | Very low | 38.5 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -93.3 | 132.5 | 178.8 | -59.3 | 161.5 | 0 | 0 | 0 | 107.6 | ||||
| 869 | D | 40.4 | Very low | 37.9 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -155.1 | 144.9 | 147.9 | -95.8 | -38.5 | 0 | 0 | 0 | 109.4 | ||||
| 870 | E | 36.1 | Very low | 37.3 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -101.1 | -176.3 | -177.8 | -66.5 | -170.3 | 100.2 | 0 | 0 | 112.1 | ||||
| 871 | E | 37.8 | Very low | 37 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | 63.9 | 103 | 162.9 | -53 | -164.3 | 156.6 | 0 | 0 | 118.9 | ||||
| 872 | C | 37.6 | Very low | 36.8 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | -176.9 | 137.9 | 99.3 | -91.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 873 | E | 34.4 | Very low | 36.7 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -85.4 | 152.8 | 164.6 | -55.4 | -176.8 | 136.3 | 0 | 0 | 110.8 | ||||
| 874 | L | 40.1 | Very low | 36.8 | Very low | 163 Ų | 163 | 147.8 Ų | 147.8 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | 169.5 | 167.4 | 119.3 | -89.5 | 164.3 | 0 | 0 | 0 | 114.2 | |||||
| 875 | N | 32.6 | Very low | 36.9 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -98.2 | 147.7 | -168.7 | -69 | -92.3 | 0 | 0 | 0 | 113.7 | ||||
| 876 | G | 32.9 | Very low | 36.9 | Very low | 72 Ų | 72 | 150.2 Ų | 150.2 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -155.7 | 60.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 877 | H | 36.3 | Very low | 37.1 | Very low | 197 Ų | 197 | 150 Ų | 150 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | 51.8 | 129.8 | 150.5 | -90.3 | 55.9 | 0 | 0 | 0 | 123 | ||||
| 878 | T | 36.5 | Very low | 36.9 | Very low | 116 Ų | 116 | 149 Ų | 149 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | trans | -89.1 | 163.9 | 164.1 | 62.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 879 | P | 39.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | -133.5 | 175.5 | 121.7 | 37.4 | -28.1 | 0 | 0 | 0 | 114.4 | |||||
| 880 | K | 35 | Very low | 36.8 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -120.4 | 141.9 | -170.2 | -59.8 | 170.4 | -177.9 | 170.6 | 0 | 112.9 | ||||
| 881 | C | 36.5 | Very low | 36.7 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -162.1 | 152.7 | 150 | -164.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 882 | S | 38.1 | Very low | 36.7 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | -166.5 | 162.3 | -65.1 | 66.1 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 883 | R | 35.8 | Very low | 36.8 | Very low | 247 Ų | 247 | 141.9 Ų | 141.9 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | 66 | 84.2 | 168.7 | -51 | 177.4 | 82.8 | 100.5 | -3 | 117.3 | ||||
| 884 | G | 36.9 | Very low | 36.7 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -146.4 | 133.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 885 | K | 38.9 | Very low | 36.2 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -122.4 | 128.9 | -175.7 | -148.1 | 104.4 | 174.6 | -172.1 | 0 | 107.8 | ||||
| 886 | D | 41.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | -178.1 | 113.4 | 111.5 | -86.4 | -20.4 | 0 | 0 | 0 | 114.6 | S888 | D886-S888 PolarHBondContact O-N 3.38Š| |||
| 887 | L | 34 | Very low | 36.3 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 49.8 | 32.9 | 133.9 | -53.1 | -176.1 | 0 | 0 | 0 | 121.6 | ||||
| 888 | S | 39 | Very low | 36.2 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -107.9 | 41.5 | 166.1 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | D886 | D886-S888 PolarHBondContact O-N 3.38Š| ||
| 889 | N | 33.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -158.7 | 92.8 | 176.2 | -117.6 | -47.2 | 0 | 0 | 0 | 114.9 | ||||
| 890 | I | 38.9 | Very low | 35.7 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -138 | 113.3 | 158.6 | -69 | -171 | 0 | 0 | 0 | 108.9 | ||
| 891 | L | 33.7 | Very low | 35.4 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 75.4 | 72.2 | 166.5 | -60.5 | 169.5 | 0 | 0 | 0 | 119.4 | ||
| 892 | G | 38.1 | Very low | 35.1 | Very low | 59 Ų | 59 | 146.3 Ų | 146.3 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | -75.3 | -158.8 | 125.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 893 | P | 39.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | -131.1 | 151.4 | 15.4 | 40.8 | -24.8 | 0 | 0 | 0 | 117.1 | ||||
| 894 | D | 33 | Very low | 34.4 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -34.1 | 146.9 | 144 | 176.7 | 32.9 | 0 | 0 | 0 | 115.8 | ||||
| 895 | W | 30.4 | Very low | 34 | Very low | 233 Ų | 233 | 148.9 Ų | 148.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -153.8 | 134.3 | 158.9 | -81.4 | 102.1 | 0 | 0 | 0 | 110.9 | ||||
| 896 | K | 37.4 | Very low | 33.6 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 167.3 | -175.6 | -75.5 | -174.4 | 171.9 | -173.9 | 0 | 115.3 | ||||
| 897 | E | 29.1 | Very low | 33.1 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 162.8 | 172.1 | -63 | 127.9 | 145.6 | 0 | 0 | 114.1 | ||||
| 898 | S | 34.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 109.5 | 152.1 | -53.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 899 | E | 29.9 | Very low | 32.9 | Very low | 179 Ų | 179 | 162.6 Ų | 162.6 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -72.7 | 145 | 167 | -59.6 | -171.6 | 126.9 | 0 | 0 | 109.2 | ||||
| 900 | D | 35.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 167.3 Ų | 167.3 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -155.6 | 156.7 | 147 | -142.1 | -24 | 0 | 0 | 0 | 111.7 | ||||
| 901 | N | 29.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 171 Ų | 171 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -103 | 152.1 | -153.2 | -99.1 | -72.5 | 0 | 0 | 0 | 116 | ||||
| 902 | S | 29.5 | Very low | 33 | Very low | 111 Ų | 111 | 170.3 Ų | 170.3 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | 75.4 | 176.8 | 147.7 | -158.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 903 | I | 29.9 | Very low | 33.1 | Very low | 140 Ų | 140 | 170.8 Ų | 170.8 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | 67.3 | 90.3 | 166.8 | -46.1 | -171.1 | 0 | 0 | 0 | 118.3 | ||||
| 904 | R | 28.7 | Very low | 32.9 | Very low | 231 Ų | 231 | 172.8 Ų | 172.8 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | 47.3 | 120.2 | 130.9 | -61.1 | 175 | 170.9 | 167.6 | -3.6 | 120 | ||||
| 905 | S | 29 | Very low | 33.3 | Very low | 100 Ų | 100 | 174 Ų | 174 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | 69.2 | 123.8 | 126.3 | -163.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 906 | R | 30.7 | Very low | 33.5 | Very low | 232 Ų | 232 | 167.8 Ų | 167.8 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | 39.4 | 91.9 | 144.2 | -62.1 | 173.3 | 166 | 177.6 | -3.3 | 117.8 | ||||
| 907 | R | 30.9 | Very low | 33.4 | Very low | 244 Ų | 244 | 164.1 Ų | 164.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | -179.2 | 149.7 | 114.8 | -103 | 165.2 | 174.2 | -178.7 | -2.5 | 117 | |||||
| 908 | K | 33.9 | Very low | 33.8 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -3.1 | 123.7 | 148.9 | -71.6 | -179.7 | 174.5 | -178.9 | 0 | 118.5 | ||||
| 909 | K | 34.3 | Very low | 33.8 | Very low | 208 Ų | 208 | 160.7 Ų | 160.7 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | 49.6 | 105.2 | 110.5 | -162.3 | -176.3 | -173.1 | -174.6 | 0 | 116.7 | |||||
| 910 | R | 32.7 | Very low | 34.1 | Very low | 248 Ų | 248 | 156.6 Ų | 156.6 | 94% | 0.936 | 79% | 0.793 | S | S | * | * | trans | -121 | 149.3 | 166.2 | -100.6 | -177.4 | 165.4 | 177.9 | -5 | 112.1 | ||||
| 911 | R | 35.9 | Very low | 34 | Very low | 235 Ų | 235 | 154.1 Ų | 154.1 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 127.7 | 125.2 | 170.2 | -77 | -175 | -176.7 | -177.6 | 2.4 | 109.4 | ||||
| 912 | I | 40.6 | Very low | 34.4 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | cis | -154.7 | 168.2 | -9.8 | -121.5 | 160.1 | 0 | 0 | 0 | 106.9 | ||||
| 913 | A | 38.8 | Very low | 34.7 | Very low | 70 Ų | 70 | 159.9 Ų | 159.9 | 58% | 0.579 | 80% | 0.798 | S | S | * | * | trans | 69.5 | 114.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 914 | D | 37.2 | Very low | 35 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 77.2 | 132 | 117.5 | -53 | -12.2 | 0 | 0 | 0 | 123.3 | |||||
| 915 | L | 39.9 | Very low | 35.4 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 64.9 | 99 | 154.2 | -61 | 170.5 | 0 | 0 | 0 | 119.8 | ||||
| 916 | S | 34.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 155.6 Ų | 155.6 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | 52 | 125 | 121.7 | -54.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 917 | S | 36.2 | Very low | 36.2 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 63.5 | 107.6 | 145.2 | 52.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 918 | S | 36.8 | Very low | 36.6 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | 84.8 | 121.1 | 123.5 | -57 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 919 | S | 35.6 | Very low | 37 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 88.7 | 135.2 | 137.4 | -151.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 920 | S | 36.2 | Very low | 37.3 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | 42.5 | 102.7 | 145 | 56.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 921 | S | 32.7 | Very low | 37.6 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | 14.5 | 130.6 | 125.3 | 56.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 922 | E | 38.1 | Very low | 37.9 | Very low | 194 Ų | 194 | 129 Ų | 129 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | -157 | -168.7 | 125.3 | -120.8 | 167 | -152.3 | 0 | 0 | 112.9 | |||||
