| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 40.6 | Very low | 248 Ų | 248 | 145 Ų | 145 | 100% | 1.222 | 82% | 0.822 | S | S | * | * | 0 | 151.4 | 0 | -71 | 157.8 | 172.9 | 0 | 0 | 108.4 | G3 | M1-G3 PolarHBondContact O-N 3.29Š| |||
| 2 | R | 40.9 | Very low | 40.6 | Very low | 246 Ų | 246 | 145.4 Ų | 145.4 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -81.1 | 115.8 | 178.2 | -73.5 | 179.5 | 174 | 169.5 | -3.1 | 109.6 | V4 | R2-V4 PolarHBondContact O-N 2.65Š| ||
| 3 | G | 38.1 | Very low | 40.5 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -73 | 118.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1 C5 | M1-G3 PolarHBondContact O-N 3.29Å; G3-C5 PolarHBondContact O-N 3.38Å | ||
| 4 | V | 44.9 | Very low | 40.5 | Very low | 128 Ų | 128 | 148.3 Ų | 148.3 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -87.3 | 100 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | R2 S6 | R2-V4 PolarHBondContact O-N 2.65Å; V4-S6 PolarHBondContact O-N 3.49Å | ||
| 5 | C | 38.6 | Very low | 40.5 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -66.6 | 103.7 | 171.6 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | G3 A7 | G3-C5 PolarHBondContact O-N 3.38Å; C5-A7 VanDerWaalsContact C-N 3.32Å; C5-A7 PolarHBondContact O-N 3.32Å | ||
| 6 | S | 44.2 | Very low | 40.6 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -70.9 | 89.2 | 172.1 | -67.2 | 0 | 0 | 0 | 0 | 109.3 | V4 L8 | V4-S6 PolarHBondContact O-N 3.49Å; S6-L8 PolarHBondContact O-N 3.16Å | ||
| 7 | A | 40.9 | Very low | 40.8 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -64.6 | 99.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | C5 K9 | C5-A7 VanDerWaalsContact C-N 3.32Å; C5-A7 PolarHBondContact O-N 3.32Å; A7-K9 PolarHBondContact O-N 3.2Å | ||
| 8 | L | 43.6 | Very low | 40.5 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -66.6 | 82.7 | 170.8 | -92.9 | 158 | 0 | 0 | 0 | 109.5 | S6 M10 | S6-L8 PolarHBondContact O-N 3.16Å; L8-M10 PolarHBondContact O-N 2.84Å | ||
| 9 | K | 37 | Very low | 40.4 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -69.6 | 81.7 | 176.3 | -174 | 178.3 | 178.2 | 178.6 | 0 | 109.4 | A7 G11 | A7-K9 PolarHBondContact O-N 3.2Å; K9-G11 PolarHBondContact O-N 3.18Å | ||
| 10 | M | 40.3 | Very low | 40.2 | Very low | 176 Ų | 176 | 138.8 Ų | 138.8 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -62 | 86.9 | 162.2 | -72.3 | -110.6 | -71.4 | 0 | 0 | 108.2 | L8 L12 | L8-M10 PolarHBondContact O-N 2.84Å; M10-L12 PolarHBondContact O-N 3.35Å | ||
| 11 | G | 37.6 | Very low | 40 | Very low | 46 Ų | 46 | 136.3 Ų | 136.3 | 47% | 0.474 | 79% | 0.789 | S | S | . | * | trans | -71.3 | 114 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K9 F13 | K9-G11 PolarHBondContact O-N 3.18Å; G11-F13 VanDerWaalsContact C-N 3.31Å; G11-F13 PolarHBondContact O-N 3Å | ||
| 12 | L | 40.6 | Very low | 40 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -60.2 | 100.6 | 156 | -96.9 | 76.2 | 0 | 0 | 0 | 107.6 | M10 L14 | M10-L12 PolarHBondContact O-N 3.35Å; L12-L14 HydrophobicContact CB-CG 4.41Å; L12-L14 HydrophobicContact CD2-CG 4.41Å; L12-L14 PolarHBondContact O-N 2.81Å | ||
| 13 | F | 39.4 | Very low | 39.8 | Very low | 185 Ų | 185 | 124.4 Ų | 124.4 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | -73.3 | 76.1 | 159.7 | -89.2 | -89.5 | 0 | 0 | 0 | 108.2 | G11 H15 | G11-F13 VanDerWaalsContact C-N 3.31Å; G11-F13 PolarHBondContact O-N 3Å; F13-H15 PolarHBondContact O-N 3.43Å | ||
| 14 | L | 40.5 | Very low | 40.4 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -62.2 | 94.6 | 159.7 | -74.6 | 169.8 | 0 | 0 | 0 | 107.1 | L12 A16 | L12-L14 HydrophobicContact CB-CG 4.41Å; L12-L14 HydrophobicContact CD2-CG 4.41Å; L12-L14 PolarHBondContact O-N 2.81Å; L14-A16 PolarHBondContact O-N 2.72Å | ||
| 15 | H | 41.2 | Very low | 40.2 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | trans | -65.5 | 92.8 | 164.3 | -93.8 | -96.9 | 0 | 0 | 0 | 107.7 | F13 V17 | F13-H15 PolarHBondContact O-N 3.43Å; H15-V17 PolarHBondContact O-N 3.3Å | ||
| 16 | A | 42.1 | Very low | 40.2 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -67.1 | 80.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | L14 G18 | L14-A16 PolarHBondContact O-N 2.72Å; A16-G18 PolarHBondContact O-N 3.23Å; A16-G18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | V | 43.8 | Very low | 40.3 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -60 | 111.1 | 159.6 | 179.9 | 0 | 0 | 0 | 0 | 105.3 | H15 | H15-V17 PolarHBondContact O-N 3.3Š| ||
| 18 | G | 35.5 | Very low | 40.7 | Very low | 53 Ų | 53 | 131.4 Ų | 131.4 | 55% | 0.546 | 77% | 0.77 | S | S | . | * | trans | -60.6 | 140.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A16 V20 | A16-G18 PolarHBondContact O-N 3.23Å; A16-G18 VanDerWaalsContact O-N 3.1Å; G18-V20 PolarHBondContact O-N 3.26Å | ||
| 19 | S | 37.4 | Very low | 41.5 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -62.6 | 101 | 167.8 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 20 | V | 36.7 | Very low | 42.9 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | trans | -79.4 | 115.7 | 164.2 | 179.2 | 0 | 0 | 0 | 0 | 105.5 | G18 | G18-V20 PolarHBondContact O-N 3.26Š| ||
| 21 | S | 36.5 | Very low | 44.4 | Very low | 86 Ų | 86 | 117.7 Ų | 117.7 | 60% | 0.601 | 73% | 0.726 | S | S | * | * | trans | -50.9 | 147.6 | 175.1 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | T23 | S21-T23 PolarHBondContact O-N 2.92Š| ||
| 22 | P | 39.8 | Very low | 46.5 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -69.4 | 80.2 | 171.1 | 31 | -34.8 | 0 | 0 | 0 | 109.5 | ||||
| 23 | T | 36.5 | Very low | 48.4 | Very low | 112 Ų | 112 | 116 Ų | 116 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | trans | -57.8 | 135.8 | 157.5 | -53.2 | 0 | 0 | 0 | 0 | 106.9 | S21 S25 | S21-T23 PolarHBondContact O-N 2.92Å; T23-S25 PolarHBondContact O-N 2.91Å | ||
| 24 | E | 51.5 | Low | 50.6 | Low | 193 Ų | 193 | 107.3 Ų | 107.3 | 90% | 0.902 | 67% | 0.665 | S | S | * | * | trans | -63.6 | 83 | 166.3 | -69.5 | 171.6 | 93.7 | 0 | 0 | 109.3 | A26 | E24-A26 PolarHBondContact O-N 3.01Š| ||
| 25 | S | 40.9 | Very low | 52.5 | Low | 110 Ų | 110 | 107 Ų | 107 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | -63.2 | 113.5 | 156.1 | 52.8 | 0 | 0 | 0 | 0 | 105.9 | T23 | T23-S25 PolarHBondContact O-N 2.91Š| ||
| 26 | A | 38.9 | Very low | 54.3 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | trans | -51.7 | 159.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E24 E28 | E24-A26 PolarHBondContact O-N 3.01Å; A26-E28 PolarHBondContact O-N 3.39Å | ||
| 27 | A | 45.7 | Very low | 55.8 | Low | 113 Ų | 113 | 98.5 Ų | 98.5 | 93% | 0.934 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -70.1 | 45.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | G29 | A27-G29 PolarHBondContact O-N 3.28Š|
| 28 | E | 49.7 | Very low | 56.9 | Low | 172 Ų | 172 | 98.5 Ų | 98.5 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | -80.8 | 68.3 | 165 | -168.6 | 160.6 | -153.3 | 0 | 0 | 107.3 | A26 S30 | A26-E28 PolarHBondContact O-N 3.39Å; E28-S30 PolarHBondContact O-N 2.88Å | ||
| 29 | G | 59.5 | Low | 58.8 | Low | 42 Ų | 42 | 103.9 Ų | 103.9 | 43% | 0.433 | 63% | 0.628 | S | S | . | * | trans | -52.4 | 128.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | A27 M31 | A27-G29 PolarHBondContact O-N 3.28Å; G29-M31 VanDerWaalsContact C-N 3.33Å; G29-M31 PolarHBondContact O-N 2.96Å | ||
| 30 | S | 66.4 | Low | 60.7 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | trans | -64.9 | 92.3 | -168.7 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | E28 I32 | E28-S30 PolarHBondContact O-N 2.88Å; S30-I32 PolarHBondContact O-N 2.74Å | ||
| 31 | M | 71.9 | Confident | 62.8 | Low | 110 Ų | 110 | 101.2 Ų | 101.2 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | trans | -70.6 | 97.3 | -168.5 | -173 | 174.1 | 66.5 | 0 | 0 | 110 | G29 H33 F43 | G29-M31 VanDerWaalsContact C-N 3.33Å; G29-M31 PolarHBondContact O-N 2.96Å; M31-H33 PolarHBondContact O-N 2.73Å; M31-F43 HydrophobicContact CE-CD1 3.69Å; M31-F43 HydrophobicContact CE-CE1 3.79Å; M31-F43 HydrophobicContact CE-CG 4.17Å; M31-F43 HydrophobicContact CE-CZ 4.41Å; M31-F43 HydrophobicContact CG-CB 3.73Å; M31-F43 HydrophobicContact CG-CD1 3.74Å; M31-F43 HydrophobicContact CG-CG 4.06Å; M31-F43 HydrophobicContact SD-CB 3.88Å; M31-F43 HydrophobicContact SD-CD1 3.91Å; M31-F43 HydrophobicContact SD-CG 3.94Å | ||
| 32 | I | 81.2 | Confident | 64.9 | Low | 61 Ų | 61 | 99 Ų | 99 | 31% | 0.313 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.3 | -175.1 | -71 | 163.1 | 0 | 0 | 0 | 108.8 | S30 F43 C44 C49 | S30-I32 PolarHBondContact O-N 2.74Å; I32-F43 WeakPolarHBondContact O-CA 3.21Å; I32-C44 HydrophobicContact CB-CB 4.46Å; I32-C44 PolarHBondContact N-O 2.82Å; I32-C44 VanDerWaalsContact N-O 3.1Å; I32-C44 PolarHBondContact O-N 2.96Å; I32-C49 VanDerWaalsContact CG2-SG 3.54Å |
| 33 | H | 82.3 | Confident | 67 | Low | 100 Ų | 100 | 97.8 Ų | 97.8 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 130.9 | 173.3 | -162.1 | 63 | 0 | 0 | 0 | 110.2 | M31 S41 F43 | M31-H33 PolarHBondContact O-N 2.73Å; H33-S41 WeakPolarHBondContact CE1-CB 3.5Å; H33-S41 PolarHBondContact CE1-OG 3.38Å; H33-S41 WeakPolarHBondContact NE2-CB 2.91Å; H33-S41 PolarHBondContact NE2-OG 2.86Å; H33-F43 HydrophobicContact CB-CD1 4.34Å; H33-F43 HydrophobicContact CB-CE1 4.18Å; H33-F43 AromaticContact CE1-CE1 3.79Å; H33-F43 AromaticContact CE1-CZ 3.58Å; H33-F43 AromaticContact CG-CE1 3.92Å; H33-F43 AromaticContact ND1-CD1 3.56Å; H33-F43 AromaticContact ND1-CE1 2.97Å; H33-F43 WeakPolarHBondContact ND1-CE1 3.18Å; H33-F43 AromaticContact ND1-CZ 3.24Å; H33-F43 WeakPolarHBondContact ND1-CZ 3.27Å |
| 34 | C | 83.8 | Confident | 69.2 | Low | 2 Ų | 2 | 92.5 Ų | 92.5 | 1% | 0.014 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.6 | -177.4 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | G36 S41 Y42 C49 | C34-G36 PolarHBondContact O-N 3.29Å; C34-S41 CarbonylContact O-C 3.59Å; C34-S41 WeakPolarHBondContact O-CA 3.36Å; C34-S41 WeakPolarHBondContact O-CB 3.41Å; C34-Y42 HydrophobicContact CB-CD1 3.89Å; C34-Y42 HydrophobicContact CB-CD2 3.73Å; C34-Y42 HydrophobicContact CB-CE1 3.62Å; C34-Y42 HydrophobicContact CB-CE2 3.44Å; C34-Y42 VanDerWaalsContact CB-CE2 3.44Å; C34-Y42 HydrophobicContact CB-CG 3.94Å; C34-Y42 PolarHBondContact N-O 3.03Å; C34-Y42 WeakPolarHBondContact O-CD1 3.45Å; C34-Y42 PolarHBondContact O-N 2.97Å; C34-C49 WeakPolarHBondContact CA-SG 3.39Å; C34-C49 HydrophobicContact CB-CB 3.67Å; C34-C49 WeakPolarHBondContact CB-SG 2.96Å; C34-C49 WeakPolarHBondContact SG-CA 3.41Å; C34-C49 WeakPolarHBondContact SG-CB 3.11Å; C34-C49 CovalentContact SG-SG 2.03Å; C34-C49 PolarHBondContact SG-SG 2.87Å |
| 35 | D | 81.9 | Confident | 70.5 | Confident | 138 Ų | 138 | 90.1 Ų | 90.1 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 109.1 | 175 | -69.3 | -51.5 | 0 | 0 | 0 | 110.7 | ||
| 36 | G | 78.1 | Confident | 71.9 | Confident | 11 Ų | 11 | 94.2 Ų | 94.2 | 11% | 0.113 | 52% | 0.515 | C | S | . | . | trans | -90.9 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C34 Q40 E52 | C34-G36 PolarHBondContact O-N 3.29Å; G36-Q40 CarbonylContact C-O 3.59Å; G36-Q40 WeakPolarHBondContact CA-O 3.19Å; G36-Q40 PolarHBondContact N-O 2.89Å; G36-Q40 VanDerWaalsContact N-O 3.1Å; G36-E52 WeakPolarHBondContact CA-O 3.05Å | ||
| 37 | V | 73.2 | Confident | 73.5 | Confident | 70 Ų | 70 | 91.6 Ų | 91.6 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -70.1 | 146.9 | -175.4 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | E52 | V37-E52 HydrophobicContact CG2-CB 3.68Å; V37-E52 HydrophobicContact CG2-CG 3.57Å |
| 38 | N | 67.9 | Low | 75 | Confident | 134 Ų | 134 | 91.1 Ų | 91.1 | 72% | 0.717 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | 67.5 | 32.3 | -174.9 | -45.4 | -73.4 | 0 | 0 | 0 | 114.9 | Q40 | N38-Q40 PolarHBondContact O-N 3.34Š|
| 39 | N | 74.4 | Confident | 76.5 | Confident | 167 Ų | 167 | 85.4 Ų | 85.4 | 89% | 0.893 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | 59.5 | 23.3 | -177.8 | -52.4 | -27.2 | 0 | 0 | 0 | 113.8 | S41 | N39-S41 PolarHBondContact O-N 3.29Š|
| 40 | Q | 77.9 | Confident | 77.4 | Confident | 145 Ų | 145 | 84.8 Ų | 84.8 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | trans | -92.2 | 93 | 172.8 | -64.2 | -174.4 | 17.8 | 0 | 0 | 108.2 | G36 N38 | G36-Q40 CarbonylContact C-O 3.59Å; G36-Q40 WeakPolarHBondContact CA-O 3.19Å; G36-Q40 PolarHBondContact N-O 2.89Å; G36-Q40 VanDerWaalsContact N-O 3.1Å; N38-Q40 PolarHBondContact O-N 3.34Å | ||
| 41 | S | 81.1 | Confident | 77.6 | Confident | 53 Ų | 53 | 83.1 Ų | 83.1 | 37% | 0.371 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.7 | 172.3 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | H33 C34 N39 | H33-S41 WeakPolarHBondContact CE1-CB 3.5Å; H33-S41 PolarHBondContact CE1-OG 3.38Å; H33-S41 WeakPolarHBondContact NE2-CB 2.91Å; H33-S41 PolarHBondContact NE2-OG 2.86Å; C34-S41 CarbonylContact O-C 3.59Å; C34-S41 WeakPolarHBondContact O-CA 3.36Å; C34-S41 WeakPolarHBondContact O-CB 3.41Å; N39-S41 PolarHBondContact O-N 3.29Å |