| 923 | H | 35.6 | Very low | 37.7 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | -105.4 | 163.2 | -152.4 | -94.7 | -85.2 | 0 | 0 | 0 | 117.2 | ||||
| 924 | S | 36.9 | Very low | 37.5 | Very low | 91 Ų | 91 | 134.8 Ų | 134.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 71 | 118.9 | 139.5 | 57.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 925 | N | 36.7 | Very low | 37.3 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | 81.7 | 138.4 | 124.2 | -65.9 | 29.7 | 0 | 0 | 0 | 123 | |||||
| 926 | E | 38.5 | Very low | 36.9 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | 67.7 | 139.9 | 143.4 | -75.7 | 150.7 | -126.7 | 0 | 0 | 119 | ||||
| 927 | D | 38.6 | Very low | 36.8 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | cis | -161.1 | 169 | -6.8 | -155.9 | -6.4 | 0 | 0 | 0 | 111.6 | ||||
| 928 | S | 39.4 | Very low | 36.6 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 66.7 | 156 | 161.3 | -102 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 929 | V | 42.5 | Very low | 36.6 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -145.5 | 158.9 | -6.8 | -140.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 930 | D | 39.3 | Very low | 36.5 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | 56.3 | 142.7 | 153.6 | -94.8 | -56.5 | 0 | 0 | 0 | 123 | ||||
| 931 | G | 39.2 | Very low | 36.4 | Very low | 72 Ų | 72 | 150.4 Ų | 150.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 173.1 | 1.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 932 | K | 41.9 | Very low | 36.6 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | 50.6 | 102.7 | 169.3 | -72.5 | 171.4 | -179.3 | 159.3 | 0 | 120.3 | ||||
| 933 | A | 36.3 | Very low | 36.6 | Very low | 93 Ų | 93 | 150.4 Ų | 150.4 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | 96.7 | 137.2 | 116 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 934 | R | 35.2 | Very low | 36.4 | Very low | 249 Ų | 249 | 151.1 Ų | 151.1 | 94% | 0.94 | 79% | 0.786 | S | S | * | * | trans | 80.9 | 133.9 | 170.1 | -59 | -168.8 | 173.2 | -159.4 | -3 | 116.2 | ||||
| 935 | R | 33.5 | Very low | 36.5 | Very low | 246 Ų | 246 | 155.7 Ų | 155.7 | 93% | 0.928 | 80% | 0.795 | S | S | * | * | trans | -115.5 | 143.8 | -156.8 | -68.6 | 177.6 | 172.5 | 166.5 | -4.2 | 112.1 | ||||
| 936 | S | 31 | Very low | 36.5 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -138.6 | 114.9 | 164.4 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 937 | C | 31.9 | Very low | 36.1 | Very low | 105 Ų | 105 | 152.4 Ų | 152.4 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -169.6 | 134.5 | 169.8 | 35 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 938 | R | 32.2 | Very low | 35.7 | Very low | 243 Ų | 243 | 150.7 Ų | 150.7 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | cis | 61.1 | 96.6 | 31.2 | -66.6 | -171 | 172.8 | -177.2 | -1.8 | 114.6 | ||||
| 939 | A | 36.6 | Very low | 35.3 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -163.7 | 133 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 940 | R | 34.9 | Very low | 34.7 | Very low | 218 Ų | 218 | 152.3 Ų | 152.3 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | 49.3 | 120.9 | 144.4 | -59.4 | -155.6 | 153.2 | 132.8 | -4.5 | 120.1 | ||||
| 941 | D | 33.7 | Very low | 34.4 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 83.6 | 166.1 | 61.4 | -58.4 | -36.1 | 0 | 0 | 0 | 111.5 | |||||
| 942 | E | 37.5 | Very low | 34.3 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 78 | 77.1 | -175 | -45.2 | -52.5 | 129.1 | 0 | 0 | 118 | ||||
| 943 | D | 36.7 | Very low | 33.8 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | 71.7 | 156.2 | 112.6 | -99.8 | 37.4 | 0 | 0 | 0 | 126.9 | |||||
| 944 | F | 31.7 | Very low | 33.9 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 80.2 | 138.2 | 161.6 | -96.7 | -111.5 | 0 | 0 | 0 | 123.8 | ||||
| 945 | K | 39.5 | Very low | 34.1 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -102.2 | 155.6 | 163.3 | -59.6 | 176 | 177.8 | 177.1 | 0 | 109.2 | ||||
| 946 | P | 35.4 | Very low | 34.3 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -138.7 | 165.8 | 91.9 | 22.9 | -0.6 | 0 | 0 | 0 | 111.9 | |||||
| 947 | S | 31 | Very low | 34.8 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | cis | 75.3 | 124.2 | 41.9 | -164.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 948 | S | 29.5 | Very low | 35.1 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 60.2 | 151.6 | 160.1 | 33 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 949 | S | 31.1 | Very low | 35.5 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 74% | 0.741 | S | S | * | * | cis | -165.6 | 161.6 | -13.2 | 45.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 950 | E | 30.9 | Very low | 35.5 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 71% | 0.712 | S | S | * | * | trans | 57.7 | 157.9 | 145.4 | -68.6 | 152.2 | -140.3 | 0 | 0 | 120.3 | ||||
| 951 | V | 33.5 | Very low | 35.8 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | cis | -159.2 | 161.4 | -17 | -94.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 952 | S | 35.8 | Very low | 36 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | 65 | 158.7 | 144.6 | -68.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 953 | E | 32.3 | Very low | 36 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 68% | 0.677 | S | S | * | * | cis | -159.9 | -162.7 | -6.5 | -121.4 | 150 | -130.9 | 0 | 0 | 112.3 | ||||
| 954 | S | 37.4 | Very low | 35.9 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | 76.7 | 119.7 | -178.1 | 65 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 955 | E | 39.2 | Very low | 36.1 | Very low | 181 Ų | 181 | 122 Ų | 122 | 85% | 0.846 | 66% | 0.663 | S | S | * | * | cis | 87.3 | 143.6 | 44.3 | -65.9 | 174.5 | 142 | 0 | 0 | 112.8 | ||||
| 956 | D | 38.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 116.9 Ų | 116.9 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | cis | -77.6 | -149 | 11.9 | -38.7 | -101.1 | 0 | 0 | 0 | 116.1 | ||||
| 957 | D | 40.4 | Very low | 36 | Very low | 153 Ų | 153 | 117.7 Ų | 117.7 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | cis | -151.8 | 177 | 28.4 | -176.2 | 28.8 | 0 | 0 | 0 | 113.5 | ||||
| 958 | I | 38.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | trans | -95.7 | 96.4 | -153.4 | -63.8 | 173.3 | 0 | 0 | 0 | 116.3 | ||||
| 959 | D | 40.4 | Very low | 36.6 | Very low | 90 Ų | 90 | 122 Ų | 122 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | 65.5 | 134.5 | 113.4 | -160.5 | 37 | 0 | 0 | 0 | 125.5 | K997 | D959-K997 PolarHBondContact O-NZ 2.72Š| |||
| 960 | S | 37.8 | Very low | 36.8 | Very low | 26 Ų | 26 | 124.4 Ų | 124.4 | 18% | 0.182 | 65% | 0.65 | C | S | . | * | trans | 69.3 | 130.7 | 146.7 | -78 | 0 | 0 | 0 | 0 | 124 | K997 S999 K1000 | S960-K997 VanDerWaalsContact O-CE 3.31Å; S960-K997 WeakPolarHBondContact O-CE 3Å; S960-S999 WeakPolarHBondContact OG-CA 3.31Å; S960-S999 WeakPolarHBondContact OG-CB 3.4Å; S960-K1000 PolarHBondContact OG-N 3.14Å | ||
| 961 | R | 40.3 | Very low | 37 | Very low | 118 Ų | 118 | 123 Ų | 123 | 45% | 0.445 | 64% | 0.644 | S | S | . | * | cis | 91.7 | 161.4 | 45.4 | -71.7 | 171.8 | -175.4 | -92.1 | -15.9 | 113.1 | I998 K1000 F1001 | R961-I998 CarbonylContact C-O 3.06Å; R961-K1000 VanDerWaalsContact CD-O 3.27Å; R961-K1000 WeakPolarHBondContact CD-O 3.16Å; R961-K1000 PolarHBondContact NH1-O 2.92Å; R961-F1001 PolarHBondContact NH1-O 2.97Å; R961-F1001 VanDerWaalsContact NH1-O 3.14Å | ||
| 962 | K | 39.1 | Very low | 37 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | cis | -153 | -173.5 | 5 | -138.3 | -179.3 | 175.7 | -164.2 | 0 | 108.1 | I998 K1000 | K962-I998 PolarHBondContact N-O 2.98Å; K962-K1000 WeakPolarHBondContact CE-O 3.36Å; K962-K1000 PolarHBondContact NZ-O 3.39Å | ||
| 963 | H | 37.2 | Very low | 36.8 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 67% | 0.671 | 65% | 0.648 | S | S | * | * | cis | -168.4 | 162.1 | 0.1 | -148.8 | -14.3 | 0 | 0 | 0 | 110.4 | ||||
| 964 | I | 33.5 | Very low | 36.8 | Very low | 123 Ų | 123 | 122 Ų | 122 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | trans | 69.7 | 134.9 | 147.2 | -85.7 | 158.1 | 0 | 0 | 0 | 118.6 | ||||
| 965 | S | 36.4 | Very low | 36.6 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 66% | 0.657 | 64% | 0.642 | S | S | * | * | cis | 106.6 | 156.1 | 32.4 | 105.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 966 | S | 35.4 | Very low | 36.1 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | cis | -164.6 | -177.7 | 1.5 | 33.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 967 | D | 36.9 | Very low | 35.8 | Very low | 139 Ų | 139 | 119.7 Ų | 119.7 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | trans | 70.3 | 148 | 158.8 | -36.4 | -51.5 | 0 | 0 | 0 | 115.5 | ||||
| 968 | D | 40.4 | Very low | 35.3 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | cis | -156.4 | -176.3 | -9.5 | -133.3 | -4.1 | 0 | 0 | 0 | 107.2 | ||||
| 969 | F | 33.2 | Very low | 34.8 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 68% | 0.684 | 65% | 0.651 | S | S | * | * | cis | -142.3 | -116.4 | 2.8 | -177.5 | -116.5 | 0 | 0 | 0 | 110.5 | ||||
| 970 | E | 34.9 | Very low | 34.4 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -144.4 | 173.9 | -169.7 | -50.6 | -169.5 | 143.7 | 0 | 0 | 116.5 | ||||
| 971 | Q | 35.3 | Very low | 34.2 | Very low | 141 Ų | 141 | 127 Ų | 127 | 66% | 0.659 | 67% | 0.665 | S | S | * | * | trans | 96.1 | 118.9 | 143.5 | -79.6 | 171 | 40.1 | 0 | 0 | 122.8 | ||||
| 972 | M | 34.3 | Very low | 33.8 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 80% | 0.798 | 67% | 0.667 | S | S | * | * | trans | 66.8 | 155.2 | 141.9 | -62.4 | 176.1 | 70.3 | 0 | 0 | 120.1 | ||||
| 973 | S | 32.1 | Very low | 33.5 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | cis | -166.5 | 151.4 | -34.9 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 974 | S | 31.4 | Very low | 33.3 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | 63.4 | 160.9 | 163.6 | 69.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 975 | D | 33.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | trans | 70.3 | 85.9 | 157.2 | -47.5 | -43 | 0 | 0 | 0 | 121.3 | ||||
| 976 | N | 29 | Very low | 32.8 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | trans | 74 | 165.1 | 130.3 | -56.4 | -29.5 | 0 | 0 | 0 | 121.3 | ||||
| 977 | S | 32.8 | Very low | 32.6 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | 54.5 | 90 | 170.5 | -153.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 978 | W | 28 | Very low | 32.2 | Very low | 248 Ų | 248 | 136.8 Ų | 136.8 | 94% | 0.939 | 71% | 0.709 | S | S | * | * | trans | -138 | 81.4 | 165.7 | -104.4 | 73.7 | 0 | 0 | 0 | 111.7 | ||||
| 979 | L | 29.5 | Very low | 32 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | trans | -132.8 | 150.9 | 159.9 | -105.6 | 166.2 | 0 | 0 | 0 | 108.6 | ||||
| 980 | S | 30.9 | Very low | 31.9 | Very low | 54 Ų | 54 | 141.6 Ų | 141.6 | 38% | 0.378 | 73% | 0.729 | S | S | . | * | trans | 52.5 | 107.6 | -179.1 | -69.3 | 0 | 0 | 0 | 0 | 118.3 | N741 | N741-S980 PolarHBondContact O-OG 2.79Š| ||
| 981 | T | 33.4 | Very low | 31.8 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 58% | 0.583 | 74% | 0.741 | S | S | * | * | trans | -157.2 | 148 | 138.5 | -0.9 | 0 | 0 | 0 | 0 | 113.7 | I744 | I744-T981 HydrophobicContact CB-CG2 3.63Å; I744-T981 HydrophobicContact CD1-CG2 3.85Å; I744-T981 HydrophobicContact CG1-CG2 3.76Å | ||
| 982 | A | 33.2 | Very low | 31.6 | Very low | 58 Ų | 58 | 139.5 Ų | 139.5 | 48% | 0.479 | 75% | 0.747 | S | S | . | * | trans | -65.1 | 138.9 | -157.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 983 | R | 32.3 | Very low | 31.7 | Very low | 192 Ų | 192 | 137.6 Ų | 137.6 | 73% | 0.725 | 74% | 0.744 | S | S | * | * | 37.8 | 149.7 | 118.4 | -51.2 | 177.3 | 178.4 | 162.6 | 5.2 | 122.3 | |||||
| 984 | H | 33 | Very low | 31.9 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 69.1 | 159.1 | 157 | -64.4 | -59.5 | 0 | 0 | 0 | 118 | ||||
| 985 | N | 29.5 | Very low | 32.1 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | cis | -133.1 | 163.4 | -11.1 | -152.6 | -21.2 | 0 | 0 | 0 | 111.6 | ||||
| 986 | S | 29.5 | Very low | 32.3 | Very low | 92 Ų | 92 | 150.6 Ų | 150.6 | 64% | 0.643 | 77% | 0.766 | S | S | * | * | trans | -69.4 | 147.9 | 170.2 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 987 | R | 30.8 | Very low | 32.5 | Very low | 252 Ų | 252 | 150 Ų | 150 | 95% | 0.951 | 76% | 0.756 | S | S | * | * | -162.8 | 148.6 | 125.7 | -108.3 | 159.6 | -172.4 | 178.9 | 3.6 | 112.9 | |||||
| 988 | S | 29.2 | Very low | 32.7 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -97.4 | 151.3 | 177.7 | 71.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 989 | T | 36.5 | Very low | 32.9 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 91% | 0.914 | 72% | 0.723 | S | S | * | * | trans | -149.3 | 149.3 | 150.7 | -2.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 990 | R | 30.6 | Very low | 33.2 | Very low | 248 Ų | 248 | 140.8 Ų | 140.8 | 94% | 0.936 | 71% | 0.712 | S | S | * | * | trans | -100.1 | 109.3 | -175.1 | -73.4 | 167.6 | 160 | 165.3 | -6.8 | 110.6 | ||||
| 991 | G | 34.2 | Very low | 33.3 | Very low | 86 Ų | 86 | 146 Ų | 146 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | trans | -111.4 | 97.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 992 | N | 31.3 | Very low | 33.2 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -115.9 | 113.2 | -174.5 | 176.7 | 12.2 | 0 | 0 | 0 | 111.8 | ||||
| 993 | T | 36.2 | Very low | 33.2 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -166.5 | 118.9 | 152.6 | 8.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 994 | R | 36.2 | Very low | 33.1 | Very low | 212 Ų | 212 | 154.1 Ų | 154.1 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | trans | 51.9 | 102.3 | 132.1 | -65.4 | 176.2 | 178.7 | -177.1 | -1.1 | 123 | ||||
| 995 | K | 34.6 | Very low | 33.1 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | 83.3 | 131.2 | 113.9 | -76.9 | -178 | 175 | 179.5 | 0 | 123.4 | |||||
| 996 | K | 37.1 | Very low | 33.2 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | 74.2 | 112.7 | 154.1 | -67.9 | -179.8 | 172.9 | -171.1 | 0 | 116.7 | ||||
| 997 | K | 33.2 | Very low | 33.6 | Very low | 135 Ų | 135 | 160.3 Ų | 160.3 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | 77.3 | 119.8 | 64.1 | -87.6 | -146.9 | 176.8 | -164.2 | 0 | 114.5 | D959 S960 | D959-K997 PolarHBondContact O-NZ 2.72Å; S960-K997 VanDerWaalsContact O-CE 3.31Å; S960-K997 WeakPolarHBondContact O-CE 3Å | |||
| 998 | I | 37.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | -172 | 173.9 | 138.8 | -100.6 | 160.9 | 0 | 0 | 0 | 110.4 | R961 K962 | R961-I998 CarbonylContact C-O 3.06Å; K962-I998 PolarHBondContact N-O 2.98Å | ||
| 999 | S | 32.2 | Very low | 34.4 | Very low | 45 Ų | 45 | 155.1 Ų | 155.1 | 32% | 0.315 | 75% | 0.752 | S | S | . | * | trans | -112.1 | -171.6 | -130.5 | 61.1 | 0 | 0 | 0 | 0 | 119.5 | S960 | S960-S999 WeakPolarHBondContact OG-CA 3.31Å; S960-S999 WeakPolarHBondContact OG-CB 3.4Å | ||
| 1000 | K | 37.1 | Very low | 34.8 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 62% | 0.622 | 75% | 0.747 | S | S | * | * | trans | 109.3 | 113.8 | 162.3 | -60 | 178.4 | -179.9 | -179.9 | 0 | 117.8 | S960 R961 K962 | S960-K1000 PolarHBondContact OG-N 3.14Å; R961-K1000 VanDerWaalsContact CD-O 3.27Å; R961-K1000 WeakPolarHBondContact CD-O 3.16Å; R961-K1000 PolarHBondContact NH1-O 2.92Å; K962-K1000 WeakPolarHBondContact CE-O 3.36Å; K962-K1000 PolarHBondContact NZ-O 3.39Å | ||
| 1001 | F | 32.3 | Very low | 34.7 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 18.9 | 151.4 | 142.9 | -66.4 | -93.6 | 0 | 0 | 0 | 121.1 | R961 | R961-F1001 PolarHBondContact NH1-O 2.97Å; R961-F1001 VanDerWaalsContact NH1-O 3.14Å | ||
| 1002 | S | 31.5 | Very low | 34.7 | Very low | 62 Ų | 62 | 154.3 Ų | 154.3 | 43% | 0.434 | 73% | 0.727 | S | S | . | * | cis | -166 | -175.1 | -19.9 | -163 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1003 | Y | 31.9 | Very low | 35 | Very low | 211 Ų | 211 | 155.2 Ų | 155.2 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | 61.2 | 119.4 | 163.5 | -70.6 | -71.5 | 0 | 0 | 0 | 121 | ||||
| 1004 | R | 30.2 | Very low | 34.8 | Very low | 242 Ų | 242 | 157 Ų | 157 | 91% | 0.913 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 126.7 | 140 | -74.7 | 172.3 | 164.9 | 168.3 | -5.5 | 108.1 | ||
| 1005 | S | 33.9 | Very low | 35 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -93 | 122.1 | 158.7 | -167.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 1006 | R | 31.9 | Very low | 35.2 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 93% | 0.928 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 127.4 | 157.7 | -81.8 | 177.4 | 163.9 | 176.4 | -7.6 | 106.5 | ||
| 1007 | K | 37.7 | Very low | 35.2 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -132.8 | 151.7 | 168.9 | -80 | -171.6 | 173.9 | -173.5 | 0 | 108.6 | ||||
| 1008 | P | 41.1 | Very low | 35.4 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | cis | -133.5 | 143.2 | -43.3 | 33.9 | -18.9 | 0 | 0 | 0 | 111.9 | ||||
| 1009 | V | 35.5 | Very low | 35.4 | Very low | 140 Ų | 140 | 144.5 Ų | 144.5 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | trans | -93.6 | 128 | 155.3 | 178.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1010 | P | 44.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -61.5 | 141.5 | -179.9 | -25.1 | 35.2 | 0 | 0 | 0 | 113.3 | ||||
| 1011 | Y | 29.6 | Very low | 35.5 | Very low | 181 Ų | 181 | 153 Ų | 153 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | trans | -153.4 | 170.3 | 168.7 | -175.6 | -100.4 | 0 | 0 | 0 | 108.2 | ||||
| 1012 | F | 32.4 | Very low | 35.7 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 74.5 | 140.1 | -163.6 | -59.9 | -86.3 | 0 | 0 | 0 | 112.8 | ||||
| 1013 | E | 38.8 | Very low | 36 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | cis | -131.9 | 137.9 | 6.7 | -120.6 | 121.8 | -132.5 | 0 | 0 | 111.3 | ||||
| 1014 | D | 31.5 | Very low | 36.2 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -142.7 | 82.6 | 171.9 | -123.2 | -20 | 0 | 0 | 0 | 107 | ||||