| 42 | Y | 81.2 | Confident | 77.4 | Confident | 38 Ų | 38 | 84.7 Ų | 84.7 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 166.3 | 176.9 | 62.9 | -83.3 | 0 | 0 | 0 | 109.9 | C34 C50 G51 Q54 | C34-Y42 HydrophobicContact CB-CD1 3.89Å; C34-Y42 HydrophobicContact CB-CD2 3.73Å; C34-Y42 HydrophobicContact CB-CE1 3.62Å; C34-Y42 HydrophobicContact CB-CE2 3.44Å; C34-Y42 VanDerWaalsContact CB-CE2 3.44Å; C34-Y42 HydrophobicContact CB-CG 3.94Å; C34-Y42 PolarHBondContact N-O 3.03Å; C34-Y42 WeakPolarHBondContact O-CD1 3.45Å; C34-Y42 PolarHBondContact O-N 2.97Å; Y42-C50 PolarHBondContact OH-N 3.14Å; Y42-G51 PolarHBondContact OH-O 2.82Å; Y42-Q54 WeakPolarHBondContact CE2-O 3.49Å; Y42-Q54 PolarHBondContact OH-N 2.98Å; Y42-Q54 PolarHBondContact OH-O 3.22Å; Y42-Q54 VanDerWaalsContact OH-O 3.05Å |
| 43 | F | 83.3 | Confident | 76.6 | Confident | 109 Ų | 109 | 85.9 Ų | 85.9 | 48% | 0.478 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.2 | -178 | -66.8 | -82.8 | 0 | 0 | 0 | 110.1 | M31 I32 H33 | M31-F43 HydrophobicContact CE-CD1 3.69Å; M31-F43 HydrophobicContact CE-CE1 3.79Å; M31-F43 HydrophobicContact CE-CG 4.17Å; M31-F43 HydrophobicContact CE-CZ 4.41Å; M31-F43 HydrophobicContact CG-CB 3.73Å; M31-F43 HydrophobicContact CG-CD1 3.74Å; M31-F43 HydrophobicContact CG-CG 4.06Å; M31-F43 HydrophobicContact SD-CB 3.88Å; M31-F43 HydrophobicContact SD-CD1 3.91Å; M31-F43 HydrophobicContact SD-CG 3.94Å; I32-F43 WeakPolarHBondContact O-CA 3.21Å; H33-F43 HydrophobicContact CB-CD1 4.34Å; H33-F43 HydrophobicContact CB-CE1 4.18Å; H33-F43 AromaticContact CE1-CE1 3.79Å; H33-F43 AromaticContact CE1-CZ 3.58Å; H33-F43 AromaticContact CG-CE1 3.92Å; H33-F43 AromaticContact ND1-CD1 3.56Å; H33-F43 AromaticContact ND1-CE1 2.97Å; H33-F43 WeakPolarHBondContact ND1-CE1 3.18Å; H33-F43 AromaticContact ND1-CZ 3.24Å; H33-F43 WeakPolarHBondContact ND1-CZ 3.27Å |
| 44 | C | 82.6 | Confident | 76.4 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.007 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 112.4 | 173.9 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | I32 C55 | I32-C44 HydrophobicContact CB-CB 4.46Å; I32-C44 PolarHBondContact N-O 2.82Å; I32-C44 VanDerWaalsContact N-O 3.1Å; I32-C44 PolarHBondContact O-N 2.96Å; C44-C55 WeakPolarHBondContact CA-SG 3.02Å; C44-C55 HydrophobicContact CB-CB 3.85Å; C44-C55 WeakPolarHBondContact CB-SG 3.3Å; C44-C55 WeakPolarHBondContact SG-CB 3.35Å; C44-C55 CovalentContact SG-SG 2.03Å; C44-C55 PolarHBondContact SG-SG 3.3Å |
| 45 | E | 78.8 | Confident | 76.3 | Confident | 142 Ų | 142 | 90 Ų | 90 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -71.6 | -35 | 169.8 | -62.9 | 178.9 | 164.3 | 0 | 0 | 111.1 | ||
| 46 | Y | 69.8 | Low | 76.2 | Confident | 196 Ų | 196 | 85.2 Ų | 85.2 | 77% | 0.769 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -138.8 | 126.3 | 179 | -57.8 | -82.1 | 0 | 0 | 0 | 110.6 | ||
| 47 | G | 73.8 | Confident | 76 | Confident | 23 Ų | 23 | 87.8 Ų | 87.8 | 24% | 0.237 | 48% | 0.477 | C | S | . | . | S | Bend | trans | 100.7 | -167.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 48 | H | 77 | Confident | 75.7 | Confident | 102 Ų | 102 | 90.3 Ų | 90.3 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.7 | -176.2 | -60.2 | -86.1 | 0 | 0 | 0 | 111.6 | C50 C55 C56 Y58 | H48-C50 PolarHBondContact O-N 2.94Å; H48-C55 CarbonylContact O-C 3.6Å; H48-C55 WeakPolarHBondContact O-CA 3.36Å; H48-C56 PolarHBondContact N-O 2.74Å; H48-C56 PolarHBondContact O-N 3.37Å; H48-Y58 HydrophobicContact CB-CD2 4.06Å; H48-Y58 HydrophobicContact CB-CE2 3.85Å; H48-Y58 AromaticContact CD2-CD2 3.71Å |
| 49 | C | 81.4 | Confident | 75.5 | Confident | 53 Ų | 53 | 93 Ų | 93 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 127 | 171.4 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | I32 C34 | I32-C49 VanDerWaalsContact CG2-SG 3.54Å; C34-C49 WeakPolarHBondContact CA-SG 3.39Å; C34-C49 HydrophobicContact CB-CB 3.67Å; C34-C49 WeakPolarHBondContact CB-SG 2.96Å; C34-C49 WeakPolarHBondContact SG-CA 3.41Å; C34-C49 WeakPolarHBondContact SG-CB 3.11Å; C34-C49 CovalentContact SG-SG 2.03Å; C34-C49 PolarHBondContact SG-SG 2.87Å |
| 50 | C | 78.3 | Confident | 75 | Confident | 29 Ų | 29 | 92.3 Ų | 92.3 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 87.6 | -167.7 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | Y42 H48 Q54 C56 | Y42-C50 PolarHBondContact OH-N 3.14Å; H48-C50 PolarHBondContact O-N 2.94Å; C50-Q54 CarbonylContact C-O 3.57Å; C50-Q54 WeakPolarHBondContact CA-O 3.33Å; C50-Q54 WeakPolarHBondContact CB-O 3.31Å; C50-Q54 PolarHBondContact N-O 3.12Å; C50-C56 HydrophobicContact CB-CB 3.35Å; C50-C56 WeakPolarHBondContact CB-SG 3.41Å; C50-C56 WeakPolarHBondContact SG-CB 3.33Å; C50-C56 CovalentContact SG-SG 2.03Å; C50-C56 PolarHBondContact SG-SG 3.34Å |
| 51 | G | 69.6 | Low | 74.5 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 63% | 0.629 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | -153 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y42 S53 | Y42-G51 PolarHBondContact OH-O 2.82Å; G51-S53 PolarHBondContact O-N 3.41Å |
| 52 | E | 68.4 | Low | 74.1 | Confident | 143 Ų | 143 | 94 Ų | 94 | 67% | 0.668 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -16.9 | -153.4 | -59.9 | -171.5 | 162.2 | 0 | 0 | 115.1 | G36 V37 | G36-E52 WeakPolarHBondContact CA-O 3.05Å; V37-E52 HydrophobicContact CG2-CB 3.68Å; V37-E52 HydrophobicContact CG2-CG 3.57Å |
| 53 | S | 64.9 | Low | 74.1 | Confident | 86 Ų | 86 | 98.6 Ų | 98.6 | 60% | 0.601 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -164 | 16.5 | -175.3 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | G51 | G51-S53 PolarHBondContact O-N 3.41Š|
| 54 | Q | 76.2 | Confident | 74.2 | Confident | 133 Ų | 133 | 99.1 Ų | 99.1 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 150.6 | -170.2 | -64.4 | -172 | 4.7 | 0 | 0 | 114 | Y42 C50 | Y42-Q54 WeakPolarHBondContact CE2-O 3.49Å; Y42-Q54 PolarHBondContact OH-N 2.98Å; Y42-Q54 PolarHBondContact OH-O 3.22Å; Y42-Q54 VanDerWaalsContact OH-O 3.05Å; C50-Q54 CarbonylContact C-O 3.57Å; C50-Q54 WeakPolarHBondContact CA-O 3.33Å; C50-Q54 WeakPolarHBondContact CB-O 3.31Å; C50-Q54 PolarHBondContact N-O 3.12Å |
| 55 | C | 82.1 | Confident | 74.3 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117 | 176.6 | -55 | 0 | 0 | 0 | 0 | 109.6 | C44 H48 | C44-C55 WeakPolarHBondContact CA-SG 3.02Å; C44-C55 HydrophobicContact CB-CB 3.85Å; C44-C55 WeakPolarHBondContact CB-SG 3.3Å; C44-C55 WeakPolarHBondContact SG-CB 3.35Å; C44-C55 CovalentContact SG-SG 2.03Å; C44-C55 PolarHBondContact SG-SG 3.3Å; H48-C55 CarbonylContact O-C 3.6Å; H48-C55 WeakPolarHBondContact O-CA 3.36Å |
| 56 | C | 80 | Confident | 74.7 | Confident | 38 Ų | 38 | 105.5 Ų | 105.5 | 26% | 0.257 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 136 | 176 | -67.5 | 0 | 0 | 0 | 0 | 111.6 | H48 C50 Y58 | H48-C56 PolarHBondContact N-O 2.74Å; H48-C56 PolarHBondContact O-N 3.37Å; C50-C56 HydrophobicContact CB-CB 3.35Å; C50-C56 WeakPolarHBondContact CB-SG 3.41Å; C50-C56 WeakPolarHBondContact SG-CB 3.33Å; C50-C56 CovalentContact SG-SG 2.03Å; C50-C56 PolarHBondContact SG-SG 3.34Å; C56-Y58 HydrophobicContact CB-CE1 4.32Å |
| 57 | S | 74.8 | Confident | 75.7 | Confident | 64 Ų | 64 | 100.5 Ų | 100.5 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | trans | -95.4 | 89.9 | 167.1 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | Y59 Y60 | S57-Y59 PolarHBondContact O-N 2.8Å; S57-Y60 PolarHBondContact O-N 2.76Å | ||
| 58 | Y | 66.6 | Low | 76.6 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -14 | 178.3 | -64.8 | -64.5 | 0 | 0 | 0 | 114.1 | H48 C56 Y60 E61 | H48-Y58 HydrophobicContact CB-CD2 4.06Å; H48-Y58 HydrophobicContact CB-CE2 3.85Å; H48-Y58 AromaticContact CD2-CD2 3.71Å; C56-Y58 HydrophobicContact CB-CE1 4.32Å; Y58-Y60 PolarHBondContact O-N 3.43Å; Y58-E61 PolarHBondContact O-N 3.35Å |
| 59 | Y | 62.8 | Low | 77.5 | Confident | 190 Ų | 190 | 102.9 Ų | 102.9 | 75% | 0.745 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58 | -36.7 | 178.8 | -136.9 | -86 | 0 | 0 | 0 | 112 | S57 E61 | S57-Y59 PolarHBondContact O-N 2.8Å; Y59-E61 PolarHBondContact O-N 2.81Å |
| 60 | Y | 64.3 | Low | 78.1 | Confident | 153 Ų | 153 | 102.4 Ų | 102.4 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75.1 | -2.9 | -176.5 | -72.5 | -69.3 | 0 | 0 | 0 | 115 | S57 Y58 W63 | S57-Y60 PolarHBondContact O-N 2.76Å; Y58-Y60 PolarHBondContact O-N 3.43Å; Y60-W63 VanDerWaalsContact C-CD1 3.44Å; Y60-W63 AromaticContact CD1-CE2 3.7Å; Y60-W63 HydrophobicContact CD1-CH2 4.49Å; Y60-W63 AromaticContact CD1-CZ2 3.62Å; Y60-W63 HydrophobicContact CD1-CZ2 3.62Å; Y60-W63 AromaticContact CD1-NE1 3.68Å; Y60-W63 HydrophobicContact CE1-CH2 4.23Å; Y60-W63 AromaticContact CE1-CZ2 3.79Å; Y60-W63 HydrophobicContact CE1-CZ2 3.79Å; Y60-W63 VanDerWaalsContact O-CD1 3.31Å; Y60-W63 PolarHBondContact O-NE1 2.8Å |
| 61 | E | 68.1 | Low | 78.9 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -105.5 | -17.9 | -177.8 | -74.2 | -65.1 | 178.4 | 0 | 0 | 115.4 | Y58 Y59 W64 | Y58-E61 PolarHBondContact O-N 3.35Å; Y59-E61 PolarHBondContact O-N 2.81Å; E61-W64 PolarHBondContact O-NE1 3.2Å; E61-W64 PolarHBondContact OE2-NE1 2.82Å |
| 62 | L | 72.3 | Confident | 80.2 | Confident | 112 Ų | 112 | 105.8 Ų | 105.8 | 59% | 0.586 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -106.7 | -33.5 | -179.3 | -79.7 | 71.5 | 0 | 0 | 0 | 112.4 | W64 F65 W66 | L62-W64 PolarHBondContact O-N 2.91Å; L62-F65 WeakPolarHBondContact O-CB 3.29Å; L62-F65 PolarHBondContact O-N 3.15Å; L62-W66 PolarHBondContact O-N 3.24Å |
| 63 | W | 81.8 | Confident | 81.5 | Confident | 134 Ų | 134 | 105 Ų | 105 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | -177.3 | 77.9 | -45.5 | 0 | 0 | 0 | 113.5 | Y60 F65 W66 L67 | Y60-W63 VanDerWaalsContact C-CD1 3.44Å; Y60-W63 AromaticContact CD1-CE2 3.7Å; Y60-W63 HydrophobicContact CD1-CH2 4.49Å; Y60-W63 AromaticContact CD1-CZ2 3.62Å; Y60-W63 HydrophobicContact CD1-CZ2 3.62Å; Y60-W63 AromaticContact CD1-NE1 3.68Å; Y60-W63 HydrophobicContact CE1-CH2 4.23Å; Y60-W63 AromaticContact CE1-CZ2 3.79Å; Y60-W63 HydrophobicContact CE1-CZ2 3.79Å; Y60-W63 VanDerWaalsContact O-CD1 3.31Å; Y60-W63 PolarHBondContact O-NE1 2.8Å; W63-F65 VanDerWaalsContact C-N 3.34Å; W63-F65 PolarHBondContact O-N 3.09Å; W63-W66 PolarHBondContact O-N 3Å; W63-L67 PolarHBondContact O-N 3.24Å |
| 64 | W | 85.4 | Confident | 83 | Confident | 119 Ų | 119 | 106.3 Ų | 106.3 | 45% | 0.451 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.4 | -31 | -179.1 | 72.2 | -93.9 | 0 | 0 | 0 | 112.2 | E61 L62 L67 V68 | E61-W64 PolarHBondContact O-NE1 3.2Å; E61-W64 PolarHBondContact OE2-NE1 2.82Å; L62-W64 PolarHBondContact O-N 2.91Å; W64-L67 WeakPolarHBondContact O-CB 3.43Å; W64-L67 PolarHBondContact O-N 3.49Å; W64-V68 HydrophobicContact CE3-CG2 4.08Å; W64-V68 WeakPolarHBondContact O-CB 3.14Å; W64-V68 WeakPolarHBondContact O-CG2 3.25Å; W64-V68 PolarHBondContact O-N 2.98Å |
| 65 | F | 83.6 | Confident | 83.9 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 172.7 | -179.6 | -93.2 | 0 | 0 | 0 | 109.6 | L62 W63 L67 V68 W69 | L62-F65 WeakPolarHBondContact O-CB 3.29Å; L62-F65 PolarHBondContact O-N 3.15Å; W63-F65 VanDerWaalsContact C-N 3.34Å; W63-F65 PolarHBondContact O-N 3.09Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.41Å; F65-V68 PolarHBondContact O-N 2.79Å; F65-W69 AromaticContact CD1-CD1 3.66Å; F65-W69 AromaticContact CD2-CD1 3.96Å; F65-W69 AromaticContact CD2-NE1 3.87Å; F65-W69 AromaticContact CE1-CD1 3.5Å; F65-W69 VanDerWaalsContact CE1-CD1 3.5Å; F65-W69 AromaticContact CE1-NE1 3.44Å; F65-W69 AromaticContact CE2-CD1 3.82Å; F65-W69 AromaticContact CE2-NE1 3.28Å; F65-W69 VanDerWaalsContact CE2-NE1 3.28Å; F65-W69 AromaticContact CG-CD1 3.91Å; F65-W69 AromaticContact CZ-CD1 3.6Å; F65-W69 AromaticContact CZ-NE1 3.04Å; F65-W69 WeakPolarHBondContact O-CB 3.24Å; F65-W69 VanDerWaalsContact O-CD1 3.23Å; F65-W69 PolarHBondContact O-N 2.76Å |
| 66 | W | 88.3 | Confident | 84.6 | Confident | 180 Ų | 180 | 105.4 Ų | 105.4 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -39.1 | 174.6 | -64.2 | 111.5 | 0 | 0 | 0 | 112.9 | L62 W63 A70 | L62-W66 PolarHBondContact O-N 3.24Å; W63-W66 PolarHBondContact O-N 3Å; W66-A70 VanDerWaalsContact O-CB 3.29Å; W66-A70 WeakPolarHBondContact O-CB 3.34Å; W66-A70 PolarHBondContact O-N 2.87Å |
| 67 | L | 89.9 | Confident | 85.4 | Confident | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -51.3 | 175.5 | -160 | 178.3 | 0 | 0 | 0 | 111.3 | W63 W64 F65 W69 A70 I71 | W63-L67 PolarHBondContact O-N 3.24Å; W64-L67 WeakPolarHBondContact O-CB 3.43Å; W64-L67 PolarHBondContact O-N 3.49Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.41Å; L67-W69 PolarHBondContact O-N 3.39Å; L67-A70 WeakPolarHBondContact O-CB 3.39Å; L67-A70 PolarHBondContact O-N 2.89Å; L67-I71 HydrophobicContact CD2-CD1 3.41Å; L67-I71 VanDerWaalsContact CD2-CD1 3.41Å; L67-I71 HydrophobicContact CD2-CG1 4.01Å; L67-I71 PolarHBondContact O-N 3.49Å |
| 68 | V | 93.8 | Very high | 86.3 | Confident | 65 Ų | 65 | 110.9 Ų | 110.9 | 39% | 0.394 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.7 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | W64 F65 I71 I72 | W64-V68 HydrophobicContact CE3-CG2 4.08Å; W64-V68 WeakPolarHBondContact O-CB 3.14Å; W64-V68 WeakPolarHBondContact O-CG2 3.25Å; W64-V68 PolarHBondContact O-N 2.98Å; F65-V68 PolarHBondContact O-N 2.79Å; V68-I71 PolarHBondContact O-N 3.5Å; V68-I72 HydrophobicContact CG1-CD1 3.75Å; V68-I72 HydrophobicContact CG1-CG1 4.48Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 3.2Å; V68-I72 PolarHBondContact O-N 3.26Å |