| 1015 | S | 40.5 | Very low | 36.3 | Very low | 96 Ų | 96 | 147.7 Ų | 147.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | -161 | 145.8 | 174.1 | -134.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1016 | D | 38.5 | Very low | 36.3 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 82.2 | 135.2 | 147.3 | -60.9 | 2.7 | 0 | 0 | 0 | 121.9 | ||||
| 1017 | E | 37 | Very low | 36.3 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 107.3 | 158.8 | -60.6 | -67.3 | 99.1 | 0 | 0 | 121.5 | ||||
| 1018 | G | 37.7 | Very low | 36.2 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | 114.9 | 113 | 113.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1019 | S | 38.2 | Very low | 35.9 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 55 | 110.3 | 138.7 | -162.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1020 | D | 36.1 | Very low | 36.1 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 54.1 | 147 | 129.8 | -60 | -56.2 | 0 | 0 | 0 | 124.3 | |||||
| 1021 | R | 35.4 | Very low | 35.8 | Very low | 229 Ų | 229 | 152.3 Ų | 152.3 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | 67.9 | 124.7 | 175.2 | -63.5 | 176.3 | 160.1 | 87.9 | -4.3 | 113.6 | ||||
| 1022 | A | 36.4 | Very low | 36.2 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | cis | 69.3 | 147.5 | 43.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1023 | V | 37.8 | Very low | 36.4 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 86.4 | 109.5 | -179 | -172.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1024 | L | 34.2 | Very low | 36.4 | Very low | 140 Ų | 140 | 146 Ų | 146 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | 25.4 | 140.1 | 136.6 | -49.7 | 174 | 0 | 0 | 0 | 121.1 | ||||
| 1025 | R | 33.4 | Very low | 36.6 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 123.5 | 136 | -80.5 | 179 | 160.9 | 154.1 | -5.9 | 119.6 | ||||
| 1026 | T | 32.8 | Very low | 36.4 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | 68.6 | 124 | 134.7 | 59.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1027 | R | 32.4 | Very low | 36.4 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 75.9 | 140.3 | 136.3 | -71.5 | 173.4 | 173 | -169.2 | -3.7 | 119.3 | ||||
| 1028 | R | 36.3 | Very low | 36.4 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 73.7 | 146.1 | 152.3 | -77.4 | -179.9 | 178.4 | 174.9 | -0.6 | 117.5 | ||||
| 1029 | C | 34.1 | Very low | 36.6 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -171.8 | 178.2 | -22 | -146 | 0 | 0 | 0 | 0 | 111 | ||||
| 1030 | T | 40.5 | Very low | 36.7 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | 68.5 | 152.4 | 154.1 | 51.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1031 | R | 37.7 | Very low | 36.8 | Very low | 210 Ų | 210 | 149.5 Ų | 149.5 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | cis | -152 | 133 | 3.8 | -130.4 | 171.3 | 94.4 | 100.2 | 0.7 | 113.2 | ||||
| 1032 | T | 38.5 | Very low | 37 | Very low | 102 Ų | 102 | 145 Ų | 145 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | 34.4 | 134.7 | 136.6 | 61.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1033 | V | 37.1 | Very low | 37.3 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 85% | 0.848 | 73% | 0.732 | S | S | * | * | trans | 169.6 | 123.1 | 135 | 140.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1034 | V | 37.5 | Very low | 37.7 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | cis | -129.4 | 178 | -6.5 | -166.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1035 | S | 36.9 | Very low | 38 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -149 | 155.3 | 178 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1036 | Y | 36.3 | Very low | 38.4 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -137.7 | 115.2 | 142.9 | -91.3 | -93.8 | 0 | 0 | 0 | 105.7 | ||||
| 1037 | R | 37.6 | Very low | 38.7 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | 77.3 | 134.2 | 76.3 | -77.6 | 178.8 | 78.3 | 150.5 | 4.6 | 111.3 | |||||
| 1038 | E | 38.3 | Very low | 39.1 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 61% | 0.607 | 73% | 0.725 | S | S | * | * | cis | -135 | 145.9 | 5.5 | -94.9 | 123.3 | 168.5 | 0 | 0 | 108.4 | ||||
| 1039 | S | 41.1 | Very low | 39.4 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | cis | 69.7 | 124.6 | 49.6 | 80.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1040 | N | 39.2 | Very low | 39.6 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | cis | -161.1 | -173.5 | 44.5 | -66.9 | -66.7 | 0 | 0 | 0 | 110 | ||||
| 1041 | D | 39.9 | Very low | 39.4 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | -172 | 178 | -53.1 | -146.5 | -22.4 | 0 | 0 | 0 | 108.2 | |||||
| 1042 | D | 39.8 | Very low | 39.4 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | trans | 69.7 | 148.6 | 163.4 | -66 | -27.7 | 0 | 0 | 0 | 120.5 | ||||
| 1043 | T | 42.6 | Very low | 39.2 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | cis | -166.2 | 151.2 | -18 | 28.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1044 | T | 44.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | 66.4 | 149.9 | 142 | 52.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1045 | D | 42.1 | Very low | 39.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | cis | -168.4 | 160.8 | -25.4 | -137 | -6.5 | 0 | 0 | 0 | 114.9 | ||||
| 1046 | N | 40.5 | Very low | 39.2 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | trans | 71.1 | 138.2 | 145.5 | -71 | -45.5 | 0 | 0 | 0 | 127.6 | ||||
| 1047 | S | 40.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 68.2 | 113.5 | 150.1 | 56.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1048 | E | 40 | Very low | 39 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | 83 | 105.9 | 50.1 | -71.2 | -168.3 | 164.2 | 0 | 0 | 115.3 | |||||
| 1049 | H | 42.2 | Very low | 38.8 | Very low | 193 Ų | 193 | 134 Ų | 134 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | -158.4 | 146.2 | 128.5 | -123.2 | -74.6 | 0 | 0 | 0 | 112.9 | |||||
| 1050 | D | 38.7 | Very low | 38.4 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | -99.8 | 147.8 | -175.2 | 174.9 | 31.7 | 0 | 0 | 0 | 112.5 | ||||
| 1051 | F | 36.8 | Very low | 38.2 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -175.8 | 158.1 | 142.5 | -100.6 | -62 | 0 | 0 | 0 | 112.4 | ||||
| 1052 | S | 36.7 | Very low | 38 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | -120 | 147.9 | -164.3 | 57.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1053 | E | 35.7 | Very low | 37.8 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | 169.7 | 142.3 | 115.8 | -94.3 | -167.1 | 162.6 | 0 | 0 | 115.8 | |||||
| 1054 | V | 38.9 | Very low | 37.4 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 46 | 146.7 | 166.2 | -91 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1055 | P | 37.9 | Very low | 37 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -116.5 | 171 | -174.6 | 43.4 | -33.9 | 0 | 0 | 0 | 115.6 | ||||
| 1056 | V | 33.8 | Very low | 37 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -171.2 | 143.7 | 142.1 | 128 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1057 | T | 35.8 | Very low | 36.8 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | 51.4 | 117.9 | 164.2 | 52.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1058 | S | 34.5 | Very low | 36.8 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 78.5 | 133.3 | 120.3 | -54 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1059 | N | 33.5 | Very low | 36.9 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 73.3 | 102.2 | 149.8 | -68.6 | -2.7 | 0 | 0 | 0 | 122.1 | ||||
| 1060 | S | 34.2 | Very low | 36.8 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 93.5 | 153.2 | 129.2 | 83.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1061 | R | 35.1 | Very low | 36.9 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | trans | 82.3 | 103.8 | 162.9 | -62.6 | -176.7 | 175.6 | 174.6 | -0.2 | 120.8 | ||||
| 1062 | I | 34.2 | Very low | 37 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | 54.1 | 104.9 | 118.1 | -54.5 | 156.3 | 0 | 0 | 0 | 118.5 | |||||
| 1063 | R | 35 | Very low | 37.2 | Very low | 237 Ų | 237 | 150.1 Ų | 150.1 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | -176 | 139.6 | 131.3 | -93.5 | 148.4 | -171 | -158.5 | 0.8 | 106.5 | ||||
| 1064 | R | 34.8 | Very low | 37.3 | Very low | 225 Ų | 225 | 149.1 Ų | 149.1 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | cis | 67.7 | 83.6 | 31.1 | -72.8 | -159.6 | -176.4 | -179.3 | 2.6 | 115.4 | ||||
| 1065 | V | 36.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 151 Ų | 151 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -143.1 | 117 | 146.5 | -174.2 | 0 | 0 | 0 | 0 | 101.5 | D1067 | V1065-D1067 WeakPolarHBondContact CG1-OD1 3.28Å; V1065-D1067 WeakPolarHBondContact CG1-OD2 3.32Å | ||
| 1066 | L | 41 | Very low | 37.3 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | cis | 68.3 | 176.2 | 46.3 | -68.6 | 179.4 | 0 | 0 | 0 | 113.5 | ||||
| 1067 | D | 38.1 | Very low | 37.6 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | trans | 85.4 | 125.5 | -176.8 | -40.8 | -5.3 | 0 | 0 | 0 | 113.2 | V1065 | V1065-D1067 WeakPolarHBondContact CG1-OD1 3.28Å; V1065-D1067 WeakPolarHBondContact CG1-OD2 3.32Å | ||
| 1068 | D | 38.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | cis | -155.9 | 149.7 | -12 | -92.4 | -34.9 | 0 | 0 | 0 | 111.3 | ||||
| 1069 | E | 42.3 | Very low | 38.4 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 52 | 161.8 | 130.2 | -56.4 | 178.5 | 152.5 | 0 | 0 | 121.4 | ||||
| 1070 | E | 39.5 | Very low | 38.9 | Very low | 166 Ų | 166 | 149.3 Ų | 149.3 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | cis | -146.3 | -166 | 5.9 | -145.2 | 173.6 | -163.6 | 0 | 0 | 112.7 | ||||
| 1071 | E | 41.2 | Very low | 39.4 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 74% | 0.742 | S | S | * | * | trans | -79.7 | -170.6 | -167.7 | -50.4 | -174.2 | 139.8 | 0 | 0 | 113.6 | ||||
| 1072 | E | 39.8 | Very low | 39.9 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | cis | -160.6 | 155.9 | 42.4 | -72.5 | -167.5 | 127.8 | 0 | 0 | 113.6 | ||||
| 1073 | K | 40.6 | Very low | 40.2 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | trans | 62.4 | 153.4 | 146.5 | -68.9 | 160.1 | -166.4 | 156.3 | 0 | 118.3 | ||||
| 1074 | E | 38.4 | Very low | 40.5 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 73% | 0.729 | 73% | 0.728 | S | S | * | * | cis | -159.6 | 163.8 | -0.9 | -118.7 | 152 | -152.8 | 0 | 0 | 105 | ||||
| 1075 | E | 39 | Very low | 40.9 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | cis | -164.5 | 145.7 | 10.4 | -160.6 | 175.6 | -148 | 0 | 0 | 109.8 | ||||
| 1076 | G | 37.4 | Very low | 41.1 | Very low | 79 Ų | 79 | 144 Ų | 144 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | trans | 63.5 | 155.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1077 | A | 39.5 | Very low | 41 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | cis | -155.5 | 137.9 | -13.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1078 | E | 42.5 | Very low | 41.4 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | 48.9 | 132.8 | 100.8 | -118.8 | -154.8 | 147 | 0 | 0 | 114.9 | |||||
| 1079 | I | 45.5 | Very low | 41.7 | Very low | 133 Ų | 133 | 143 Ų | 143 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -154.3 | 162.5 | 27.2 | -67.8 | 175.7 | 0 | 0 | 0 | 107.9 | ||||
| 1080 | D | 44.4 | Very low | 41.5 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 58% | 0.578 | 75% | 0.753 | S | S | * | * | cis | 172.6 | 165.9 | -33.1 | -175 | 15 | 0 | 0 | 0 | 107.8 | ||||
| 1081 | R | 42.9 | Very low | 41.2 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | 76 | 147.3 | 159.8 | -47.2 | -167.5 | -176 | 125.1 | 28.2 | 119.5 | ||||
| 1082 | T | 46.2 | Very low | 40.9 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | cis | -169.9 | 157.4 | -12.4 | 25.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1083 | N | 41.7 | Very low | 40.8 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 70.6 | 148.3 | 152 | -61.6 | -11.2 | 0 | 0 | 0 | 119.7 | ||||
| 1084 | A | 41.3 | Very low | 40.5 | Very low | 82 Ų | 82 | 136.8 Ų | 136.8 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | cis | -162.7 | 159.7 | -14 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1085 | D | 41.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 39.7 | 110 | 152.3 | -56.2 | -26 | 0 | 0 | 0 | 124.3 | ||||
| 1086 | R | 40.8 | Very low | 40 | Very low | 243 Ų | 243 | 138.3 Ų | 138.3 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | trans | -167.3 | 136.2 | 131.2 | -153.9 | 174.7 | -176.6 | -167.3 | 0.3 | 114.2 | ||||
| 1087 | P | 39.5 | Very low | 40 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -119.9 | -175.7 | 173.5 | 47.9 | -37 | 0 | 0 | 0 | 111.9 | ||||
| 1088 | P | 47 | Very low | 39.8 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | -137 | 156.8 | -106.3 | 35.7 | -13.8 | 0 | 0 | 0 | 118.2 | |||||
| 1089 | T | 43.7 | Very low | 39.3 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -154.5 | 157.3 | 156.3 | 24.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1090 | P | 38.9 | Very low | 38.8 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -105.3 | 157.8 | -158.3 | 39.3 | -35.4 | 0 | 0 | 0 | 116 | ||||
| 1091 | I | 34.3 | Very low | 38.4 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -162.4 | 171.9 | 144.9 | -104.6 | 157.4 | 0 | 0 | 0 | 108.2 | ||||
| 1092 | S | 33.1 | Very low | 38 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -45.7 | 139.9 | -168.6 | 44.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1093 | V | 39.1 | Very low | 37.4 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -165.8 | 147.9 | 126 | 139 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1094 | S | 34.6 | Very low | 37.2 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -67.9 | 149.1 | -166.3 | -49.3 | 0 | 0 | 0 | 0 | 115.6 | K1096 | S1094-K1096 PolarHBondContact O-N 3.19Å; S1094-K1096 VanDerWaalsContact O-N 3.07Å | ||
| 1095 | L | 33.3 | Very low | 37 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -68.6 | 98.5 | -172.9 | -70.4 | 167.5 | 0 | 0 | 0 | 114.1 | I1097 | L1095-I1097 HydrophobicContact CD2-CD1 4.02Å; L1095-I1097 HydrophobicContact CD2-CG1 4.44Å | ||
| 1096 | K | 33.1 | Very low | 36.8 | Very low | 209 Ų | 209 | 150.1 Ų | 150.1 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -92.8 | 94.2 | 155.4 | -79.8 | -176.1 | 176.7 | 176.6 | 0 | 110.1 | S1094 | S1094-K1096 PolarHBondContact O-N 3.19Å; S1094-K1096 VanDerWaalsContact O-N 3.07Å | ||
| 1097 | I | 36 | Very low | 36.4 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | trans | -122.2 | 95 | 171.2 | -57.4 | -174.6 | 0 | 0 | 0 | 111.2 | L1095 | L1095-I1097 HydrophobicContact CD2-CD1 4.02Å; L1095-I1097 HydrophobicContact CD2-CG1 4.44Å | ||
| 1098 | K | 35.1 | Very low | 36.3 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 37.8 | 108.2 | 143.3 | -57.8 | -176.5 | -179.9 | -176.8 | 0 | 118.4 | ||||
| 1099 | R | 32.2 | Very low | 35.8 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | -51.3 | 139.2 | 153.7 | -71.1 | 173.8 | 166.9 | 171.8 | -6.6 | 110.9 | ||||
| 1100 | P | 34.8 | Very low | 35.5 | Very low | 129 Ų | 129 | 150.3 Ų | 150.3 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 139.8 | 142.8 | 33.1 | -28.8 | 0 | 0 | 0 | 109.4 | ||||
| 1101 | Q | 36 | Very low | 35.4 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | trans | -119.9 | 155.4 | 164.8 | -84.4 | -175.4 | -76.7 | 0 | 0 | 109 | ||||
| 1102 | S | 36.4 | Very low | 35.6 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 152.5 | 167.2 | 87.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1103 | N | 33.7 | Very low | 35.8 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | cis | -169.7 | -177.4 | -26.4 | -105.1 | -14.7 | 0 | 0 | 0 | 109.1 | ||||
| 1104 | R | 37.1 | Very low | 35.7 | Very low | 223 Ų | 223 | 149.3 Ų | 149.3 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | 83.3 | 146 | 165.1 | -56.6 | -176.3 | 68.3 | 144.4 | -2.8 | 115.5 | ||||
| 1105 | T | 35.5 | Very low | 35.7 | Very low | 104 Ų | 104 | 153.4 Ų | 153.4 | 64% | 0.638 | 77% | 0.773 | S | S | * | * | cis | -154 | 130 | -8.7 | 13.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1106 | V | 37.7 | Very low | 35.9 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | 78.7 | 117.2 | 74.5 | 173.2 | 0 | 0 | 0 | 0 | 116.4 | K1108 | V1106-K1108 HydrophobicContact CG1-CG 4.16Š| |||
| 1107 | L | 33.9 | Very low | 36.8 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -137.3 | 110.9 | 132.3 | -70 | 176.1 | 0 | 0 | 0 | 104.9 | ||||
| 1108 | K | 36.7 | Very low | 37.1 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | 55.7 | 129.6 | 88 | -69.5 | -166.4 | 173.1 | -172.5 | 0 | 113.3 | V1106 | V1106-K1108 HydrophobicContact CG1-CG 4.16Š| |||
| 1109 | Y | 37.1 | Very low | 37.1 | Very low | 203 Ų | 203 | 149.5 Ų | 149.5 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | cis | -134.5 | 143.9 | 32.3 | -77.2 | -93.3 | 0 | 0 | 0 | 112 | ||||
| 1110 | S | 37.5 | Very low | 37.6 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 56.7 | 138.1 | 91.3 | -70.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1111 | S | 36.9 | Very low | 38.1 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | -161.8 | 164.2 | 3.2 | -115.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1112 | D | 37.6 | Very low | 38.6 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | 12.5 | 143.6 | 148.4 | -39.1 | -74.6 | 0 | 0 | 0 | 119.4 | ||||
| 1113 | S | 38.2 | Very low | 39.1 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | cis | -171.4 | 164.8 | 41.7 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1114 | D | 36.5 | Very low | 39.8 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -69.5 | 151.9 | 176.1 | -50.3 | -84.9 | 0 | 0 | 0 | 115.3 | ||||
| 1115 | Y | 35.2 | Very low | 40.3 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -154.1 | 136.2 | 163.4 | -163.5 | -106 | 0 | 0 | 0 | 113.5 | P1117 | Y1115-P1117 HydrophobicContact CD1-CG 4.37Å; Y1115-P1117 HydrophobicContact CE1-CB 4.18Å; Y1115-P1117 HydrophobicContact CE1-CG 4Å | ||
| 1116 | Q | 36.2 | Very low | 41 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -132.5 | 119.7 | 167.3 | -74.7 | -165.8 | -79.5 | 0 | 0 | 110.8 | ||||
| 1117 | P | 51.6 | Low | 41.6 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 60% | 0.597 | 76% | 0.757 | S | S | * | * | trans | -91.6 | 145.1 | 149.8 | 33.9 | -24.2 | 0 | 0 | 0 | 109.3 | Y1115 | Y1115-P1117 HydrophobicContact CD1-CG 4.37Å; Y1115-P1117 HydrophobicContact CE1-CB 4.18Å; Y1115-P1117 HydrophobicContact CE1-CG 4Å | ||