| 69 | W | 94.4 | Very high | 87.6 | Confident | 110 Ų | 110 | 109 Ų | 109 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 174 | -86 | 95.8 | 0 | 0 | 0 | 112.4 | F65 L67 I72 F73 | F65-W69 AromaticContact CD1-CD1 3.66Å; F65-W69 AromaticContact CD2-CD1 3.96Å; F65-W69 AromaticContact CD2-NE1 3.87Å; F65-W69 AromaticContact CE1-CD1 3.5Å; F65-W69 VanDerWaalsContact CE1-CD1 3.5Å; F65-W69 AromaticContact CE1-NE1 3.44Å; F65-W69 AromaticContact CE2-CD1 3.82Å; F65-W69 AromaticContact CE2-NE1 3.28Å; F65-W69 VanDerWaalsContact CE2-NE1 3.28Å; F65-W69 AromaticContact CG-CD1 3.91Å; F65-W69 AromaticContact CZ-CD1 3.6Å; F65-W69 AromaticContact CZ-NE1 3.04Å; F65-W69 WeakPolarHBondContact O-CB 3.24Å; F65-W69 VanDerWaalsContact O-CD1 3.23Å; F65-W69 PolarHBondContact O-N 2.76Å; L67-W69 PolarHBondContact O-N 3.39Å; W69-I72 PolarHBondContact O-N 2.79Å; W69-F73 HydrophobicContact CB-CD2 4.48Å; W69-F73 HydrophobicContact CB-CE2 4.28Å; W69-F73 HydrophobicContact CD2-CE2 4.45Å; W69-F73 HydrophobicContact CE3-CD2 4.4Å; W69-F73 HydrophobicContact CE3-CE1 4.34Å; W69-F73 AromaticContact CE3-CE2 3.6Å; W69-F73 HydrophobicContact CE3-CE2 3.6Å; W69-F73 AromaticContact CE3-CZ 3.55Å; W69-F73 HydrophobicContact CE3-CZ 3.55Å; W69-F73 HydrophobicContact CZ3-CE1 4.4Å; W69-F73 HydrophobicContact CZ3-CE2 4.33Å; W69-F73 AromaticContact CZ3-CZ 3.82Å; W69-F73 HydrophobicContact CZ3-CZ 3.82Å; W69-F73 WeakPolarHBondContact O-CD2 3.47Å; W69-F73 WeakPolarHBondContact O-CG 3.4Å; W69-F73 PolarHBondContact O-N 3.16Å |
| 70 | A | 94.6 | Very high | 89 | Confident | 44 Ų | 44 | 104.9 Ų | 104.9 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | W66 L67 I72 F73 I74 | W66-A70 VanDerWaalsContact O-CB 3.29Å; W66-A70 WeakPolarHBondContact O-CB 3.34Å; W66-A70 PolarHBondContact O-N 2.87Å; L67-A70 WeakPolarHBondContact O-CB 3.39Å; L67-A70 PolarHBondContact O-N 2.89Å; A70-I72 PolarHBondContact O-N 3.35Å; A70-F73 PolarHBondContact O-N 3.19Å; A70-I74 WeakPolarHBondContact O-CB 3.49Å; A70-I74 WeakPolarHBondContact O-CD1 3.32Å; A70-I74 WeakPolarHBondContact O-CG1 3.5Å; A70-I74 PolarHBondContact O-N 3.32Å |
| 71 | I | 95.6 | Very high | 90.1 | Very high | 85 Ų | 85 | 99.7 Ų | 99.7 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 173.7 | -71.2 | 175.7 | 0 | 0 | 0 | 111 | L67 V68 F73 I74 L75 | L67-I71 HydrophobicContact CD2-CD1 3.41Å; L67-I71 VanDerWaalsContact CD2-CD1 3.41Å; L67-I71 HydrophobicContact CD2-CG1 4.01Å; L67-I71 PolarHBondContact O-N 3.49Å; V68-I71 PolarHBondContact O-N 3.5Å; I71-F73 PolarHBondContact O-N 3.12Å; I71-I74 PolarHBondContact O-N 3.04Å; I71-L75 HydrophobicContact CG2-CD1 3.76Å; I71-L75 HydrophobicContact CG2-CG 4.2Å; I71-L75 WeakPolarHBondContact O-CB 3.29Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.26Å; I71-L75 PolarHBondContact O-N 3.47Å |
| 72 | I | 96.3 | Very high | 91.1 | Very high | 76 Ų | 76 | 99.6 Ų | 99.6 | 39% | 0.39 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 178.1 | -70 | 164.9 | 0 | 0 | 0 | 111.1 | V68 W69 A70 L75 C76 | V68-I72 HydrophobicContact CG1-CD1 3.75Å; V68-I72 HydrophobicContact CG1-CG1 4.48Å; V68-I72 VanDerWaalsContact O-CG1 3.26Å; V68-I72 WeakPolarHBondContact O-CG1 3.2Å; V68-I72 PolarHBondContact O-N 3.26Å; W69-I72 PolarHBondContact O-N 2.79Å; A70-I72 PolarHBondContact O-N 3.35Å; I72-L75 PolarHBondContact O-N 2.81Å; I72-C76 VanDerWaalsContact O-CB 3.29Å; I72-C76 WeakPolarHBondContact O-CB 3.45Å; I72-C76 PolarHBondContact O-N 2.84Å; I72-C76 PolarHBondContact O-SG 3.44Å |
| 73 | F | 96.3 | Very high | 91.8 | Very high | 127 Ų | 127 | 100.1 Ų | 100.1 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 176 | -72.7 | -55.1 | 0 | 0 | 0 | 112.5 | W69 A70 I71 C76 F77 | W69-F73 HydrophobicContact CB-CD2 4.48Å; W69-F73 HydrophobicContact CB-CE2 4.28Å; W69-F73 HydrophobicContact CD2-CE2 4.45Å; W69-F73 HydrophobicContact CE3-CD2 4.4Å; W69-F73 HydrophobicContact CE3-CE1 4.34Å; W69-F73 AromaticContact CE3-CE2 3.6Å; W69-F73 HydrophobicContact CE3-CE2 3.6Å; W69-F73 AromaticContact CE3-CZ 3.55Å; W69-F73 HydrophobicContact CE3-CZ 3.55Å; W69-F73 HydrophobicContact CZ3-CE1 4.4Å; W69-F73 HydrophobicContact CZ3-CE2 4.33Å; W69-F73 AromaticContact CZ3-CZ 3.82Å; W69-F73 HydrophobicContact CZ3-CZ 3.82Å; W69-F73 WeakPolarHBondContact O-CD2 3.47Å; W69-F73 WeakPolarHBondContact O-CG 3.4Å; W69-F73 PolarHBondContact O-N 3.16Å; A70-F73 PolarHBondContact O-N 3.19Å; I71-F73 PolarHBondContact O-N 3.12Å; F73-C76 PolarHBondContact O-N 2.93Å; F73-F77 VanDerWaalsContact O-CB 3.28Å; F73-F77 WeakPolarHBondContact O-CB 3.31Å; F73-F77 PolarHBondContact O-N 3.37Å |
| 74 | I | 96.4 | Very high | 92 | Very high | 113 Ų | 113 | 100.9 Ų | 100.9 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 176.6 | -70.3 | 163.5 | 0 | 0 | 0 | 110.5 | A70 I71 F77 C78 | A70-I74 WeakPolarHBondContact O-CB 3.49Å; A70-I74 WeakPolarHBondContact O-CD1 3.32Å; A70-I74 WeakPolarHBondContact O-CG1 3.5Å; A70-I74 PolarHBondContact O-N 3.32Å; I71-I74 PolarHBondContact O-N 3.04Å; I74-F77 PolarHBondContact O-N 3.5Å; I74-C78 WeakPolarHBondContact O-CB 3.17Å; I74-C78 PolarHBondContact O-N 3.34Å |
| 75 | L | 95.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 103.1 Ų | 103.1 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 176.6 | -71 | 175.6 | 0 | 0 | 0 | 111.6 | I71 I72 F77 C78 C79 | I71-L75 HydrophobicContact CG2-CD1 3.76Å; I71-L75 HydrophobicContact CG2-CG 4.2Å; I71-L75 WeakPolarHBondContact O-CB 3.29Å; I71-L75 VanDerWaalsContact O-CG 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.26Å; I71-L75 PolarHBondContact O-N 3.47Å; I72-L75 PolarHBondContact O-N 2.81Å; L75-F77 PolarHBondContact O-N 2.89Å; L75-C78 PolarHBondContact O-N 3.35Å; L75-C79 WeakPolarHBondContact O-CB 3.17Å; L75-C79 PolarHBondContact O-N 3.13Å; L75-C79 PolarHBondContact O-SG 3.19Å |
| 76 | C | 96.5 | Very high | 91.9 | Very high | 68 Ų | 68 | 100.7 Ų | 100.7 | 46% | 0.459 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 174.7 | -77.3 | 0 | 0 | 0 | 0 | 112 | I72 F73 C79 I80 | I72-C76 VanDerWaalsContact O-CB 3.29Å; I72-C76 WeakPolarHBondContact O-CB 3.45Å; I72-C76 PolarHBondContact O-N 2.84Å; I72-C76 PolarHBondContact O-SG 3.44Å; F73-C76 PolarHBondContact O-N 2.93Å; C76-C79 PolarHBondContact O-N 3.04Å; C76-I80 WeakPolarHBondContact O-CB 3.15Å; C76-I80 WeakPolarHBondContact O-CD1 3.36Å; C76-I80 VanDerWaalsContact O-CG1 3.25Å; C76-I80 WeakPolarHBondContact O-CG1 3.37Å; C76-I80 PolarHBondContact O-N 3.28Å |
| 77 | F | 95.4 | Very high | 91.5 | Very high | 142 Ų | 142 | 97.9 Ų | 97.9 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 176.3 | -178.5 | -102.9 | 0 | 0 | 0 | 111.6 | F73 I74 L75 I80 C81 | F73-F77 VanDerWaalsContact O-CB 3.28Å; F73-F77 WeakPolarHBondContact O-CB 3.31Å; F73-F77 PolarHBondContact O-N 3.37Å; I74-F77 PolarHBondContact O-N 3.5Å; L75-F77 PolarHBondContact O-N 2.89Å; F77-I80 PolarHBondContact O-N 2.82Å; F77-C81 WeakPolarHBondContact CZ-SG 3.25Å; F77-C81 WeakPolarHBondContact O-CB 3.48Å; F77-C81 PolarHBondContact O-N 2.93Å; F77-C81 PolarHBondContact O-SG 3.1Å; F77-C81 VanDerWaalsContact O-SG 3.37Å |
| 78 | C | 93.9 | Very high | 90.4 | Very high | 74 Ų | 74 | 98 Ų | 98 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 111.4 | I74 L75 C81 H82 | I74-C78 WeakPolarHBondContact O-CB 3.17Å; I74-C78 PolarHBondContact O-N 3.34Å; L75-C78 PolarHBondContact O-N 3.35Å; C78-C81 PolarHBondContact O-N 2.79Å; C78-H82 WeakPolarHBondContact O-CB 3.47Å; C78-H82 PolarHBondContact O-N 3.46Å |
| 79 | C | 93.6 | Very high | 89 | Confident | 85 Ų | 85 | 101.8 Ų | 101.8 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 175.9 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | L75 C76 H82 H83 | L75-C79 WeakPolarHBondContact O-CB 3.17Å; L75-C79 PolarHBondContact O-N 3.13Å; L75-C79 PolarHBondContact O-SG 3.19Å; C76-C79 PolarHBondContact O-N 3.04Å; C79-H82 PolarHBondContact O-N 2.88Å; C79-H83 VanDerWaalsContact O-CB 3.26Å; C79-H83 WeakPolarHBondContact O-CB 3.31Å; C79-H83 PolarHBondContact O-N 3.14Å |
| 80 | I | 93.9 | Very high | 87.4 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176.4 | -69.4 | 165.5 | 0 | 0 | 0 | 110.7 | C76 F77 R84 | C76-I80 WeakPolarHBondContact O-CB 3.15Å; C76-I80 WeakPolarHBondContact O-CD1 3.36Å; C76-I80 VanDerWaalsContact O-CG1 3.25Å; C76-I80 WeakPolarHBondContact O-CG1 3.37Å; C76-I80 PolarHBondContact O-N 3.28Å; F77-I80 PolarHBondContact O-N 2.82Å; I80-R84 WeakPolarHBondContact O-CB 3.42Å; I80-R84 VanDerWaalsContact O-CG 3.31Å; I80-R84 WeakPolarHBondContact O-CG 3.41Å; I80-R84 PolarHBondContact O-N 2.87Å |
| 81 | C | 87.1 | Confident | 85.8 | Confident | 45 Ų | 45 | 105 Ų | 105 | 30% | 0.304 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 178 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | F77 C78 R85 | F77-C81 WeakPolarHBondContact CZ-SG 3.25Å; F77-C81 WeakPolarHBondContact O-CB 3.48Å; F77-C81 PolarHBondContact O-N 2.93Å; F77-C81 PolarHBondContact O-SG 3.1Å; F77-C81 VanDerWaalsContact O-SG 3.37Å; C78-C81 PolarHBondContact O-N 2.79Å; C81-R85 WeakPolarHBondContact O-CB 3.31Å; C81-R85 PolarHBondContact O-N 2.83Å |
| 82 | H | 87.9 | Confident | 84 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -49.9 | 173.8 | -175.8 | -110.3 | 0 | 0 | 0 | 110.9 | C78 C79 R84 R85 T86 | C78-H82 WeakPolarHBondContact O-CB 3.47Å; C78-H82 PolarHBondContact O-N 3.46Å; C79-H82 PolarHBondContact O-N 2.88Å; H82-R84 VanDerWaalsContact C-N 3.31Å; H82-R84 PolarHBondContact O-N 3.38Å; H82-R85 CarbonylContact O-C 3.28Å; H82-R85 PolarHBondContact O-N 3.04Å; H82-T86 WeakPolarHBondContact O-CG2 3.15Å; H82-T86 PolarHBondContact O-N 3.1Å; H82-T86 PolarHBondContact O-OG1 3.06Å; H82-T86 VanDerWaalsContact O-OG1 3.1Å |
| 83 | H | 87.3 | Confident | 82.3 | Confident | 124 Ų | 124 | 109.5 Ų | 109.5 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | 176.4 | 178.5 | -122.3 | 0 | 0 | 0 | 112.5 | C79 T86 K87 | C79-H83 VanDerWaalsContact O-CB 3.26Å; C79-H83 WeakPolarHBondContact O-CB 3.31Å; C79-H83 PolarHBondContact O-N 3.14Å; H83-T86 PolarHBondContact O-OG1 3Å; H83-T86 VanDerWaalsContact O-OG1 3.14Å; H83-K87 WeakPolarHBondContact O-CB 3.21Å; H83-K87 PolarHBondContact O-N 2.8Å |
| 84 | R | 86.8 | Confident | 80.6 | Confident | 149 Ų | 149 | 108.2 Ų | 108.2 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.3 | -44.4 | 170.1 | -75.9 | 179 | 63.8 | -178.4 | -2.1 | 111.9 | I80 H82 K87 H88 | I80-R84 WeakPolarHBondContact O-CB 3.42Å; I80-R84 VanDerWaalsContact O-CG 3.31Å; I80-R84 WeakPolarHBondContact O-CG 3.41Å; I80-R84 PolarHBondContact O-N 2.87Å; H82-R84 VanDerWaalsContact C-N 3.31Å; H82-R84 PolarHBondContact O-N 3.38Å; R84-K87 PolarHBondContact O-N 2.79Å; R84-H88 WeakPolarHBondContact O-CB 3.35Å; R84-H88 PolarHBondContact O-CD2 3.03Å; R84-H88 VanDerWaalsContact O-CG 3.31Å; R84-H88 PolarHBondContact O-N 3.02Å |
| 85 | R | 83.1 | Confident | 79.1 | Confident | 166 Ų | 166 | 111.4 Ų | 111.4 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | -178 | -166.1 | 176.5 | -168.2 | -164.4 | 2.8 | 111.7 | C81 H82 R89 | C81-R85 WeakPolarHBondContact O-CB 3.31Å; C81-R85 PolarHBondContact O-N 2.83Å; H82-R85 CarbonylContact O-C 3.28Å; H82-R85 PolarHBondContact O-N 3.04Å; R85-R89 VanDerWaalsContact O-CG 3.29Å; R85-R89 WeakPolarHBondContact O-CG 3.29Å; R85-R89 PolarHBondContact O-N 2.88Å |
| 86 | T | 82.4 | Confident | 77.4 | Confident | 48 Ų | 48 | 113.3 Ų | 113.3 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 111 | H82 H83 H88 R89 M90 | H82-T86 WeakPolarHBondContact O-CG2 3.15Å; H82-T86 PolarHBondContact O-N 3.1Å; H82-T86 PolarHBondContact O-OG1 3.06Å; H82-T86 VanDerWaalsContact O-OG1 3.1Å; H83-T86 PolarHBondContact O-OG1 3Å; H83-T86 VanDerWaalsContact O-OG1 3.14Å; T86-H88 VanDerWaalsContact C-N 3.33Å; T86-H88 PolarHBondContact O-N 3.37Å; T86-R89 WeakPolarHBondContact O-CB 3.39Å; T86-R89 PolarHBondContact O-N 3.47Å; T86-R89 VanDerWaalsContact O-N 3.13Å; T86-M90 WeakPolarHBondContact O-CG 3.28Å; T86-M90 PolarHBondContact O-N 2.8Å |
| 87 | K | 80.9 | Confident | 76 | Confident | 120 Ų | 120 | 115 Ų | 115 | 52% | 0.522 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 176.1 | -173.7 | 168.9 | -177.3 | 171.3 | 0 | 113 | H83 R84 M90 Q91 | H83-K87 WeakPolarHBondContact O-CB 3.21Å; H83-K87 PolarHBondContact O-N 2.8Å; R84-K87 PolarHBondContact O-N 2.79Å; K87-M90 PolarHBondContact O-N 3.4Å; K87-Q91 WeakPolarHBondContact O-CG 3.21Å; K87-Q91 PolarHBondContact O-N 3.43Å |
| 88 | H | 66.8 | Low | 75 | Confident | 94 Ų | 94 | 112.5 Ų | 112.5 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 174.1 | -73.6 | -53 | 0 | 0 | 0 | 112.4 | R84 T86 Q91 Q92 | R84-H88 WeakPolarHBondContact O-CB 3.35Å; R84-H88 PolarHBondContact O-CD2 3.03Å; R84-H88 VanDerWaalsContact O-CG 3.31Å; R84-H88 PolarHBondContact O-N 3.02Å; T86-H88 VanDerWaalsContact C-N 3.33Å; T86-H88 PolarHBondContact O-N 3.37Å; H88-Q91 PolarHBondContact O-N 2.8Å; H88-Q92 WeakPolarHBondContact O-CG 3.26Å; H88-Q92 PolarHBondContact O-N 3.37Å |
| 89 | R | 64.5 | Low | 73.8 | Confident | 143 Ų | 143 | 114.2 Ų | 114.2 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 172.5 | -76.1 | 174.4 | -178.6 | -140.5 | 4.1 | 111.8 | R85 T86 Q91 Q92 Q93 | R85-R89 VanDerWaalsContact O-CG 3.29Å; R85-R89 WeakPolarHBondContact O-CG 3.29Å; R85-R89 PolarHBondContact O-N 2.88Å; T86-R89 WeakPolarHBondContact O-CB 3.39Å; T86-R89 PolarHBondContact O-N 3.47Å; T86-R89 VanDerWaalsContact O-N 3.13Å; R89-Q91 VanDerWaalsContact C-N 3.35Å; R89-Q91 PolarHBondContact O-N 3.23Å; R89-Q92 PolarHBondContact O-N 2.82Å; R89-Q93 PolarHBondContact O-N 3.27Å |
| 90 | M | 60.8 | Low | 72.8 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 176.5 | -61.8 | -55.1 | 177 | 0 | 0 | 112.1 | T86 K87 Q92 Q93 Q94 | T86-M90 WeakPolarHBondContact O-CG 3.28Å; T86-M90 PolarHBondContact O-N 2.8Å; K87-M90 PolarHBondContact O-N 3.4Å; M90-Q92 VanDerWaalsContact C-N 3.34Å; M90-Q92 PolarHBondContact O-N 3.45Å; M90-Q93 PolarHBondContact O-N 2.97Å; M90-Q94 WeakPolarHBondContact O-CB 3.41Å; M90-Q94 PolarHBondContact O-N 2.79Å |
| 91 | Q | 60.4 | Low | 71.9 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 175.2 | -74.2 | 178 | -26.5 | 0 | 0 | 113.1 | K87 H88 R89 R95 | K87-Q91 WeakPolarHBondContact O-CG 3.21Å; K87-Q91 PolarHBondContact O-N 3.43Å; H88-Q91 PolarHBondContact O-N 2.8Å; R89-Q91 VanDerWaalsContact C-N 3.35Å; R89-Q91 PolarHBondContact O-N 3.23Å; Q91-R95 WeakPolarHBondContact O-CG 3.32Å; Q91-R95 PolarHBondContact O-N 2.77Å; Q91-R95 VanDerWaalsContact O-N 3.1Å |
| 92 | Q | 59.2 | Low | 71.3 | Confident | 132 Ų | 132 | 116.8 Ų | 116.8 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -70.1 | -44 | 172.6 | -74.1 | 175.2 | -44.1 | 0 | 0 | 111.2 | H88 R89 M90 R95 Q96 | H88-Q92 WeakPolarHBondContact O-CG 3.26Å; H88-Q92 PolarHBondContact O-N 3.37Å; R89-Q92 PolarHBondContact O-N 2.82Å; M90-Q92 VanDerWaalsContact C-N 3.34Å; M90-Q92 PolarHBondContact O-N 3.45Å; Q92-R95 PolarHBondContact O-N 2.99Å; Q92-Q96 VanDerWaalsContact O-CB 3.32Å; Q92-Q96 WeakPolarHBondContact O-CB 3.4Å; Q92-Q96 PolarHBondContact O-N 2.82Å |
| 93 | Q | 59 | Low | 70.6 | Confident | 124 Ų | 124 | 113.8 Ų | 113.8 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.7 | -42.9 | 174.6 | -74.4 | 178.1 | -54.4 | 0 | 0 | 112 | R89 M90 Q96 H97 | R89-Q93 PolarHBondContact O-N 3.27Å; M90-Q93 PolarHBondContact O-N 2.97Å; Q93-Q96 PolarHBondContact O-N 3.36Å; Q93-H97 VanDerWaalsContact O-CB 3.24Å; Q93-H97 WeakPolarHBondContact O-CB 3.47Å; Q93-H97 PolarHBondContact O-N 3.49Å |
| 94 | Q | 61.2 | Low | 69.5 | Low | 100 Ų | 100 | 115.4 Ų | 115.4 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.5 | -173.9 | 64.8 | 20.9 | 0 | 0 | 111.6 | M90 H97 E98 | M90-Q94 WeakPolarHBondContact O-CB 3.41Å; M90-Q94 PolarHBondContact O-N 2.79Å; Q94-H97 PolarHBondContact O-N 2.73Å; Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.05Å; Q94-E98 WeakPolarHBondContact O-CB 3.45Å; Q94-E98 VanDerWaalsContact O-CG 3.29Å; Q94-E98 WeakPolarHBondContact O-CG 3.37Å; Q94-E98 PolarHBondContact O-N 3.37Å |
| 95 | R | 65.7 | Low | 68.7 | Low | 180 Ų | 180 | 116.7 Ų | 116.7 | 68% | 0.679 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -38.2 | 176.8 | -75.4 | -173.4 | 177.7 | -140.7 | -1.4 | 113 | Q91 Q92 H97 E98 I99 | Q91-R95 WeakPolarHBondContact O-CG 3.32Å; Q91-R95 PolarHBondContact O-N 2.77Å; Q91-R95 VanDerWaalsContact O-N 3.1Å; Q92-R95 PolarHBondContact O-N 2.99Å; R95-H97 VanDerWaalsContact C-N 3.35Å; R95-E98 PolarHBondContact O-N 2.86Å; R95-I99 VanDerWaalsContact O-CB 3.31Å; R95-I99 WeakPolarHBondContact O-CB 3.46Å; R95-I99 WeakPolarHBondContact O-CD1 3.46Å; R95-I99 WeakPolarHBondContact O-CG1 3.05Å; R95-I99 PolarHBondContact O-N 3.45Å |
| 96 | Q | 58.1 | Low | 67.9 | Low | 142 Ų | 142 | 115.1 Ų | 115.1 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 176.6 | -155.3 | 77.9 | 7.6 | 0 | 0 | 110.4 | Q92 Q93 N100 | Q92-Q96 VanDerWaalsContact O-CB 3.32Å; Q92-Q96 WeakPolarHBondContact O-CB 3.4Å; Q92-Q96 PolarHBondContact O-N 2.82Å; Q93-Q96 PolarHBondContact O-N 3.36Å; Q96-N100 WeakPolarHBondContact O-CB 2.92Å; Q96-N100 PolarHBondContact O-N 3.49Å |
| 97 | H | 67.8 | Low | 66.7 | Low | 104 Ų | 104 | 116.1 Ų | 116.1 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | 175.4 | 179.1 | 61.5 | 0 | 0 | 0 | 112.1 | Q93 Q94 R95 N100 L101 | Q93-H97 VanDerWaalsContact O-CB 3.24Å; Q93-H97 WeakPolarHBondContact O-CB 3.47Å; Q93-H97 PolarHBondContact O-N 3.49Å; Q94-H97 PolarHBondContact O-N 2.73Å; R95-H97 VanDerWaalsContact C-N 3.35Å; H97-N100 PolarHBondContact O-N 3.46Å; H97-L101 WeakPolarHBondContact O-CB 3.46Å; H97-L101 PolarHBondContact O-N 3.27Å |
| 98 | E | 74.8 | Confident | 65.6 | Low | 88 Ų | 88 | 118 Ų | 118 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -43.8 | 174.2 | -76.8 | 169.5 | -177.9 | 0 | 0 | 111.5 | Q94 R95 L101 I102 | Q94-E98 HydrophobicContact CG-CG 4.47Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.05Å; Q94-E98 WeakPolarHBondContact O-CB 3.45Å; Q94-E98 VanDerWaalsContact O-CG 3.29Å; Q94-E98 WeakPolarHBondContact O-CG 3.37Å; Q94-E98 PolarHBondContact O-N 3.37Å; R95-E98 PolarHBondContact O-N 2.86Å; E98-L101 PolarHBondContact O-N 3.3Å; E98-I102 VanDerWaalsContact O-CB 3.25Å; E98-I102 WeakPolarHBondContact O-CB 3.5Å; E98-I102 WeakPolarHBondContact O-CD1 3.44Å; E98-I102 WeakPolarHBondContact O-CG1 3.29Å; E98-I102 PolarHBondContact O-N 2.88Å |
| 99 | I | 68.3 | Low | 64.8 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.9 | -39.5 | 175.5 | -68.9 | 166 | 0 | 0 | 0 | 111 | R95 I102 A103 | R95-I99 VanDerWaalsContact O-CB 3.31Å; R95-I99 WeakPolarHBondContact O-CB 3.46Å; R95-I99 WeakPolarHBondContact O-CD1 3.46Å; R95-I99 WeakPolarHBondContact O-CG1 3.05Å; R95-I99 PolarHBondContact O-N 3.45Å; I99-I102 PolarHBondContact O-N 2.87Å; I99-A103 WeakPolarHBondContact O-CB 3.48Å; I99-A103 PolarHBondContact O-N 3.47Å |
| 100 | N | 73.7 | Confident | 64.1 | Low | 79 Ų | 79 | 120.1 Ų | 120.1 | 42% | 0.422 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.7 | -43.4 | 176.3 | 179.8 | -97.7 | 0 | 0 | 0 | 111.6 | Q96 H97 A103 Y104 | Q96-N100 WeakPolarHBondContact O-CB 2.92Å; Q96-N100 PolarHBondContact O-N 3.49Å; H97-N100 PolarHBondContact O-N 3.46Å; N100-A103 PolarHBondContact O-N 3.36Å; N100-Y104 VanDerWaalsContact O-CD2 3.3Å; N100-Y104 WeakPolarHBondContact O-CD2 3.47Å; N100-Y104 PolarHBondContact O-N 2.92Å; N100-Y104 WeakPolarHBondContact OD1-CD2 2.99Å; N100-Y104 VanDerWaalsContact OD1-CE2 3.31Å; N100-Y104 WeakPolarHBondContact OD1-CE2 3.4Å |
| 101 | L | 74.9 | Confident | 63.4 | Low | 99 Ų | 99 | 119.2 Ų | 119.2 | 52% | 0.518 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.5 | -35.4 | 175 | -174.2 | 67.3 | 0 | 0 | 0 | 111.4 | H97 E98 R105 | H97-L101 WeakPolarHBondContact O-CB 3.46Å; H97-L101 PolarHBondContact O-N 3.27Å; E98-L101 PolarHBondContact O-N 3.3Å; L101-R105 WeakPolarHBondContact O-CA 3.42Å; L101-R105 WeakPolarHBondContact O-CB 3.03Å; L101-R105 PolarHBondContact O-N 2.83Å |
| 102 | I | 72.8 | Confident | 62.8 | Low | 109 Ų | 109 | 118.6 Ų | 118.6 | 56% | 0.559 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.2 | -39.3 | 170.5 | -72.9 | 164.1 | 0 | 0 | 0 | 110.5 | E98 I99 R105 E106 | E98-I102 VanDerWaalsContact O-CB 3.25Å; E98-I102 WeakPolarHBondContact O-CB 3.5Å; E98-I102 WeakPolarHBondContact O-CD1 3.44Å; E98-I102 WeakPolarHBondContact O-CG1 3.29Å; E98-I102 PolarHBondContact O-N 2.88Å; I99-I102 PolarHBondContact O-N 2.87Å; I102-R105 CarbonylContact O-C 3.35Å; I102-R105 PolarHBondContact O-N 3.28Å; I102-E106 WeakPolarHBondContact O-CB 3.4Å; I102-E106 PolarHBondContact O-N 3.46Å |
| 103 | A | 75.1 | Confident | 62.3 | Low | 57 Ų | 57 | 117.3 Ų | 117.3 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.9 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I99 N100 R105 E106 A107 | I99-A103 WeakPolarHBondContact O-CB 3.48Å; I99-A103 PolarHBondContact O-N 3.47Å; N100-A103 PolarHBondContact O-N 3.36Å; A103-R105 VanDerWaalsContact C-N 3.33Å; A103-E106 PolarHBondContact O-N 3.48Å; A103-A107 WeakPolarHBondContact O-CB 3.03Å; A103-A107 PolarHBondContact O-N 3.05Å |
| 104 | Y | 63.4 | Low | 61.6 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 62% | 0.62 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.9 | -39.2 | 170.3 | -84.8 | -65.3 | 0 | 0 | 0 | 111.5 | N100 H108 | N100-Y104 VanDerWaalsContact O-CD2 3.3Å; N100-Y104 WeakPolarHBondContact O-CD2 3.47Å; N100-Y104 PolarHBondContact O-N 2.92Å; N100-Y104 WeakPolarHBondContact OD1-CD2 2.99Å; N100-Y104 VanDerWaalsContact OD1-CE2 3.31Å; N100-Y104 WeakPolarHBondContact OD1-CE2 3.4Å; Y104-H108 WeakPolarHBondContact O-CB 3.37Å; Y104-H108 PolarHBondContact O-N 2.9Å |
| 105 | R | 70.6 | Confident | 61 | Low | 175 Ų | 175 | 119 Ų | 119 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64 | -42.9 | 174.1 | -174.1 | 174.5 | -172 | 135.8 | 3.9 | 111.1 | L101 I102 A103 H108 N109 | L101-R105 WeakPolarHBondContact O-CA 3.42Å; L101-R105 WeakPolarHBondContact O-CB 3.03Å; L101-R105 PolarHBondContact O-N 2.83Å; I102-R105 CarbonylContact O-C 3.35Å; I102-R105 PolarHBondContact O-N 3.28Å; A103-R105 VanDerWaalsContact C-N 3.33Å; R105-H108 CarbonylContact O-C 3.55Å; R105-H108 PolarHBondContact O-N 2.87Å; R105-N109 WeakPolarHBondContact CG-ND2 3.38Å; R105-N109 WeakPolarHBondContact O-CA 3.44Å; R105-N109 WeakPolarHBondContact O-CB 3.14Å; R105-N109 PolarHBondContact O-N 3.13Å; R105-N109 PolarHBondContact O-ND2 2.91Å |
| 106 | E | 66.1 | Low | 60.2 | Low | 134 Ų | 134 | 119.7 Ų | 119.7 | 63% | 0.626 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.6 | -47.3 | 177.5 | -166.3 | 69.1 | -177.5 | 0 | 0 | 110.7 | I102 A103 H108 N109 Y110 | I102-E106 WeakPolarHBondContact O-CB 3.4Å; I102-E106 PolarHBondContact O-N 3.46Å; A103-E106 PolarHBondContact O-N 3.48Å; E106-H108 VanDerWaalsContact C-N 3.26Å; E106-H108 PolarHBondContact O-N 2.89Å; E106-N109 CarbonylContact O-C 3.49Å; E106-N109 VanDerWaalsContact O-C 3.28Å; E106-N109 WeakPolarHBondContact O-CA 3.44Å; E106-N109 PolarHBondContact O-N 2.88Å; E106-Y110 PolarHBondContact O-N 3.49Å |
| 107 | A | 57 | Low | 59.8 | Low | 68 Ų | 68 | 121.2 Ų | 121.2 | 56% | 0.562 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.3 | -35.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A103 | A103-A107 WeakPolarHBondContact O-CB 3.03Å; A103-A107 PolarHBondContact O-N 3.05Å |
| 108 | H | 58.1 | Low | 59.3 | Low | 160 Ų | 160 | 127.1 Ų | 127.1 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -88.8 | -4.2 | 175 | -159 | -60.5 | 0 | 0 | 0 | 113.3 | Y104 R105 E106 | Y104-H108 WeakPolarHBondContact O-CB 3.37Å; Y104-H108 PolarHBondContact O-N 2.9Å; R105-H108 CarbonylContact O-C 3.55Å; R105-H108 PolarHBondContact O-N 2.87Å; E106-H108 VanDerWaalsContact C-N 3.26Å; E106-H108 PolarHBondContact O-N 2.89Å |
| 109 | N | 49.9 | Very low | 58 | Low | 92 Ų | 92 | 131 Ų | 131 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | 32.9 | 170.9 | -77.3 | -103.7 | 0 | 0 | 0 | 110.8 | R105 E106 P111 | R105-N109 WeakPolarHBondContact CG-ND2 3.38Å; R105-N109 WeakPolarHBondContact O-CA 3.44Å; R105-N109 WeakPolarHBondContact O-CB 3.14Å; R105-N109 PolarHBondContact O-N 3.13Å; R105-N109 PolarHBondContact O-ND2 2.91Å; E106-N109 CarbonylContact O-C 3.49Å; E106-N109 VanDerWaalsContact O-C 3.28Å; E106-N109 WeakPolarHBondContact O-CA 3.44Å; E106-N109 PolarHBondContact O-N 2.88Å; N109-P111 WeakPolarHBondContact O-CD 3.17Å |
| 110 | Y | 49.3 | Very low | 57.2 | Low | 189 Ų | 189 | 131.5 Ų | 131.5 | 74% | 0.741 | 64% | 0.639 | S | S | * | * | S | Bend | -72.4 | 90.1 | 125.9 | -73.2 | -84.5 | 0 | 0 | 0 | 109 | E106 S112 | E106-Y110 PolarHBondContact O-N 3.49Å; Y110-S112 PolarHBondContact O-N 3.42Å | |
| 111 | P | 47.1 | Very low | 55.6 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 64% | 0.644 | S | S | * | * | trans | -61.1 | 114.2 | 169 | 28 | -35 | 0 | 0 | 0 | 108 | N109 V113 | N109-P111 WeakPolarHBondContact O-CD 3.17Å; P111-V113 PolarHBondContact O-N 3.36Å | ||
| 112 | S | 47.5 | Very low | 54.4 | Low | 87 Ų | 87 | 134.2 Ų | 134.2 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | trans | 13.3 | 98.5 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 115.2 | Y110 P114 | Y110-S112 PolarHBondContact O-N 3.42Å; S112-P114 WeakPolarHBondContact O-CA 3.02Å | ||
| 113 | V | 49 | Very low | 53.2 | Low | 106 Ų | 106 | 138.5 Ų | 138.5 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | trans | -38.3 | 116.7 | 173.4 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | P111 F115 | P111-V113 PolarHBondContact O-N 3.36Å; V113-F115 PolarHBondContact O-N 3.48Å | ||
| 114 | P | 43.9 | Very low | 52 | Low | 92 Ų | 92 | 143.3 Ų | 143.3 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | trans | -67.8 | 96.3 | -149.8 | 21.7 | -34.3 | 0 | 0 | 0 | 112.5 | S112 Y116 | S112-P114 WeakPolarHBondContact O-CA 3.02Å; P114-Y116 WeakPolarHBondContact O-CD2 3.44Å; P114-Y116 PolarHBondContact O-N 3.27Å | ||
| 115 | F | 47.9 | Very low | 51.2 | Low | 166 Ų | 166 | 142.6 Ų | 142.6 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 49.3 | -7.6 | 162.9 | -81 | -93.2 | 0 | 0 | 0 | 121 | V113 | V113-F115 PolarHBondContact O-N 3.48Š|
| 116 | Y | 48.5 | Very low | 50 | Low | 196 Ų | 196 | 139.6 Ų | 139.6 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -80.5 | -28.1 | -173.2 | -71.9 | -66.8 | 0 | 0 | 0 | 114.9 | P114 R118 F119 | P114-Y116 WeakPolarHBondContact O-CD2 3.44Å; P114-Y116 PolarHBondContact O-N 3.27Å; Y116-R118 VanDerWaalsContact C-N 3.3Å; Y116-R118 PolarHBondContact O-N 3.33Å; Y116-F119 PolarHBondContact O-N 2.83Å |
| 117 | F | 50.7 | Low | 49 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -77.4 | -6.3 | -177.8 | -92.3 | -77.1 | 0 | 0 | 0 | 115.6 | L120 | F117-L120 HydrophobicContact CD1-CD1 3.82Å; F117-L120 HydrophobicContact CE1-CD1 3.93Å |
| 118 | R | 56.3 | Low | 48.3 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -101 | 9.1 | 172.8 | -160.9 | 134.9 | 76.1 | 158.6 | 1.9 | 114.1 | Y116 | Y116-R118 VanDerWaalsContact C-N 3.3Å; Y116-R118 PolarHBondContact O-N 3.33Å |
| 119 | F | 48.4 | Very low | 48.3 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | -133.1 | 66.6 | 168.6 | -70 | -73.1 | 0 | 0 | 0 | 111.2 | Y116 P121 | Y116-F119 PolarHBondContact O-N 2.83Å; F119-P121 WeakPolarHBondContact O-CD 3.36Å | ||