| 1118 | R | 43.1 | Very low | 42.3 | Very low | 210 Ų | 210 | 145.1 Ų | 145.1 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | cis | 63.8 | 96.5 | 14.7 | -66.2 | -167.3 | 173.9 | -134.7 | -5.8 | 116.3 | ||||
| 1119 | D | 34.8 | Very low | 42.9 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | 46.8 | 151.3 | 110.9 | -33.2 | -31.7 | 0 | 0 | 0 | 119.5 | |||||
| 1120 | D | 43.1 | Very low | 43.3 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 107.2 | 92.7 | -171.7 | -60.5 | -11.6 | 0 | 0 | 0 | 109.6 | ||||
| 1121 | D | 44.9 | Very low | 43.8 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | 93.8 | 171.4 | 67.6 | -78.8 | -12.4 | 0 | 0 | 0 | 112.6 | |||||
| 1122 | D | 46.7 | Very low | 44 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 138.2 | -176 | -49.9 | -9 | 0 | 0 | 0 | 117 | ||||
| 1123 | D | 47.4 | Very low | 44.3 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | cis | -171.7 | -173.9 | -29 | -115.4 | -9.9 | 0 | 0 | 0 | 109.4 | ||||
| 1124 | D | 47.7 | Very low | 44.5 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 71.9 | 108.3 | 171.9 | -52.8 | -20 | 0 | 0 | 0 | 116.8 | ||||
| 1125 | D | 48.7 | Very low | 44.7 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | 83.8 | 139.4 | 69 | -72.1 | -6.1 | 0 | 0 | 0 | 113.1 | |||||
| 1126 | D | 49.2 | Very low | 44.9 | Very low | 128 Ų | 128 | 147 Ų | 147 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | cis | -152.1 | 165.5 | 16.5 | -87.7 | -41.9 | 0 | 0 | 0 | 111.8 | ||||
| 1127 | D | 50.6 | Low | 45 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 42.5 | 152.1 | 146.3 | -53.4 | -9.7 | 0 | 0 | 0 | 122.5 | ||||
| 1128 | D | 49.5 | Very low | 44.5 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -163.2 | 165.4 | -15 | -101.4 | -23.4 | 0 | 0 | 0 | 105.4 | ||||
| 1129 | D | 48.6 | Very low | 44.3 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | -162 | 159.3 | 58.3 | -90.8 | -60.9 | 0 | 0 | 0 | 110.3 | |||||
| 1130 | D | 45.6 | Very low | 44.6 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 160.5 | 179.9 | -80.7 | -73.3 | 0 | 0 | 0 | 116.8 | ||||
| 1131 | D | 48.2 | Very low | 44.4 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | -166.5 | 149.2 | 114.9 | -108.6 | -26.4 | 0 | 0 | 0 | 113 | |||||
| 1132 | Q | 41.5 | Very low | 44 | Very low | 146 Ų | 146 | 139 Ų | 139 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -98.9 | -178.1 | -171.8 | -65.8 | 161 | 26 | 0 | 0 | 110.8 | ||||
| 1133 | E | 43 | Very low | 43.7 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | cis | -154 | 134.2 | 36.1 | -64.1 | 172.5 | 145.7 | 0 | 0 | 109 | ||||
| 1134 | E | 42.2 | Very low | 43.2 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 70.2 | 122 | 94.7 | -61.6 | -159.7 | 154.2 | 0 | 0 | 120 | |||||
| 1135 | D | 40.4 | Very low | 42.7 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 50.5 | 130 | 138.5 | -71.5 | 8.4 | 0 | 0 | 0 | 125.5 | ||||
| 1136 | S | 40.9 | Very low | 42.2 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | -173.6 | 159.4 | 114 | -82.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 1137 | Q | 38.1 | Very low | 41.5 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -117.9 | 170.1 | -166.8 | -53.5 | 170.9 | -67.8 | 0 | 0 | 114.7 | ||||
| 1138 | G | 40.5 | Very low | 40.9 | Very low | 66 Ų | 66 | 144.5 Ų | 144.5 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | trans | 114.8 | 144.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1139 | D | 39 | Very low | 40.3 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | cis | -158.3 | -175.1 | -2 | -113.6 | -31 | 0 | 0 | 0 | 112.8 | ||||
| 1140 | S | 40.4 | Very low | 39.8 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | trans | -70.9 | 177.5 | -172.7 | 58 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1141 | D | 39.5 | Very low | 39.2 | Very low | 128 Ų | 128 | 149 Ų | 149 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | cis | -153.9 | 152.3 | 32.9 | -99.9 | -72.7 | 0 | 0 | 0 | 111.8 | ||||
| 1142 | S | 37.3 | Very low | 38.5 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | 51.5 | 135.7 | 77.8 | 108.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1143 | V | 38.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | cis | -153.3 | 152.1 | 37.7 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1144 | K | 37.2 | Very low | 37.8 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | cis | 117.3 | 139.5 | 9.2 | -150.2 | 175.3 | -169.1 | 170.9 | 0 | 112.4 | ||||
| 1145 | T | 37.3 | Very low | 37.7 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 74.1 | 153.7 | 175.3 | 82.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1146 | D | 37.5 | Very low | 37.5 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 60% | 0.604 | 78% | 0.781 | S | S | * | * | cis | -155.6 | 154.3 | -16.4 | -141.9 | -12.7 | 0 | 0 | 0 | 113.2 | ||||
| 1147 | R | 35.6 | Very low | 37.3 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 75% | 0.751 | 78% | 0.775 | S | S | * | * | trans | 43.2 | 135.6 | 145.7 | -83.3 | 162.3 | -176.8 | 146.8 | -8.4 | 125.8 | ||||
| 1148 | K | 38.2 | Very low | 37.5 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 103.4 | 134.6 | 135.7 | -81.2 | 173.1 | 177.9 | -179.8 | 0 | 121 | ||||
| 1149 | I | 35.7 | Very low | 37.7 | Very low | 157 Ų | 157 | 146 Ų | 146 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -92.8 | 148.2 | 178.1 | -52.1 | 156.2 | 0 | 0 | 0 | 109.9 | ||||
| 1150 | P | 38.7 | Very low | 37.7 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | -135.7 | 160.1 | 125 | 37.2 | -27 | 0 | 0 | 0 | 114 | |||||
| 1151 | R | 32.2 | Very low | 37.6 | Very low | 234 Ų | 234 | 147.2 Ų | 147.2 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -89.4 | 139.9 | 173.8 | -61.5 | 170.1 | 171.1 | 172.7 | -6.2 | 111 | ||||
| 1152 | T | 34.3 | Very low | 37.6 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | trans | -153.1 | 146.5 | 152.6 | 37.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1153 | N | 33.3 | Very low | 37.6 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -75.7 | 174.7 | -169.5 | -54 | -22.7 | 0 | 0 | 0 | 116.6 | ||||
| 1154 | T | 35.8 | Very low | 37.6 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 87.2 | 148 | 142.3 | 37.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1155 | P | 40.5 | Very low | 37.6 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -121.5 | 178.6 | -158.5 | 44.4 | -32.1 | 0 | 0 | 0 | 115.2 | ||||
| 1156 | M | 36.8 | Very low | 37.5 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | -158.6 | 134.6 | 161.3 | -88.6 | -143 | 158.7 | 0 | 0 | 116.4 | ||||
| 1157 | K | 37.3 | Very low | 37.6 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | 69.3 | 151.7 | 137.6 | -70.5 | 177.9 | 177.6 | 160.3 | 0 | 120.6 | ||||
| 1158 | S | 40.6 | Very low | 37.7 | Very low | 83 Ų | 83 | 146.5 Ų | 146.5 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | cis | -176.5 | 142.5 | -14.4 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1159 | K | 45.2 | Very low | 37.5 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | 156.8 | 111.1 | 136.4 | -87.3 | 164 | -179.2 | -179.3 | 0 | 109.7 | ||||
| 1160 | D | 38.7 | Very low | 37.4 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | 69.9 | 115.4 | 74.7 | -52.8 | -31.3 | 0 | 0 | 0 | 110.3 | |||||
| 1161 | I | 39.4 | Very low | 37.1 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | -157.9 | 123 | 68.5 | -76.4 | 156.7 | 0 | 0 | 0 | 106.7 | |||||
| 1162 | I | 38.7 | Very low | 37.3 | Very low | 137 Ų | 137 | 139 Ų | 139 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | 62.2 | 127.9 | 89.9 | -57.2 | 161.6 | 0 | 0 | 0 | 111.5 | |||||
| 1163 | E | 37.9 | Very low | 37.2 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | cis | -149.7 | 174 | 39.1 | -150.5 | 145.4 | 177.9 | 0 | 0 | 115.6 | ||||
| 1164 | S | 39 | Very low | 37.2 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | trans | -60.9 | 178.4 | -178.5 | 0.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1165 | Q | 37.2 | Very low | 36.9 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | cis | -150.6 | 148.4 | 10 | -111.5 | 133.2 | 41.4 | 0 | 0 | 107.2 | ||||
| 1166 | S | 35.9 | Very low | 36.6 | Very low | 84 Ų | 84 | 138.8 Ų | 138.8 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | 55.7 | 136.7 | 85.4 | 101.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1167 | D | 38.2 | Very low | 36.5 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | cis | -149.4 | 176.5 | 19 | -75.2 | -68.2 | 0 | 0 | 0 | 113.4 | ||||
| 1168 | E | 37.2 | Very low | 36.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | 23.9 | 150.9 | 141.7 | -64.6 | 177.1 | 162.2 | 0 | 0 | 122.5 | ||||
| 1169 | S | 34 | Very low | 35.9 | Very low | 84 Ų | 84 | 141.2 Ų | 141.2 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | cis | -176.9 | 172.5 | -14.4 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1170 | N | 34.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 85.1 | 152.5 | 159.7 | -52.4 | -40.6 | 0 | 0 | 0 | 121.9 | ||||