| 120 | L | 50.8 | Low | 48.7 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 63% | 0.634 | 73% | 0.726 | S | S | * | * | trans | -108.1 | 66.6 | 163.2 | -83.9 | 162.8 | 0 | 0 | 0 | 111.4 | F117 N122 | F117-L120 HydrophobicContact CD1-CD1 3.82Å; F117-L120 HydrophobicContact CE1-CD1 3.93Å; L120-N122 PolarHBondContact O-N 3.31Å | ||
| 121 | P | 41.1 | Very low | 48.8 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 53% | 0.532 | 73% | 0.725 | S | S | . | * | trans | -74.9 | 107.8 | 166 | 32.1 | -31.1 | 0 | 0 | 0 | 109.3 | F119 Y123 | F119-P121 WeakPolarHBondContact O-CD 3.36Å; P121-Y123 HydrophobicContact CB-CD2 4.4Å; P121-Y123 WeakPolarHBondContact O-CB 3.02Å; P121-Y123 VanDerWaalsContact O-CD2 3.27Å; P121-Y123 WeakPolarHBondContact O-CD2 3.39Å; P121-Y123 PolarHBondContact O-N 3.22Å | ||
| 122 | N | 48.6 | Very low | 49 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 30.2 | 19.8 | 149.6 | -63 | -42 | 0 | 0 | 0 | 122.3 | L120 | L120-N122 PolarHBondContact O-N 3.31Š|
| 123 | Y | 49 | Very low | 49.2 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | -139.2 | 29.9 | -164 | -68.6 | -68.8 | 0 | 0 | 0 | 115.1 | P121 | P121-Y123 HydrophobicContact CB-CD2 4.4Å; P121-Y123 WeakPolarHBondContact O-CB 3.02Å; P121-Y123 VanDerWaalsContact O-CD2 3.27Å; P121-Y123 WeakPolarHBondContact O-CD2 3.39Å; P121-Y123 PolarHBondContact O-N 3.22Å | ||
| 124 | L | 50.1 | Low | 48.9 | Very low | 158 Ų | 158 | 157.3 Ų | 157.3 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -133.2 | 60.1 | 166.4 | -74.4 | 177.8 | 0 | 0 | 0 | 111.8 | ||||
| 125 | L | 46.5 | Very low | 49.1 | Very low | 144 Ų | 144 | 157.5 Ų | 157.5 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -66.2 | 137.7 | 138.8 | -88.2 | 66 | 0 | 0 | 0 | 107 | E127 | L125-E127 PolarHBondContact O-N 2.99Å; L125-E127 VanDerWaalsContact O-N 3.16Å |
| 126 | P | 43.8 | Very low | 49.3 | Very low | 112 Ų | 112 | 156 Ų | 156 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -63.6 | 112.2 | 159.4 | -18.3 | 32.2 | 0 | 0 | 0 | 108.5 | Y128 | P126-Y128 PolarHBondContact O-N 2.86Š| ||
| 127 | E | 46.2 | Very low | 49.4 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -71.1 | 78 | 178.1 | -166.9 | 71.5 | -93.8 | 0 | 0 | 110.1 | L125 E129 | L125-E127 PolarHBondContact O-N 2.99Å; L125-E127 VanDerWaalsContact O-N 3.16Å; E127-E129 VanDerWaalsContact C-N 3.27Å; E127-E129 PolarHBondContact O-N 3.22Å | ||
| 128 | Y | 42.1 | Very low | 49.4 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | -90.6 | 61 | 178.9 | -116.5 | -74.4 | 0 | 0 | 0 | 111.3 | P126 E130 V131 | P126-Y128 PolarHBondContact O-N 2.86Å; Y128-E130 PolarHBondContact O-N 3.23Å; Y128-V131 HydrophobicContact CD1-CG2 4.13Å | ||
| 129 | E | 57.8 | Low | 49.4 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -59.2 | -22.9 | 176.5 | -163.2 | 175 | 170.5 | 0 | 0 | 112.3 | E127 V131 | E127-E129 VanDerWaalsContact C-N 3.27Å; E127-E129 PolarHBondContact O-N 3.22Å; E129-V131 PolarHBondContact O-N 3.19Å |
| 130 | E | 58.3 | Low | 49.3 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -90.8 | 28.4 | -171.6 | -75.5 | -160.7 | 126.9 | 0 | 0 | 117.3 | Y128 | Y128-E130 PolarHBondContact O-N 3.23Š|
| 131 | V | 51.8 | Low | 49.2 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -116.8 | 6.5 | 163.3 | -159.8 | 0 | 0 | 0 | 0 | 113.1 | Y128 E129 N133 | Y128-V131 HydrophobicContact CD1-CG2 4.13Å; E129-V131 PolarHBondContact O-N 3.19Å; V131-N133 PolarHBondContact O-N 3.04Å |
| 132 | V | 51.4 | Low | 49.1 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -81.2 | 68.5 | 166 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 133 | N | 51.9 | Low | 49.1 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | 175 | 84 | 154.7 | -101 | -62.2 | 0 | 0 | 0 | 113.5 | V131 | V131-N133 PolarHBondContact O-N 3.04Š| ||
| 134 | R | 42.8 | Very low | 49 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -166.1 | 167.9 | 145.9 | -107.8 | -173.8 | -177 | 86.7 | 0.9 | 110.2 | ||
| 135 | P | 47.6 | Very low | 48.8 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -84.4 | 165.5 | -137.5 | -11.4 | 30.3 | 0 | 0 | 0 | 114.8 | T137 | P135-T137 PolarHBondContact O-N 3.24Š| ||
| 136 | P | 51.4 | Low | 48.6 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -68.9 | 93.8 | 176.4 | 29.6 | -35.7 | 0 | 0 | 0 | 111.8 | ||||
| 137 | T | 50.3 | Low | 48.3 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 121.2 | 163 | 52.7 | 0 | 0 | 0 | 0 | 109 | P135 | P135-T137 PolarHBondContact O-N 3.24Š|
| 138 | P | 50.7 | Low | 47.8 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 152.7 | -176.8 | 28.3 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 139 | P | 56.4 | Low | 47.4 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.2 | 175.3 | 28 | -34.9 | 0 | 0 | 0 | 111 | ||
| 140 | P | 47.4 | Very low | 46.2 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 140 | 171.5 | 27.6 | -33.9 | 0 | 0 | 0 | 110 | ||
| 141 | P | 48.3 | Very low | 45 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 137.9 | -174.6 | 27.7 | -34.7 | 0 | 0 | 0 | 112.2 | T143 | P141-T143 PolarHBondContact O-N 3.18Å; P141-T143 VanDerWaalsContact O-N 3.12Å |
| 142 | Y | 38 | Very low | 44.2 | Very low | 234 Ų | 234 | 132 Ų | 132 | 92% | 0.918 | 76% | 0.764 | S | S | * | * | trans | -71.3 | 99.8 | 167.7 | -80 | -91 | 0 | 0 | 0 | 110.2 | A144 | Y142-A144 VanDerWaalsContact C-N 3.35Å; Y142-A144 PolarHBondContact O-N 3.23Å | ||
| 143 | T | 48.4 | Very low | 43.2 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -75.1 | 84.1 | 173.9 | -51 | 0 | 0 | 0 | 0 | 111 | P141 L145 | P141-T143 PolarHBondContact O-N 3.18Å; P141-T143 VanDerWaalsContact O-N 3.12Å; T143-L145 PolarHBondContact O-N 3.28Å | ||
| 144 | A | 48.6 | Very low | 42.4 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | trans | -86.9 | 83 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y142 | Y142-A144 VanDerWaalsContact C-N 3.35Å; Y142-A144 PolarHBondContact O-N 3.23Å | ||
| 145 | L | 44.1 | Very low | 41.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -152.8 | 146.1 | 170.2 | -84.1 | 112.2 | 0 | 0 | 0 | 110.3 | T143 | T143-L145 PolarHBondContact O-N 3.28Š| ||
| 146 | N | 42.5 | Very low | 41.3 | Very low | 144 Ų | 144 | 125.1 Ų | 125.1 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | cis | -156.8 | 172.5 | -30.2 | -124.9 | -11.7 | 0 | 0 | 0 | 110.3 | ||||
| 147 | L | 38.9 | Very low | 40.3 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -62.3 | 149.3 | -171.4 | -141.5 | 66.8 | 0 | 0 | 0 | 115.7 | ||||
| 148 | N | 34.8 | Very low | 39.4 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 83.9 | 142.3 | 154.3 | -53.1 | 114.6 | 0 | 0 | 0 | 123.4 | ||||
| 149 | S | 33 | Very low | 38.9 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 79.4 | 95 | 143.5 | -62.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 150 | S | 34.2 | Very low | 37.6 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 26.5 | 126.2 | 130.1 | -161.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 151 | S | 32.4 | Very low | 36.8 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | 178.5 | 176.7 | 77.9 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 152 | V | 35.1 | Very low | 36.3 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | trans | 47.5 | 100.2 | 156.6 | 178.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 153 | A | 30.9 | Very low | 35.9 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | 60.5 | 100.6 | 68 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 154 | S | 33.9 | Very low | 35 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -165.2 | 160.2 | 158 | -84.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 155 | V | 33.9 | Very low | 34.1 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -108.7 | 144.7 | -173.3 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 156 | A | 33 | Very low | 33.4 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -145 | 101.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 157 | M | 32.2 | Very low | 33.6 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -4.5 | 147.6 | 161.7 | -53.8 | -55.6 | -148 | 0 | 0 | 123 | ||||
| 158 | A | 29.8 | Very low | 33 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -88 | 179.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 159 | P | 41.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -138.9 | -167.1 | 68.7 | 30.6 | -5.4 | 0 | 0 | 0 | 111.9 | |||||
| 160 | E | 27.8 | Very low | 32.9 | Very low | 150 Ų | 150 | 127 Ų | 127 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -151.7 | 151.6 | 28.2 | -83.9 | -166.6 | 65.2 | 0 | 0 | 115.1 | ||||
| 161 | Q | 32.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 46.6 | 155.8 | 139.6 | -61.6 | -161 | 64.5 | 0 | 0 | 124.4 | ||||
| 162 | Q | 36.1 | Very low | 32.4 | Very low | 163 Ų | 163 | 127.8 Ų | 127.8 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | cis | -168.8 | 156.5 | -35.6 | -167.3 | 142.1 | -31.8 | 0 | 0 | 110.6 | ||||
| 163 | A | 29.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | 68.5 | 146.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 164 | G | 30 | Very low | 32.7 | Very low | 64 Ų | 64 | 127.7 Ų | 127.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | 134.6 | 137.1 | -16.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 165 | H | 29.5 | Very low | 33.8 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | 84.1 | 125 | 167.2 | -55.7 | 87.8 | 0 | 0 | 0 | 120 | ||||
| 166 | C | 30.2 | Very low | 34.4 | Very low | 119 Ų | 119 | 126 Ų | 126 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -92.5 | -176.8 | 150.5 | -62.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 167 | P | 46.3 | Very low | 34.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -146.7 | -169.1 | 13.8 | 44.6 | -24.3 | 0 | 0 | 0 | 117.2 | ||||
| 168 | S | 27.2 | Very low | 34.4 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 75.3 | 128.9 | 149.6 | -163.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 169 | T | 29.9 | Very low | 34.5 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | -171.5 | 140 | 123.4 | -74.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 170 | Q | 34.3 | Very low | 34.1 | Very low | 189 Ų | 189 | 126.2 Ų | 126.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -95.7 | 146.3 | 168.5 | -74.8 | -177.8 | -29.1 | 0 | 0 | 111.2 | ||||
| 171 | S | 27.8 | Very low | 34.3 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -160.3 | 154.8 | 144.9 | 57.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 172 | S | 29.1 | Very low | 34 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -127.8 | 150 | 169.6 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 173 | P | 40 | Very low | 33.8 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -143.7 | 173.7 | 117.8 | 37.1 | -22.7 | 0 | 0 | 0 | 114.3 | |||||
| 174 | A | 32.7 | Very low | 34.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -140.3 | -173.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 175 | P | 57.2 | Low | 34.5 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -104.6 | -155 | -42.8 | 34.2 | -16.7 | 0 | 0 | 0 | 109.2 | ||||
| 176 | P | 45.8 | Very low | 34.3 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | -161.8 | 179 | 82 | 44.8 | -23.5 | 0 | 0 | 0 | 118.9 | |||||
| 177 | V | 31 | Very low | 34.6 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 74.6 | 136.3 | 160.2 | -164.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 178 | S | 33.5 | Very low | 34 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -69.9 | 169.1 | -178.8 | -33.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 179 | D | 33.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -162.9 | 166.2 | 120.2 | -118.3 | -27.3 | 0 | 0 | 0 | 113.5 | |||||
| 180 | G | 33 | Very low | 34.1 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 101.3 | 94.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 181 | L | 32.6 | Very low | 34.2 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -98.7 | 153.7 | 168.6 | -79.5 | 164.8 | 0 | 0 | 0 | 112.6 | ||||
| 182 | C | 25.7 | Very low | 35.4 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 91% | 0.912 | 80% | 0.801 | S | S | * | * | trans | -146.9 | 139.6 | 150.3 | -94.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 183 | S | 31.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -141.9 | 136.8 | -157.9 | -69.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 184 | R | 35.7 | Very low | 35.4 | Very low | 235 Ų | 235 | 133.2 Ų | 133.2 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 65.8 | 154.5 | 153 | -72.4 | -169.5 | 79.9 | 151.7 | 3.4 | 120.7 | ||||
| 185 | P | 37.6 | Very low | 35.3 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -94.2 | 177.3 | 175.1 | 40.1 | -37.6 | 0 | 0 | 0 | 113.3 | ||||
| 186 | S | 26 | Very low | 34.2 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 173.4 | 173 | -158.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 187 | I | 37.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -127.7 | 147.7 | -167.4 | -59.8 | 162.3 | 0 | 0 | 0 | 110 | ||||
| 188 | E | 34 | Very low | 33.9 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -149 | 164.8 | 140.6 | -160.9 | 146.1 | 91 | 0 | 0 | 110.3 | ||||
| 189 | E | 32.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -143.1 | 142.7 | -156.1 | 176.7 | -178.9 | 99 | 0 | 0 | 113.3 | ||||
| 190 | A | 26.7 | Very low | 34.3 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -161 | 158.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 191 | Q | 36.4 | Very low | 34.2 | Very low | 188 Ų | 188 | 147.7 Ų | 147.7 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -110.6 | 165.5 | -172.2 | -97 | -163.2 | -3.9 | 0 | 0 | 115.3 | ||||
| 192 | P | 52.6 | Low | 34.3 | Very low | 109 Ų | 109 | 148.4 Ų | 148.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -92.8 | -178.2 | -174.2 | 39.5 | -38.3 | 0 | 0 | 0 | 114 | ||||
| 193 | P | 39 | Very low | 34.9 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -135.4 | 168 | 124.5 | 37.9 | -28.1 | 0 | 0 | 0 | 115.8 | |||||
| 194 | S | 29.9 | Very low | 34.8 | Very low | 94 Ų | 94 | 149.9 Ų | 149.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -78.8 | 163.9 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 195 | F | 30.3 | Very low | 34.7 | Very low | 207 Ų | 207 | 146.5 Ų | 146.5 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | -170.2 | 148.9 | 115.9 | -85.9 | -56.2 | 0 | 0 | 0 | 113.3 | |||||
| 196 | R | 33.5 | Very low | 34.2 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -101.4 | 175.6 | 168.9 | -110.2 | -165 | -170.6 | -155.3 | 7.3 | 108.7 | ||||
| 197 | P | 40 | Very low | 34.5 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -139.9 | -174 | 18.1 | 36.8 | -13.8 | 0 | 0 | 0 | 117.7 | ||||
| 198 | K | 32.1 | Very low | 34.2 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -53.6 | 167.9 | 155.7 | -139 | 48.6 | 173.2 | 179.3 | 0 | 110.5 | ||||
| 199 | P | 43.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -154.9 | 174.3 | 27.9 | 47.1 | -26 | 0 | 0 | 0 | 121.6 | ||||
| 200 | D | 31.2 | Very low | 33.9 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | 72.8 | 158.1 | 137.6 | -93.7 | -74.6 | 0 | 0 | 0 | 129 | ||||
| 201 | N | 31.1 | Very low | 34 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | 76.4 | 115.8 | 164.8 | -74.1 | -55.9 | 0 | 0 | 0 | 122.5 | ||||
| 202 | K | 34.9 | Very low | 33.8 | Very low | 173 Ų | 173 | 141 Ų | 141 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 165.3 | 143.8 | -115 | -178 | 179.4 | -177.5 | 0 | 108.7 | ||||
| 203 | P | 38.8 | Very low | 33 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | -152.8 | 169.5 | 52.2 | 42.5 | -21.5 | 0 | 0 | 0 | 119.1 | |||||
| 204 | H | 28.9 | Very low | 32.7 | Very low | 147 Ų | 147 | 143 Ų | 143 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | 28.5 | 135.3 | 144.4 | -79 | -82.6 | 0 | 0 | 0 | 124.8 | ||||
| 205 | Q | 33.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | 102.7 | 114.9 | 125.9 | -87.2 | -177.5 | 79.2 | 0 | 0 | 122.8 | |||||
| 206 | T | 26.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | 85.6 | 155.4 | 126.1 | -52.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 207 | A | 31.2 | Very low | 32.8 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | 75.6 | 113.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 208 | Q | 32.1 | Very low | 32.3 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | 76.8 | 107.6 | 60.9 | -69.2 | -102.4 | 34.5 | 0 | 0 | 112.9 | |||||
| 209 | D | 28.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | -162.5 | 148.9 | 117.3 | -147.7 | -11.4 | 0 | 0 | 0 | 113.8 | |||||
| 210 | S | 31 | Very low | 31.7 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 39.3 | 139.4 | 150.6 | -69.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 211 | S | 29.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -115.4 | 144 | 171.4 | 169.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 212 | I | 33 | Very low | 31.7 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 82% | 0.821 | 76% | 0.759 | S | S | * | * | trans | -166.3 | 134.2 | 166.4 | -118.1 | 165.4 | 0 | 0 | 0 | 108.9 | ||||
| 213 | I | 34.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -115 | -140.2 | -12.9 | -21.9 | 176.3 | 0 | 0 | 0 | 108.1 | ||||
| 214 | L | 33.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | cis | -147.3 | 164.4 | 5.7 | -136 | -176.6 | 0 | 0 | 0 | 108.7 | ||||
| 215 | L | 32.2 | Very low | 30.9 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -91.6 | 139.6 | 175.8 | -88.3 | 62.3 | 0 | 0 | 0 | 109.8 | ||||
| 216 | S | 35.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | 76.4 | 106.4 | 60.7 | -52.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 217 | D | 28.2 | Very low | 31 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 96% | 0.957 | 77% | 0.77 | S | S | * | * | -156.2 | 174.2 | 120.1 | -141.6 | -31.7 | 0 | 0 | 0 | 110.1 | |||||
| 218 | G | 29.8 | Very low | 30.9 | Very low | 56 Ų | 56 | 138 Ų | 138 | 58% | 0.577 | 77% | 0.767 | S | S | * | * | trans | -129.3 | -156.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 219 | L | 30 | Very low | 30.8 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 151.9 | -174 | -55 | 173.3 | 0 | 0 | 0 | 114.8 | ||||
| 220 | N | 30.8 | Very low | 30.8 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -155.7 | 162.4 | -29.2 | -173.8 | -100.6 | 0 | 0 | 0 | 107.9 | ||||
| 221 | V | 35.1 | Very low | 30.8 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | trans | -11.7 | 131.8 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 222 | E | 28.1 | Very low | 30.8 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | -177.5 | 172.9 | 107.2 | -144.1 | 137.1 | 125.6 | 0 | 0 | 115.4 | |||||
| 223 | M | 27.1 | Very low | 30.6 | Very low | 158 Ų | 158 | 136 Ų | 136 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | trans | 74.4 | 96.1 | 154.6 | -108.6 | 175.3 | -167.9 | 0 | 0 | 123.9 | ||||
| 224 | L | 30.3 | Very low | 30.3 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | 45.7 | 130 | 125.6 | -65.7 | 170 | 0 | 0 | 0 | 123.5 | |||||
| 225 | S | 27.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 123.8 | 145.7 | 126.4 | 75.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 226 | S | 29.6 | Very low | 30.2 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 5 | 126.6 | 159.6 | -55.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 227 | Q | 33.7 | Very low | 30.1 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | 77.6 | 109.3 | 61.5 | -170 | -150.3 | 28.2 | 0 | 0 | 114.3 | |||||
| 228 | E | 27.9 | Very low | 30.2 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | 173.7 | 156.3 | 117.6 | -94.6 | -143.1 | 102.3 | 0 | 0 | 117.4 | |||||
| 229 | K | 30.1 | Very low | 30.3 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | trans | 61.4 | 99 | 147.6 | -76.7 | 164.3 | 175.5 | 130.5 | 0 | 123.7 | ||||
| 230 | K | 30 | Very low | 30.7 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | 58.8 | 115.4 | 102.3 | -174.5 | 75.2 | 173.1 | -174.7 | 0 | 120 | |||||
| 231 | S | 29.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -144.5 | 171.5 | 138.4 | 70 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 232 | G | 29.1 | Very low | 31 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -178.2 | 139 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 233 | S | 29.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | trans | -176.4 | 148.2 | 172.7 | -161.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 234 | G | 29.1 | Very low | 31.6 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -169.8 | -168.1 | -1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 235 | D | 31 | Very low | 31.5 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | trans | -30.8 | 167.2 | 162.3 | 58.1 | -79 | 0 | 0 | 0 | 118.9 | ||||
| 236 | D | 32.3 | Very low | 31.8 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | cis | -155.1 | 177.4 | 7.2 | -155.3 | -106.4 | 0 | 0 | 0 | 114 | ||||
| 237 | S | 32.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 71.3 | 106.3 | 150.2 | -84 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 238 | C | 31.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -68.9 | 166.7 | 164.2 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 239 | K | 32.3 | Very low | 31.8 | Very low | 206 Ų | 206 | 131.9 Ų | 131.9 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -138.6 | 113.7 | 159.8 | -73 | -173.8 | 178.7 | 176.7 | 0 | 111.4 | ||||
| 240 | D | 37 | Very low | 32 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -109.9 | 150.6 | 164.7 | -98.1 | -54.2 | 0 | 0 | 0 | 110.5 | ||||
| 241 | P | 41 | Very low | 32 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -119.8 | 113.1 | 136 | 32.4 | -23.5 | 0 | 0 | 0 | 109.9 | ||||
| 242 | L | 32.2 | Very low | 32.2 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 68.9 | 115.2 | 75.5 | -173.6 | -178 | 0 | 0 | 0 | 111.5 | |||||
| 243 | L | 36.6 | Very low | 32.5 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 58% | 0.581 | 77% | 0.765 | S | S | * | * | cis | -158.7 | 151.3 | -6.9 | -95.6 | 170.3 | 0 | 0 | 0 | 108.8 | D245 | L243-D245 WeakPolarHBondContact CD1-OD2 3.31Š| ||
| 244 | K | 30.5 | Very low | 32.6 | Very low | 204 Ų | 204 | 134 Ų | 134 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -153.4 | 56.5 | 146.3 | -137.9 | 71.7 | -177.7 | 177.4 | 0 | 115.4 | ||||
| 245 | D | 28.6 | Very low | 32.8 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 52% | 0.519 | 77% | 0.773 | S | S | . | * | -5.1 | 135.6 | 122 | -85.8 | -12.7 | 0 | 0 | 0 | 115.2 | L243 | L243-D245 WeakPolarHBondContact CD1-OD2 3.31Š| |||
| 246 | L | 33.8 | Very low | 33 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | cis | -160.6 | 169.4 | 12.5 | -85.4 | 141.7 | 0 | 0 | 0 | 106.7 | ||||
| 247 | S | 30.2 | Very low | 33.4 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 58% | 0.58 | 78% | 0.779 | S | S | * | * | cis | -177.8 | 156 | -17.9 | 54.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 248 | L | 32.1 | Very low | 33.5 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | 54.3 | 122.9 | 155.5 | -71.4 | 160.3 | 0 | 0 | 0 | 119.8 | ||||
| 249 | S | 29.4 | Very low | 33.7 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | -177.6 | 156.5 | 110.1 | -160.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 250 | E | 34.3 | Very low | 34.1 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -49.5 | 155.6 | 178.7 | -72.5 | 138.9 | 89.5 | 0 | 0 | 117.4 | ||||
| 251 | G | 29.1 | Very low | 34.1 | Very low | 67 Ų | 67 | 145.6 Ų | 145.6 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 176.4 | 84.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T253 | G251-T253 PolarHBondContact O-N 3.4Š| ||
| 252 | C | 34.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -70.1 | 117.3 | 167.6 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | E254 | C252-E254 PolarHBondContact O-N 3.42Š| ||
| 253 | T | 35.4 | Very low | 34.8 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -91.3 | 76.3 | 172.5 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | G251 | G251-T253 PolarHBondContact O-N 3.4Š| ||
| 254 | E | 30.9 | Very low | 34.9 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | 32.3 | 119.8 | 146 | -53.7 | -170.4 | 115.9 | 0 | 0 | 119.6 | C252 K256 | C252-E254 PolarHBondContact O-N 3.42Å; E254-K256 PolarHBondContact O-N 3.36Å | ||
| 255 | D | 32.8 | Very low | 35.8 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -52 | 117.1 | 167.8 | -64.6 | -95.7 | 0 | 0 | 0 | 112.6 | E257 | D255-E257 PolarHBondContact O-N 2.03Š| ||
| 256 | K | 35.8 | Very low | 36.5 | Very low | 192 Ų | 192 | 155 Ų | 155 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -79 | 66.6 | 169.2 | -167.1 | 169.2 | 179.6 | 175.7 | 0 | 110.7 | E254 R258 | E254-K256 PolarHBondContact O-N 3.36Å; K256-R258 PolarHBondContact O-N 2.89Å | ||
| 257 | E | 40.1 | Very low | 37.1 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -61.6 | 108.3 | 169.3 | 49.7 | 153.7 | -144 | 0 | 0 | 110.7 | D255 | D255-E257 PolarHBondContact O-N 2.03Š| ||
| 258 | R | 35.1 | Very low | 37.8 | Very low | 216 Ų | 216 | 158.9 Ų | 158.9 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | trans | -144.6 | 68.3 | 168.5 | -120.7 | 172.8 | 178.3 | 73.9 | -0.4 | 110.9 | K256 P260 | K256-R258 PolarHBondContact O-N 2.89Å; R258-P260 WeakPolarHBondContact O-CD 3.24Å | ||
| 259 | L | 36.7 | Very low | 38.1 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -61.8 | 121.1 | 164.4 | -72.9 | 159.7 | 0 | 0 | 0 | 109.5 | ||||
| 260 | P | 39.4 | Very low | 38.7 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -70.9 | 137.6 | 160.8 | 30 | -31.7 | 0 | 0 | 0 | 110.1 | R258 G262 | R258-P260 WeakPolarHBondContact O-CD 3.24Å; P260-G262 PolarHBondContact O-N 3.36Å | ||
| 261 | N | 37.5 | Very low | 39.7 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 51 | 60.4 | 153.7 | -60.1 | -6.2 | 0 | 0 | 0 | 119 | ||
| 262 | G | 45.1 | Very low | 40.7 | Very low | 82 Ų | 82 | 152.1 Ų | 152.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | 50.3 | 83.4 | 119.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | P260 | P260-G262 PolarHBondContact O-N 3.36Š| |||
| 263 | R | 42.4 | Very low | 41.4 | Very low | 200 Ų | 200 | 151.2 Ų | 151.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -124.8 | 114.7 | 148.8 | -165.8 | 170.9 | -178.5 | 176.5 | 0.7 | 110.3 | R265 | R263-R265 VanDerWaalsContact C-N 3.3Å; R263-R265 PolarHBondContact O-N 3.05Å | ||
| 264 | R | 38.1 | Very low | 42.4 | Very low | 195 Ų | 195 | 153 Ų | 153 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | -71.7 | 73.4 | -172.4 | -164.4 | -168.3 | -158.5 | -68.5 | 1.4 | 112.5 | R266 | R264-R266 PolarHBondContact O-N 2.87Š| ||
| 265 | R | 50 | Low | 43.3 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 75% | 0.751 | 77% | 0.768 | S | S | * | * | trans | -59.7 | 106.4 | 175.9 | -62.2 | -171.7 | -172.6 | -143.6 | 2.4 | 109.9 | R263 F267 | R263-R265 VanDerWaalsContact C-N 3.3Å; R263-R265 PolarHBondContact O-N 3.05Å; R265-F267 HydrophobicContact CB-CD2 4.47Å; R265-F267 HydrophobicContact CB-CE2 4.2Å; R265-F267 PolarHBondContact O-N 3.27Å | ||