| 1171 | H | 32.6 | Very low | 35 | Very low | 140 Ų | 140 | 139 Ų | 139 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | trans | -49.8 | 169 | 174.6 | -48.6 | -92.1 | 0 | 0 | 0 | 114.2 | D276 | D276-H1171 IonicContact OD2-CE1 3.82Å; D276-H1171 PolarHBondContact OD2-CE1 3.48Å; D276-H1171 VanDerWaalsContact OD2-CE1 3.26Å; D276-H1171 IonicContact OD2-ND1 2.73Å | ||
| 1172 | E | 36.3 | Very low | 34.8 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | -154.3 | 173.5 | 50.5 | -72 | -177.5 | 160.1 | 0 | 0 | 115 | |||||
| 1173 | H | 33.4 | Very low | 34.7 | Very low | 181 Ų | 181 | 140 Ų | 140 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -61.1 | 145.7 | -178.3 | -44.5 | -92.4 | 0 | 0 | 0 | 114.6 | ||||
| 1174 | S | 33 | Very low | 34.9 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | trans | -161.4 | 137.3 | 133.5 | -167 | 0 | 0 | 0 | 0 | 113 | ||||
| 1175 | T | 29.6 | Very low | 34.6 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -88.4 | 126.5 | 171.8 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1176 | S | 32.9 | Very low | 34.8 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -167.2 | 121.6 | 148 | 60.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1177 | V | 36.1 | Very low | 34.9 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | 48.8 | 119.4 | 129.8 | -173.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1178 | L | 30.4 | Very low | 34.8 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 11.1 | 132.8 | 143 | -54.3 | 171.3 | 0 | 0 | 0 | 119.6 | ||||
| 1179 | I | 33.1 | Very low | 34.7 | Very low | 171 Ų | 171 | 140 Ų | 140 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | -161.4 | 154.6 | 124.7 | -104.7 | 155.2 | 0 | 0 | 0 | 110.8 | |||||
| 1180 | I | 30.2 | Very low | 34.8 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -75.7 | 147.3 | -175.4 | -61.7 | 155.6 | 0 | 0 | 0 | 111.4 | ||||
| 1181 | S | 36.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -155.5 | 110.9 | 155.9 | -74.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1182 | E | 33.6 | Very low | 35.3 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 142.3 | 164 | -55.6 | 168.6 | 125 | 0 | 0 | 109.2 | ||||
| 1183 | T | 37.7 | Very low | 35.6 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -173.9 | 155.3 | 146.3 | 7.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1184 | S | 40.8 | Very low | 35.7 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | 61.3 | 99.5 | 157.3 | 53.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1185 | D | 34.2 | Very low | 35.9 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -32.3 | 147.3 | 140.3 | -35.9 | -86.9 | 0 | 0 | 0 | 114.6 | ||||
| 1186 | I | 41.7 | Very low | 36.3 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -152.3 | 126.6 | 144.4 | -97.2 | 143 | 0 | 0 | 0 | 107.4 | ||||
| 1187 | D | 36.3 | Very low | 36.5 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -63.2 | 153.7 | 173.4 | -68.1 | -75.8 | 0 | 0 | 0 | 112.1 | ||||
| 1188 | N | 37.3 | Very low | 36.5 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -155.6 | 124.2 | 124.1 | -105.9 | -65.4 | 0 | 0 | 0 | 112 | |||||
| 1189 | S | 34.3 | Very low | 36.8 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 151.2 | 175.9 | 61.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1190 | L | 36.5 | Very low | 36.9 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 179.9 | 103.9 | 125.8 | -99.7 | 160.2 | 0 | 0 | 0 | 111.8 | |||||
| 1191 | F | 39.6 | Very low | 37.4 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | -178.3 | 151 | 104.1 | -106 | -81.6 | 0 | 0 | 0 | 110.1 | |||||
| 1192 | K | 37.2 | Very low | 37.2 | Very low | 187 Ų | 187 | 145 Ų | 145 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -138.5 | 141.8 | 177.3 | -76.3 | -177.6 | 176.4 | 178.6 | 0 | 109.6 | ||||
| 1193 | D | 42.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -160.9 | 119 | 134.4 | -92.5 | -40.8 | 0 | 0 | 0 | 106.5 | ||||
| 1194 | N | 35.6 | Very low | 37.8 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | 74.7 | 132.8 | 73.2 | -77.2 | -40.5 | 0 | 0 | 0 | 113.9 | |||||
| 1195 | V | 37.5 | Very low | 37.5 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | cis | -169.4 | 140.4 | -22.1 | 102.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1196 | K | 37.8 | Very low | 37.6 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -179.3 | 166.9 | 140.2 | -100.3 | 148.5 | -167.1 | 165.6 | 0 | 112.9 | ||||
| 1197 | S | 36.6 | Very low | 37.4 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -159.5 | 158.3 | -152.5 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1198 | V | 36.3 | Very low | 37.4 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | 160.6 | 145.2 | 144.9 | 147.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1199 | S | 36.1 | Very low | 37.5 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | cis | -167.3 | 147.2 | -34.9 | -84.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1200 | V | 35.2 | Very low | 37.6 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -133.5 | 130.7 | 166.7 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1201 | E | 40.8 | Very low | 37.8 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -101.7 | 149.9 | 175.5 | -68.7 | -171.7 | 141.9 | 0 | 0 | 111.2 | ||||
| 1202 | S | 34.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -99.8 | 165.5 | -170.1 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1203 | G | 47.2 | Very low | 37.5 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -154.6 | 98.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1204 | D | 36.5 | Very low | 37.1 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 151.3 | 174.1 | -69.8 | -68.4 | 0 | 0 | 0 | 112.9 | ||||
| 1205 | C | 34.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | trans | -149.4 | 146.2 | 147.2 | -127.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1206 | K | 35 | Very low | 36.6 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -111.9 | 162.2 | -163.7 | -160.8 | 173.8 | -179.5 | 176.5 | 0 | 108.9 | ||||
| 1207 | V | 38.5 | Very low | 36.2 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | 166.2 | 126.1 | 94.1 | 157.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1208 | E | 35.8 | Very low | 36 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 55 | 156.4 | 149.7 | -77.3 | 147.5 | -132.1 | 0 | 0 | 121.7 | ||||
| 1209 | S | 38.5 | Very low | 35.7 | Very low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | cis | -159 | 148.5 | 0.4 | 40.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1210 | T | 37.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | trans | 34.3 | 141.3 | 143.7 | 62.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1211 | D | 40.5 | Very low | 35.2 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | cis | -147.7 | 172.5 | 47.2 | -108.2 | -49.8 | 0 | 0 | 0 | 116.5 | ||||
| 1212 | N | 33.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -110.6 | 153.1 | -170.7 | -54.7 | -92.4 | 0 | 0 | 0 | 113.6 | ||||
| 1213 | I | 37 | Very low | 34.7 | Very low | 164 Ų | 164 | 136 Ų | 136 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -165 | 86.9 | 145.7 | -97.2 | 145.5 | 0 | 0 | 0 | 105.4 | ||||
| 1214 | S | 33.7 | Very low | 33.8 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 79.1 | 97.5 | 88.5 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1215 | V | 30.7 | Very low | 33.8 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -48.1 | 157.5 | 161.9 | -71.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1216 | N | 32.4 | Very low | 33.4 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -161.1 | 125.6 | 127.5 | -98.7 | -19.3 | 0 | 0 | 0 | 111.4 | |||||
| 1217 | S | 30.2 | Very low | 33.5 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -79.9 | 150 | 157.2 | 175.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1218 | F | 32.5 | Very low | 33.1 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -168.2 | 91.1 | 145.8 | -97.7 | -60.3 | 0 | 0 | 0 | 111.8 | ||||
| 1219 | D | 30.2 | Very low | 32.9 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | 43.6 | 157.8 | 113.2 | -141.3 | -10.2 | 0 | 0 | 0 | 123.1 | |||||
| 1220 | T | 28.4 | Very low | 32.8 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | 77.7 | 110.8 | 156.9 | 59.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1221 | S | 30.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 79.2 | 112.7 | 117.5 | -61.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 1222 | K | 32.2 | Very low | 32.6 | Very low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | 32.1 | 110.2 | 125.3 | -62.8 | 173.8 | 180 | 170.3 | 0 | 119.5 | |||||
| 1223 | N | 33.6 | Very low | 32.7 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | -175.7 | 131.6 | 117.6 | -88.3 | -35.5 | 0 | 0 | 0 | 108.1 | |||||
| 1224 | R | 28.3 | Very low | 32.9 | Very low | 233 Ų | 233 | 143.4 Ų | 143.4 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | 63.4 | 133.5 | 66 | -85.4 | -164 | 174.2 | -157.2 | -0.3 | 114.7 | |||||
| 1225 | L | 35.4 | Very low | 33 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | 96 | 109.1 | -179.2 | -56.5 | 175.5 | 0 | 0 | 0 | 113.6 | ||||
| 1226 | N | 27.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 147 Ų | 147 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | cis | 88.4 | 87.3 | 30.4 | -167.1 | 101.2 | 0 | 0 | 0 | 114.6 | ||||