| 266 | R | 44.4 | Very low | 43.9 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 73% | 0.725 | 76% | 0.758 | S | S | * | * | trans | -85.3 | 101.5 | 167.4 | -73.4 | -177.2 | 178.6 | -99.5 | 7.8 | 107.8 | R264 | R264-R266 PolarHBondContact O-N 2.87Š| ||
| 267 | F | 44.7 | Very low | 44.4 | Very low | 177 Ų | 177 | 142 Ų | 142 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -72.4 | 128 | 165.6 | -74.9 | -89 | 0 | 0 | 0 | 109.2 | R265 | R265-F267 HydrophobicContact CB-CD2 4.47Å; R265-F267 HydrophobicContact CB-CE2 4.2Å; R265-F267 PolarHBondContact O-N 3.27Å | ||
| 268 | T | 45.3 | Very low | 44.7 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 74% | 0.739 | S | S | * | * | trans | -149.9 | 115.2 | 172.3 | 25.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 269 | G | 39.5 | Very low | 45 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 94.5 | 143.9 | -166.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 270 | D | 42.1 | Very low | 45.3 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -78.6 | -25.5 | 173.3 | 50.9 | 10.3 | 0 | 0 | 0 | 112.8 | G272 | D270-G272 PolarHBondContact O-N 2.81Å; D270-G272 VanDerWaalsContact O-N 3.16Å |
| 271 | S | 53.8 | Low | 45.1 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -72.5 | 102.3 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | I273 | S271-I273 PolarHBondContact O-N 3.38Š|
| 272 | G | 52 | Low | 44.9 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | -70 | 60.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D270 E274 | D270-G272 PolarHBondContact O-N 2.81Å; D270-G272 VanDerWaalsContact O-N 3.16Å; G272-E274 PolarHBondContact O-N 3.05Å | ||
| 273 | I | 49.1 | Very low | 44.3 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 59% | 0.585 | 75% | 0.749 | S | S | * | * | trans | -81.4 | 104.4 | 172.6 | -174.9 | 172.7 | 0 | 0 | 0 | 110.7 | S271 V275 L369 | S271-I273 PolarHBondContact O-N 3.38Å; I273-V275 HydrophobicContact CG1-CG2 4.47Å; I273-V275 PolarHBondContact O-N 2.98Å; I273-L369 HydrophobicContact CD1-CD1 3.56Å | ||
| 274 | E | 56.3 | Low | 43.8 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -82.1 | 98.1 | 175.9 | 55.5 | -174.8 | 178.4 | 0 | 0 | 112 | G272 C276 | G272-E274 PolarHBondContact O-N 3.05Å; E274-C276 PolarHBondContact O-N 3.36Å | ||
| 275 | V | 48.5 | Very low | 43.6 | Very low | 100 Ų | 100 | 122 Ų | 122 | 61% | 0.606 | 75% | 0.754 | S | S | * | * | trans | -74.8 | 93.3 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I273 V277 | I273-V275 HydrophobicContact CG1-CG2 4.47Å; I273-V275 PolarHBondContact O-N 2.98Å; V275-V277 HydrophobicContact CG1-CG2 4.12Å; V275-V277 PolarHBondContact O-N 3.49Å; V275-V277 VanDerWaalsContact O-N 3.12Å | ||
| 276 | C | 45.5 | Very low | 42.7 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | trans | -76.3 | 98 | 178.6 | -154.9 | 0 | 0 | 0 | 0 | 111.1 | E274 C278 | E274-C276 PolarHBondContact O-N 3.36Å; C276-C278 PolarHBondContact O-N 3.32Å | ||
| 277 | V | 46.4 | Very low | 42.2 | Very low | 104 Ų | 104 | 119.3 Ų | 119.3 | 63% | 0.63 | 77% | 0.771 | S | S | * | * | trans | -84.3 | 94.8 | 178.7 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | V275 G279 | V275-V277 HydrophobicContact CG1-CG2 4.12Å; V275-V277 PolarHBondContact O-N 3.49Å; V275-V277 VanDerWaalsContact O-N 3.12Å; V277-G279 PolarHBondContact O-N 2.03Å | ||
| 278 | C | 47.8 | Very low | 41.4 | Very low | 84 Ų | 84 | 114.7 Ų | 114.7 | 57% | 0.568 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 111.7 | 168.3 | -67.2 | 0 | 0 | 0 | 0 | 110.4 | C276 T280 | C276-C278 PolarHBondContact O-N 3.32Å; C278-T280 PolarHBondContact O-N 3.23Å | ||
| 279 | G | 40.9 | Very low | 40.8 | Very low | 71 Ų | 71 | 113.2 Ų | 113.2 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 107.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V277 R281 | V277-G279 PolarHBondContact O-N 2.03Å; G279-R281 PolarHBondContact O-N 3.45Å | ||
| 280 | T | 43.2 | Very low | 40.3 | Very low | 150 Ų | 150 | 114.3 Ų | 114.3 | 92% | 0.92 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 101.3 | 173.2 | 48.6 | 0 | 0 | 0 | 0 | 110.8 | C278 | C278-T280 PolarHBondContact O-N 3.23Š| ||
| 281 | R | 34.8 | Very low | 39.8 | Very low | 248 Ų | 248 | 110.7 Ų | 110.7 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -133.6 | 124.4 | 174.5 | -168.7 | -177.8 | -169.3 | -161.3 | 1.6 | 110.4 | G279 | G279-R281 PolarHBondContact O-N 3.45Š| ||
| 282 | G | 32.9 | Very low | 39 | Very low | 77 Ų | 77 | 113.6 Ų | 113.6 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 121.2 | -17.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | G284 | G282-G284 VanDerWaalsContact C-N 3.33Å; G282-G284 PolarHBondContact O-N 3.1Å | ||
| 283 | G | 33.2 | Very low | 38 | Very low | 90 Ų | 90 | 113 Ų | 113 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 70.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 284 | G | 32 | Very low | 37.5 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 115.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G282 | G282-G284 VanDerWaalsContact C-N 3.33Å; G282-G284 PolarHBondContact O-N 3.1Å | ||
| 285 | G | 33.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 116.5 Ų | 116.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -93.5 | 171.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 286 | Y | 30.9 | Very low | 35.8 | Very low | 249 Ų | 249 | 120.1 Ų | 120.1 | 98% | 0.976 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -72.8 | 149.6 | 169.9 | -90.5 | -111.3 | 0 | 0 | 0 | 112.5 | ||
| 287 | G | 32.9 | Very low | 35.4 | Very low | 84 Ų | 84 | 124 Ų | 124 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | 123.9 | 111.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 288 | G | 29.4 | Very low | 34.6 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | -136 | 167.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 289 | A | 31.5 | Very low | 34 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | trans | -161.3 | 124 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 290 | G | 29 | Very low | 33.8 | Very low | 88 Ų | 88 | 131 Ų | 131 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | 69.8 | 113.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 291 | G | 31.1 | Very low | 33.1 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | 170.3 | 130.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 292 | T | 37.7 | Very low | 33.2 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 93% | 0.933 | 84% | 0.838 | S | S | * | * | trans | -123.2 | 133.8 | -175.5 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 293 | G | 32 | Very low | 33.2 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | trans | 141.9 | 111.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 294 | Q | 37.6 | Very low | 33.3 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | 67.5 | 91.8 | 63.1 | -67.7 | -162.7 | 20.8 | 0 | 0 | 114.6 | |||||
| 295 | E | 36.3 | Very low | 33.5 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | trans | -172.5 | 131 | 131.3 | -95.3 | 166.6 | 130 | 0 | 0 | 104.9 | ||||
| 296 | Q | 32.8 | Very low | 33.5 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | 65.3 | 129.8 | 58.3 | -61.9 | -165.8 | 108 | 0 | 0 | 111.6 | |||||
| 297 | E | 36.8 | Very low | 33.6 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | cis | -156.9 | -171.2 | 10.9 | 63.1 | 178.3 | 123.8 | 0 | 0 | 113.9 | ||||
| 298 | S | 30.2 | Very low | 33.7 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 82% | 0.819 | S | S | * | * | trans | 67.9 | 121.1 | 173 | -67.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 299 | L | 34.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | cis | 70.5 | 127.8 | 40.3 | -52.7 | 168.8 | 0 | 0 | 0 | 112.2 | ||||
| 300 | L | 37.3 | Very low | 34.8 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | cis | -134.2 | 168.9 | 6.8 | -64.8 | 167.8 | 0 | 0 | 0 | 109.3 | ||||
| 301 | G | 27.8 | Very low | 35.4 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | cis | -173.2 | 178.2 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 302 | R | 38.2 | Very low | 35.7 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -117.8 | 132.2 | -169.7 | 177.3 | -178.5 | 178.4 | -124 | 1.9 | 112.1 | ||||
| 303 | G | 31.7 | Very low | 35.8 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -153 | 76.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 304 | V | 36.6 | Very low | 36.1 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | trans | 4.8 | 110.5 | 157.1 | -178.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 305 | D | 36.4 | Very low | 36.4 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | 70.9 | 147.2 | 129.8 | -154.9 | 18.9 | 0 | 0 | 0 | 122 | |||||
| 306 | G | 33.4 | Very low | 36.5 | Very low | 73 Ų | 73 | 151.5 Ų | 151.5 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 102.3 | 79.8 | 168 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 307 | G | 32.8 | Very low | 37.1 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -173.6 | 131.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 308 | N | 34.4 | Very low | 37.4 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -73.2 | 155.6 | -171 | -157.9 | 81.7 | 0 | 0 | 0 | 113.7 | ||||
| 309 | E | 45.3 | Very low | 38 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | trans | -51.3 | 139 | 166.9 | -61.5 | 157 | -177.3 | 0 | 0 | 112.6 | ||||
| 310 | E | 39 | Very low | 38.3 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 173.3 | 76.6 | 140.4 | -97.2 | 170.2 | -141.2 | 0 | 0 | 108.8 | ||||
| 311 | E | 41.1 | Very low | 38.8 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -91.1 | 113 | 165.1 | -72.5 | -169.6 | 160.4 | 0 | 0 | 108.8 | E313 | E311-E313 PolarHBondContact O-N 3.25Å; E311-E313 VanDerWaalsContact O-N 3.13Å | ||
| 312 | E | 38.6 | Very low | 39.8 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 98.7 | 171.4 | -67.3 | -174.9 | 140.8 | 0 | 0 | 109.5 | E314 | E312-E314 PolarHBondContact O-N 2.85Š| ||
| 313 | E | 39.3 | Very low | 40.2 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 83.4 | 165.2 | -72.7 | -165.7 | 134.7 | 0 | 0 | 109.7 | E311 E315 | E311-E313 PolarHBondContact O-N 3.25Å; E311-E313 VanDerWaalsContact O-N 3.13Å; E313-E315 PolarHBondContact O-N 2.03Å | ||
| 314 | E | 38 | Very low | 40.9 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -65.1 | 98 | 167.6 | -172.2 | 176.5 | -144.5 | 0 | 0 | 108.7 | E312 D316 | E312-E314 PolarHBondContact O-N 2.85Å; E314-D316 PolarHBondContact O-N 2.85Å | ||
| 315 | E | 44.5 | Very low | 41 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -56.2 | 111.7 | -179.6 | -70.5 | -169.9 | 137.4 | 0 | 0 | 111 | E313 A317 | E313-E315 PolarHBondContact O-N 2.03Å; E315-A317 PolarHBondContact O-N 2.92Å | ||
| 316 | D | 37.9 | Very low | 41 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -66.4 | 82.7 | 172.3 | -179 | 29.2 | 0 | 0 | 0 | 110 | E314 G318 | E314-D316 PolarHBondContact O-N 2.85Å; D316-G318 PolarHBondContact O-N 3.1Å | ||
| 317 | A | 45.2 | Very low | 41.1 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -71.9 | 58.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E315 D319 | E315-A317 PolarHBondContact O-N 2.92Å; A317-D319 PolarHBondContact O-N 2.94Å | ||
| 318 | G | 43 | Very low | 41.2 | Very low | 45 Ų | 45 | 145.8 Ų | 145.8 | 46% | 0.464 | 78% | 0.778 | S | S | . | * | trans | -63.9 | 125.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D316 F320 | D316-G318 PolarHBondContact O-N 3.1Å; G318-F320 PolarHBondContact O-N 2.74Å | ||
| 319 | D | 42.9 | Very low | 41.1 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | trans | -53.6 | 92.8 | 173.8 | -88.7 | -37.6 | 0 | 0 | 0 | 111 | A317 | A317-D319 PolarHBondContact O-N 2.94Š| ||
| 320 | F | 40.9 | Very low | 40.4 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -88.4 | 141.4 | 178.4 | -131.8 | -92.3 | 0 | 0 | 0 | 110.6 | G318 D322 | G318-F320 PolarHBondContact O-N 2.74Å; F320-D322 PolarHBondContact O-N 3.27Å | ||
| 321 | C | 48.3 | Very low | 39.9 | Very low | 59 Ų | 59 | 140.1 Ų | 140.1 | 40% | 0.399 | 77% | 0.774 | S | S | . | * | trans | -81.6 | 101.1 | -179.1 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | S323 C324 | C321-S323 PolarHBondContact O-N 3.2Å; C321-C324 PolarHBondContact O-N 3.37Å | ||
| 322 | D | 48.1 | Very low | 39.7 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -50.5 | -26.3 | 178.5 | -76.9 | -47.4 | 0 | 0 | 0 | 114.2 | F320 C324 G325 | F320-D322 PolarHBondContact O-N 3.27Å; D322-C324 PolarHBondContact O-N 3.04Å; D322-C324 VanDerWaalsContact O-N 3.09Å; D322-G325 PolarHBondContact O-N 2.76Å; D322-G325 VanDerWaalsContact O-N 3.15Å |
| 323 | S | 46.8 | Very low | 40 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -66.2 | -11.1 | -176.6 | -164.5 | 0 | 0 | 0 | 0 | 114.7 | C321 G325 | C321-S323 PolarHBondContact O-N 3.2Å; S323-G325 VanDerWaalsContact C-N 3.27Å; S323-G325 PolarHBondContact O-N 3.04Å |
| 324 | C | 46 | Very low | 39.5 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 55% | 0.547 | 77% | 0.766 | S | S | . | * | G | 310 helix | trans | -81.7 | 1 | 174.3 | -76.6 | 0 | 0 | 0 | 0 | 114.1 | C321 D322 H326 | C321-C324 PolarHBondContact O-N 3.37Å; D322-C324 PolarHBondContact O-N 3.04Å; D322-C324 VanDerWaalsContact O-N 3.09Å; C324-H326 VanDerWaalsContact C-N 3.27Å; C324-H326 PolarHBondContact O-N 2.93Å |
| 325 | G | 39.1 | Very low | 39.3 | Very low | 64 Ų | 64 | 136.1 Ų | 136.1 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | trans | -71.2 | 65 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | D322 S323 R327 | D322-G325 PolarHBondContact O-N 2.76Å; D322-G325 VanDerWaalsContact O-N 3.15Å; S323-G325 VanDerWaalsContact C-N 3.27Å; S323-G325 PolarHBondContact O-N 3.04Å; G325-R327 PolarHBondContact O-N 2.9Å | ||
| 326 | H | 36.7 | Very low | 38.7 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -67.4 | 102.7 | 173.8 | -97.3 | 26.9 | 0 | 0 | 0 | 111.8 | C324 A328 | C324-H326 VanDerWaalsContact C-N 3.27Å; C324-H326 PolarHBondContact O-N 2.93Å; H326-A328 VanDerWaalsContact C-N 3.26Å; H326-A328 PolarHBondContact O-N 3.26Å | ||
| 327 | R | 34.4 | Very low | 38.4 | Very low | 218 Ų | 218 | 132.7 Ų | 132.7 | 82% | 0.823 | 75% | 0.754 | S | S | * | * | trans | -66.7 | 77.5 | 174.8 | -174.2 | -179.9 | 176.5 | 167.4 | -1.3 | 111.5 | G325 S329 | G325-R327 PolarHBondContact O-N 2.9Å; R327-S329 WeakPolarHBondContact CG-OG 2.97Å; R327-S329 PolarHBondContact O-N 2.84Å | ||
| 328 | A | 36.5 | Very low | 37.7 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -74.4 | 64.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H326 | H326-A328 VanDerWaalsContact C-N 3.26Å; H326-A328 PolarHBondContact O-N 3.26Å | ||
| 329 | S | 32.3 | Very low | 37 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 54% | 0.538 | 78% | 0.779 | S | S | . | * | trans | -136.6 | 101.3 | 169.8 | 13.8 | 0 | 0 | 0 | 0 | 108.4 | R327 S331 | R327-S329 WeakPolarHBondContact CG-OG 2.97Å; R327-S329 PolarHBondContact O-N 2.84Å; S329-S331 PolarHBondContact O-N 2.85Å | ||
| 330 | L | 30.9 | Very low | 36.3 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | trans | -62 | 119 | 176.3 | -66.9 | 166.2 | 0 | 0 | 0 | 109.1 | L332 | L330-L332 PolarHBondContact O-N 2.81Š| ||
| 331 | S | 27.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -82.4 | 101.5 | 172.9 | -165.7 | 0 | 0 | 0 | 0 | 109 | S329 | S329-S331 PolarHBondContact O-N 2.85Š| ||
| 332 | L | 37.8 | Very low | 35.1 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -103.3 | 114.7 | 163.8 | -168.2 | 127 | 0 | 0 | 0 | 108.8 | L330 | L330-L332 PolarHBondContact O-N 2.81Š| ||
| 333 | E | 43.3 | Very low | 34.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 18.4 | 114.3 | 154.8 | -58.9 | 172.1 | 106.4 | 0 | 0 | 118.7 | ||||
| 334 | E | 30 | Very low | 33.8 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -147.2 | 118.4 | 134.9 | -159.2 | 167.4 | 95.6 | 0 | 0 | 109.5 | ||||
| 335 | E | 33.4 | Very low | 33 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -119.9 | 132.1 | 173.6 | -146.4 | -148.9 | 133.8 | 0 | 0 | 109.6 | ||||
| 336 | Q | 32.3 | Very low | 32.6 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | trans | 55.3 | 126.2 | 169.5 | -51.6 | -172.5 | 29.2 | 0 | 0 | 119.2 | ||||
| 337 | A | 30.4 | Very low | 32.3 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | 152.3 | 162 | 104.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 338 | L | 30.6 | Very low | 32 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -72 | 133.9 | 174.5 | -79.1 | 67.3 | 0 | 0 | 0 | 112 | ||||
| 339 | G | 29 | Very low | 32.8 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | 73.8 | 123.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 340 | G | 27.5 | Very low | 33.7 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 179.9 | 161.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 341 | A | 32.1 | Very low | 33.7 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -134.1 | 170.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 342 | E | 32.2 | Very low | 34.1 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | 88.9 | 112.4 | 163 | -54.8 | -125.6 | 90.8 | 0 | 0 | 120.3 | ||||
| 343 | R | 34.2 | Very low | 34.6 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 75% | 0.751 | 81% | 0.81 | S | S | * | * | trans | 61.7 | 102.9 | 130.8 | -58 | -172.7 | -151.5 | 175.7 | 21.3 | 121.9 | ||||
| 344 | R | 33.3 | Very low | 34.9 | Very low | 238 Ų | 238 | 138.2 Ų | 138.2 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | 57.2 | 107.4 | 104.1 | -169.3 | -170.1 | -162.7 | 157.9 | 6.3 | 119.1 | |||||
| 345 | A | 30.9 | Very low | 35.1 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 147.1 | 107.9 | 121.7 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 346 | G | 30.1 | Very low | 35.1 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | 83.3 | 136.8 | 112.6 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 347 | R | 30.4 | Very low | 35 | Very low | 259 Ų | 259 | 129.9 Ų | 129.9 | 98% | 0.977 | 82% | 0.815 | S | S | * | * | trans | 78.4 | 130.1 | 160.9 | -63.4 | -176.2 | 166.7 | -141.3 | -1.6 | 120.1 | ||||
| 348 | G | 27.2 | Very low | 35.1 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | 126.5 | 105.1 | 128.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 349 | P | 53.8 | Low | 35.1 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -87.9 | -172.1 | 159 | 41.7 | -37 | 0 | 0 | 0 | 110 | ||||
| 350 | P | 50.9 | Low | 35.6 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | cis | -139.4 | -172.5 | 8.3 | 38.4 | -16.5 | 0 | 0 | 0 | 115.7 | ||||
| 351 | L | 31.7 | Very low | 36.2 | Very low | 164 Ų | 164 | 132 Ų | 132 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | 169.3 | 132 | 120.1 | -88.1 | 161.8 | 0 | 0 | 0 | 113.9 | |||||
| 352 | T | 34.5 | Very low | 36.5 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -108.9 | -177.1 | 157.1 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 353 | P | 50 | Low | 37 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | cis | -135.7 | -148.3 | 15.6 | 43.7 | -20.2 | 0 | 0 | 0 | 111.3 | ||||
| 354 | P | 49.4 | Very low | 37.1 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | -134.7 | 178.7 | -5.4 | 40.5 | -20.6 | 0 | 0 | 0 | 118 | ||||
| 355 | N | 34.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 118 Ų | 118 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -70 | 157.1 | -179.3 | -61.8 | -22.2 | 0 | 0 | 0 | 115.6 | ||||
| 356 | A | 32.5 | Very low | 37.6 | Very low | 103 Ų | 103 | 118.7 Ų | 118.7 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -150.9 | 142.9 | 144.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 357 | G | 29.9 | Very low | 38.1 | Very low | 81 Ų | 81 | 122 Ų | 122 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 76.8 | 90.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | G359 | G357-G359 PolarHBondContact O-N 2.88Š| ||
| 358 | S | 32.1 | Very low | 38.5 | Very low | 137 Ų | 137 | 116.5 Ų | 116.5 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -78.3 | 113 | 159.6 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 359 | G | 30.5 | Very low | 39.1 | Very low | 58 Ų | 58 | 118.5 Ų | 118.5 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | trans | -126.9 | 115.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | G357 L361 | G357-G359 PolarHBondContact O-N 2.88Å; G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 2.92Å | ||
| 360 | S | 41.1 | Very low | 38.3 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 75 | -179.8 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 361 | L | 38.8 | Very low | 37.8 | Very low | 159 Ų | 159 | 120.2 Ų | 120.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 136 | 162.4 | -90 | 68.3 | 0 | 0 | 0 | 109.4 | G359 | G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 2.92Å |
| 362 | G | 38.8 | Very low | 38 | Very low | 58 Ų | 58 | 119.6 Ų | 119.6 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 163.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 363 | P | 41.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 136.1 | -178.1 | 24.5 | -34.2 | 0 | 0 | 0 | 110.8 | A365 | P363-A365 PolarHBondContact O-N 3.19Š|
| 364 | P | 38.2 | Very low | 37.9 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.6 | -176.6 | 26.4 | -33.9 | 0 | 0 | 0 | 110.4 | C366 | P364-C366 PolarHBondContact O-N 2.75Å; P364-C366 PolarHBondContact O-SG 2.9Å; P364-C366 VanDerWaalsContact O-SG 3.41Å |
| 365 | A | 39.8 | Very low | 37.5 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -65.5 | 102.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P363 L367 | P363-A365 PolarHBondContact O-N 3.19Å; A365-L367 PolarHBondContact O-N 2.74Å | ||
| 366 | C | 34.5 | Very low | 37.5 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -73.6 | 77.1 | -176.6 | -67.5 | 0 | 0 | 0 | 0 | 111 | P364 L368 | P364-C366 PolarHBondContact O-N 2.75Å; P364-C366 PolarHBondContact O-SG 2.9Å; P364-C366 VanDerWaalsContact O-SG 3.41Å; C366-L368 PolarHBondContact O-N 3.03Å | ||
| 367 | L | 39.2 | Very low | 37.7 | Very low | 145 Ų | 145 | 123 Ų | 123 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -74.1 | 75 | 172.3 | -64.3 | 177.1 | 0 | 0 | 0 | 110 | A365 L369 | A365-L367 PolarHBondContact O-N 2.74Å; L367-L369 VanDerWaalsContact C-N 3.34Å; L367-L369 PolarHBondContact O-N 2.8Å | ||
| 368 | L | 39.5 | Very low | 37.8 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 90.5 | 173 | -175.1 | 62.7 | 0 | 0 | 0 | 109.6 | C366 H370 | C366-L368 PolarHBondContact O-N 3.03Å; L368-H370 PolarHBondContact O-N 2.96Å; L368-H370 VanDerWaalsContact O-N 3.14Å | ||
| 369 | L | 39.2 | Very low | 38.3 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 60% | 0.602 | 75% | 0.75 | S | S | * | * | trans | -73.5 | 102.1 | 178.2 | -164.5 | 76.2 | 0 | 0 | 0 | 109.7 | I273 L367 T371 | I273-L369 HydrophobicContact CD1-CD1 3.56Å; L367-L369 VanDerWaalsContact C-N 3.34Å; L367-L369 PolarHBondContact O-N 2.8Å; L369-T371 HydrophobicContact CD2-CG2 3.93Å; L369-T371 HydrophobicContact CG-CG2 4.15Å; L369-T371 PolarHBondContact O-N 2.92Å | ||
| 370 | H | 37.7 | Very low | 38.4 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | trans | -79.8 | 64.7 | -173.6 | -156.4 | -78 | 0 | 0 | 0 | 112.8 | L368 I372 | L368-H370 PolarHBondContact O-N 2.96Å; L368-H370 VanDerWaalsContact O-N 3.14Å; H370-I372 PolarHBondContact O-N 3.4Å | ||
| 371 | T | 41.2 | Very low | 38.2 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | trans | -68.1 | 119.7 | 173.7 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | L369 S373 | L369-T371 HydrophobicContact CD2-CG2 3.93Å; L369-T371 HydrophobicContact CG-CG2 4.15Å; L369-T371 PolarHBondContact O-N 2.92Å; T371-S373 PolarHBondContact O-N 3.1Å | ||
| 372 | I | 35.5 | Very low | 38.9 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -64.7 | 120.1 | 171 | -63.7 | 166.7 | 0 | 0 | 0 | 108.4 | H370 | H370-I372 PolarHBondContact O-N 3.4Š| ||
| 373 | S | 35.2 | Very low | 38.7 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -91.9 | 103.1 | 179.6 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | T371 Q375 | T371-S373 PolarHBondContact O-N 3.1Å; S373-Q375 PolarHBondContact O-N 3.44Å | ||
| 374 | E | 45.8 | Very low | 39.2 | Very low | 190 Ų | 190 | 127.6 Ų | 127.6 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -83.8 | 81.4 | 167.2 | -69.7 | -157 | 119.3 | 0 | 0 | 110.4 | ||||
| 375 | Q | 41.5 | Very low | 39.4 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -154.8 | 94.7 | 167.9 | -166 | 162 | 113.9 | 0 | 0 | 113.1 | S373 | S373-Q375 PolarHBondContact O-N 3.44Š| ||
| 376 | D | 34.4 | Very low | 39.7 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -150.2 | 145.8 | 119.8 | -145.2 | -33 | 0 | 0 | 0 | 110 | |||||
| 377 | G | 36.4 | Very low | 39.9 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -155.2 | 63.7 | -160.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A379 | G377-A379 PolarHBondContact O-N 3.49Š| ||
| 378 | A | 33.3 | Very low | 40 | Very low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -84.3 | 108 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 379 | A | 41.6 | Very low | 40 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | trans | -93.6 | 138.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G377 | G377-A379 PolarHBondContact O-N 3.49Š| ||
| 380 | H | 33.7 | Very low | 40 | Very low | 197 Ų | 197 | 136.8 Ų | 136.8 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | 164.5 | 164.8 | 119.1 | -86.7 | -70.4 | 0 | 0 | 0 | 112.1 | |||||
| 381 | S | 37 | Very low | 40.2 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | trans | -140.5 | -175.6 | -170.6 | -151.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 382 | P | 52 | Low | 40.1 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 62% | 0.623 | 84% | 0.844 | S | S | * | * | cis | -124 | 178.5 | -26.7 | 34.7 | -17.2 | 0 | 0 | 0 | 112.4 | ||||
| 383 | D | 35.2 | Very low | 40.5 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 85% | 0.849 | S | S | * | * | 162 | 154.3 | 111.1 | -102.2 | -22.8 | 0 | 0 | 0 | 113.8 | |||||
| 384 | P | 52 | Low | 40.9 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 73% | 0.734 | 86% | 0.859 | S | S | * | * | trans | -96.6 | 159.3 | 176.4 | 38.3 | -33.4 | 0 | 0 | 0 | 113.4 | ||||
| 385 | Q | 43.7 | Very low | 40.4 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 97% | 0.972 | 86% | 0.856 | S | S | * | * | trans | -155.2 | 133.4 | 170.5 | -153.7 | 166.4 | 108.8 | 0 | 0 | 110.4 | ||||
| 386 | G | 44.5 | Very low | 40.3 | Very low | 152 Ų | 152 | 130.7 Ų | 130.7 | 100% | 1.567 | 86% | 0.86 | S | S | * | * | trans | 150.9 | 0 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 386 of 386 residues in 94 ms
(Link to these results)