| 1227 | E | 36.4 | Very low | 33.8 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | -157.6 | 127 | 146.3 | -101.7 | 158 | -171.3 | 0 | 0 | 105.3 | ||||
| 1228 | N | 30.4 | Very low | 34.2 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | 68.4 | 139 | 71 | -57.2 | -18.2 | 0 | 0 | 0 | 111.1 | |||||
| 1229 | N | 31.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 149 Ų | 149 | 55% | 0.551 | 74% | 0.744 | S | S | * | * | cis | -167.3 | 169.4 | 14.5 | -134 | -1.8 | 0 | 0 | 0 | 112 | ||||
| 1230 | Y | 36.6 | Very low | 35.3 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 74% | 0.737 | 74% | 0.738 | S | S | * | * | trans | 67.5 | 148.7 | 155.4 | -54.7 | -37.4 | 0 | 0 | 0 | 118.5 | ||||
| 1231 | D | 39 | Very low | 36.1 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 60% | 0.599 | 75% | 0.745 | S | S | * | * | cis | -163.8 | 153.8 | -11 | -110.1 | -7.1 | 0 | 0 | 0 | 111.5 | ||||
| 1232 | N | 34.9 | Very low | 36.8 | Very low | 113 Ų | 113 | 151 Ų | 151 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | trans | 56.5 | 123.2 | 142 | -53.5 | -13.3 | 0 | 0 | 0 | 120.3 | ||||
| 1233 | D | 35.5 | Very low | 37.2 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | 79.3 | 146.3 | 92.6 | -51.7 | -26.5 | 0 | 0 | 0 | 112.3 | |||||
| 1234 | E | 41.4 | Very low | 37.4 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | cis | -125.7 | 159.1 | 9.6 | -63.6 | 162.4 | 123.9 | 0 | 0 | 108.1 | ||||
| 1235 | E | 35.9 | Very low | 38 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | 61.4 | 166 | 61.7 | -79.8 | -167.1 | 170.2 | 0 | 0 | 116.4 | |||||
| 1236 | V | 42.3 | Very low | 38.1 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | trans | 78.8 | 108.5 | -171 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1237 | E | 37.4 | Very low | 38.4 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | 65 | 146.2 | 70.3 | -62.5 | 174.6 | 174.8 | 0 | 0 | 112.6 | |||||
| 1238 | D | 38.1 | Very low | 38.3 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | cis | -163.6 | 172.4 | -16.7 | -118.6 | -26.7 | 0 | 0 | 0 | 108.6 | ||||
| 1239 | E | 42.8 | Very low | 38.7 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 62.7 | 159.1 | 156.6 | -75.2 | 180 | 172.8 | 0 | 0 | 118.6 | ||||
| 1240 | A | 43.7 | Very low | 38.9 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | cis | -161.6 | 160.2 | -18.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1241 | D | 45.2 | Very low | 38.5 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | 57.2 | 157.2 | 145.6 | -61.8 | -18.1 | 0 | 0 | 0 | 120.9 | ||||
| 1242 | E | 46.4 | Very low | 38.4 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | cis | -153.8 | 140.7 | -5.5 | -128.5 | -179.6 | 162.6 | 0 | 0 | 106.5 | ||||
| 1243 | C | 38.9 | Very low | 38.4 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | 177.3 | 156.7 | 91.3 | -105.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1244 | L | 37.8 | Very low | 38.5 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -97.7 | -177.5 | -175.2 | -71.8 | 174.3 | 0 | 0 | 0 | 111.6 | V1246 | L1244-V1246 HydrophobicContact CD2-CG2 4.46Š| ||
| 1245 | P | 40.7 | Very low | 38.3 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | cis | -151.4 | 140.5 | 24.1 | 40.7 | -16.8 | 0 | 0 | 0 | 122.6 | ||||
| 1246 | V | 37.6 | Very low | 38.1 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | 41.2 | 121.9 | 116.7 | -170.9 | 0 | 0 | 0 | 0 | 121.3 | L1244 | L1244-V1246 HydrophobicContact CD2-CG2 4.46Š| |||
| 1247 | R | 34.3 | Very low | 37.6 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | -175.4 | 114.4 | 122.5 | -101.6 | 166.3 | -170.1 | -171.4 | 3.1 | 114.8 | |||||
| 1248 | N | 33.8 | Very low | 37.4 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | 22.4 | 153.8 | 138.1 | -51.7 | -0 | 0 | 0 | 0 | 120.1 | ||||
| 1249 | I | 39.1 | Very low | 37.2 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | cis | -156.6 | -175.3 | 45.4 | -24.8 | 179.4 | 0 | 0 | 0 | 110.9 | ||||
| 1250 | P | 35.4 | Very low | 36.7 | Very low | 119 Ų | 119 | 148.6 Ų | 148.6 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | -100.4 | 177.5 | -95.4 | 38.5 | -23.4 | 0 | 0 | 0 | 116.7 | |||||
| 1251 | H | 29 | Very low | 36.3 | Very low | 179 Ų | 179 | 152 Ų | 152 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -122.2 | 131.1 | 173.5 | -178.5 | -70.3 | 0 | 0 | 0 | 110.1 | ||||
| 1252 | V | 35.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 153.1 Ų | 153.1 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -140.8 | 137.2 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1253 | S | 34.9 | Very low | 35.2 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -44.8 | 149.7 | -170.2 | -42.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1254 | P | 37.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 154.4 Ų | 154.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -86 | 149 | 165.4 | 35.8 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 1255 | Q | 37.2 | Very low | 35.4 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -152.2 | 152.2 | 154.7 | -114.9 | 173.6 | 2.4 | 0 | 0 | 109.8 | ||||
| 1256 | F | 32.1 | Very low | 34.9 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -81.2 | 144.5 | -162.2 | -69.1 | -108.4 | 0 | 0 | 0 | 113.6 | ||||
| 1257 | D | 32.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | -158 | 133.4 | 108.7 | -126 | -14.4 | 0 | 0 | 0 | 117.1 | |||||
| 1258 | K | 32.6 | Very low | 35.3 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -2.5 | 110.3 | 162.9 | -56.7 | 163.6 | -163.3 | 87 | 0 | 119.9 | ||||
| 1259 | Q | 33 | Very low | 35.8 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -176.1 | 66.1 | 139.5 | -111.3 | 163.8 | 95.1 | 0 | 0 | 115.6 | ||||
| 1260 | I | 32.4 | Very low | 36 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -141.4 | 122.4 | 159.2 | -54.9 | 179.7 | 0 | 0 | 0 | 108.2 | ||||
| 1261 | I | 36 | Very low | 36.4 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | trans | -138.9 | 129.3 | 170.6 | -66.9 | 177 | 0 | 0 | 0 | 106.9 | ||||
| 1262 | E | 32.7 | Very low | 36.7 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 81% | 0.808 | 70% | 0.701 | S | S | * | * | trans | 33.9 | 95.6 | 159.3 | -58.9 | 174.1 | 153.6 | 0 | 0 | 119 | ||||
| 1263 | N | 35.4 | Very low | 36.8 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | -107.8 | 80 | 152.8 | -77.7 | -11.6 | 0 | 0 | 0 | 109.3 | ||||
| 1264 | Q | 40.6 | Very low | 36.9 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | -83.7 | 142.6 | 157.3 | -87.5 | -172.6 | -19.6 | 0 | 0 | 109.2 | C1266 | Q1264-C1266 PolarHBondContact O-N 3.42Š| ||
| 1265 | P | 39.7 | Very low | 36.8 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 60% | 0.597 | 69% | 0.69 | S | S | * | * | trans | -67.1 | 103.2 | 175.4 | 28.3 | -33.6 | 0 | 0 | 0 | 109.8 | V1267 | P1265-V1267 VanDerWaalsContact C-N 3.31Å; P1265-V1267 PolarHBondContact O-N 2.67Å | ||
| 1266 | C | 31.9 | Very low | 36.8 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 72% | 0.716 | 68% | 0.676 | S | S | * | * | trans | -76.9 | 82.2 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 109.8 | Q1264 S1268 | Q1264-C1266 PolarHBondContact O-N 3.42Å; C1266-S1268 PolarHBondContact O-N 3.26Å | ||
| 1267 | V | 41.6 | Very low | 37.1 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 56% | 0.558 | 66% | 0.663 | S | S | * | * | trans | -71.6 | 118.1 | 166.1 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | P1265 | P1265-V1267 VanDerWaalsContact C-N 3.31Å; P1265-V1267 PolarHBondContact O-N 2.67Å | ||
| 1268 | S | 37.4 | Very low | 37.4 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | trans | -70.6 | 142.7 | 170.3 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | C1266 D1270 V1271 | C1266-S1268 PolarHBondContact O-N 3.26Å; S1268-D1270 PolarHBondContact O-N 3.06Å; S1268-V1271 WeakPolarHBondContact O-CG2 3.45Å | ||
| 1269 | P | 44.8 | Very low | 37.7 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 52% | 0.519 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -65.3 | -22.1 | 174.5 | 27.7 | -34.5 | 0 | 0 | 0 | 112.8 | L314 V1271 | L314-P1269 HydrophobicContact CD1-CB 4.1Å; L314-P1269 HydrophobicContact CD1-CG 3.91Å; P1269-V1271 PolarHBondContact O-N 2.9Å |
| 1270 | D | 42.3 | Very low | 38.1 | Very low | 137 Ų | 137 | 116.2 Ų | 116.2 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 22.8 | -179.7 | -42 | -3.7 | 0 | 0 | 0 | 115.5 | S1268 | S1268-D1270 PolarHBondContact O-N 3.06Š|
| 1271 | V | 44.9 | Very low | 38.6 | Very low | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.8 | -1.8 | -169.2 | -179.6 | 0 | 0 | 0 | 0 | 113.1 | S1268 P1269 | S1268-V1271 WeakPolarHBondContact O-CG2 3.45Å; P1269-V1271 PolarHBondContact O-N 2.9Å |
| 1272 | F | 35.3 | Very low | 38.8 | Very low | 67 Ų | 67 | 108.9 Ų | 108.9 | 29% | 0.294 | 61% | 0.608 | S | S | . | * | trans | -114.6 | 0 | 178.1 | -80.4 | -73.6 | 0 | 0 | 0 | 114.1 | A28 A29 F175 F209 | A28-F1272 HydrophobicContact CB-CZ 4.35Å; A29-F1272 HydrophobicContact CB-CZ 4.46Å; F175-F1272 VanDerWaalsContact CB-OXT 3.3Å; F175-F1272 WeakPolarHBondContact CB-OXT 3.43Å; F175-F1272 PolarHBondContact N-OXT 2.95Å; F209-F1272 HydrophobicContact CE2-CZ 4.5Å; F209-F1272 HydrophobicContact CZ-CZ 4.27Å |
Retrieved 1,272 of 1,272 residues in 216.4 ms
(Link to these results)