| 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 | W | 38.9 | Very low | 43.6 | Very low | 203 Ų | 203 | 151.1 Ų | 151.1 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | 0 | -44.3 | 0 | -165.3 | 72.5 | 0 | 0 | 0 | 112.6 | L3 R4 F5 | W1-L3 VanDerWaalsContact C-N 3.26Å; W1-L3 PolarHBondContact O-N 2.92Å; W1-L3 VanDerWaalsContact O-N 3.12Å; W1-R4 PolarHBondContact O-N 3.11Å; W1-F5 HydrophobicContact CZ2-CE2 4.12Å | |||
| 2 | L | 45.9 | Very low | 43.8 | Very low | 147 Ų | 147 | 154.6 Ų | 154.6 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -54 | -29.5 | 175.7 | -140.8 | 72.9 | 0 | 0 | 0 | 116.1 | ||
| 3 | L | 41.3 | Very low | 43.9 | Very low | 141 Ų | 141 | 157.2 Ų | 157.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -80.8 | -17.9 | 177.7 | -96.2 | 76.9 | 0 | 0 | 0 | 114.5 | W1 | W1-L3 VanDerWaalsContact C-N 3.26Å; W1-L3 PolarHBondContact O-N 2.92Å; W1-L3 VanDerWaalsContact O-N 3.12Å |
| 4 | R | 46.6 | Very low | 43.7 | Very low | 209 Ų | 209 | 159.1 Ų | 159.1 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -83.8 | -27.6 | 178.2 | -77.1 | -157.5 | -179.4 | 168.7 | 2.3 | 113 | W1 V7 S8 | W1-R4 PolarHBondContact O-N 3.11Å; R4-V7 PolarHBondContact O-N 3.08Å; R4-S8 VanDerWaalsContact O-CB 3.23Å; R4-S8 WeakPolarHBondContact O-CB 3.24Å; R4-S8 PolarHBondContact O-N 2.92Å |
| 5 | F | 45.1 | Very low | 43.7 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | H | α-helix | trans | -71.1 | -33.6 | 172 | -100.1 | -87.7 | 0 | 0 | 0 | 112.8 | W1 V7 S8 | W1-F5 HydrophobicContact CZ2-CE2 4.12Å; F5-V7 PolarHBondContact O-N 3.08Å; F5-S8 PolarHBondContact O-N 2.76Å |
| 6 | K | 45.6 | Very low | 43.8 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -17.6 | 175.1 | -162.3 | 153.6 | 72.2 | 166.7 | 0 | 113.9 | ||
| 7 | V | 40.5 | Very low | 44 | Very low | 111 Ų | 111 | 149.6 Ų | 149.6 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -22.9 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | R4 F5 T9 Q10 | R4-V7 PolarHBondContact O-N 3.08Å; F5-V7 PolarHBondContact O-N 3.08Å; V7-T9 VanDerWaalsContact C-N 3.3Å; V7-T9 PolarHBondContact O-N 3.1Å; V7-Q10 PolarHBondContact O-N 3.13Å |
| 8 | S | 35.7 | Very low | 44 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 5.1 | -176.8 | -160.5 | 0 | 0 | 0 | 0 | 115.1 | R4 F5 Q10 | R4-S8 VanDerWaalsContact O-CB 3.23Å; R4-S8 WeakPolarHBondContact O-CB 3.24Å; R4-S8 PolarHBondContact O-N 2.92Å; F5-S8 PolarHBondContact O-N 2.76Å; S8-Q10 VanDerWaalsContact C-N 3.33Å |
| 9 | T | 49.3 | Very low | 43.9 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -1.2 | 168 | 45.5 | 0 | 0 | 0 | 0 | 113 | V7 | V7-T9 VanDerWaalsContact C-N 3.3Å; V7-T9 PolarHBondContact O-N 3.1Å |
| 10 | Q | 48 | Very low | 43.8 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -124.2 | 30.3 | -173.5 | -125 | -171.8 | 33.3 | 0 | 0 | 115 | V7 S8 | V7-Q10 PolarHBondContact O-N 3.13Å; S8-Q10 VanDerWaalsContact C-N 3.33Å |
| 11 | N | 43.3 | Very low | 43.7 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -161.4 | 64.3 | 164.8 | -141.8 | -11.7 | 0 | 0 | 0 | 116.1 | ||||
| 12 | M | 45.1 | Very low | 44.1 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -114.3 | 77.7 | 157.3 | -78.2 | -177.4 | 147.7 | 0 | 0 | 108.7 | ||||
| 13 | K | 46.3 | Very low | 44.2 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | -103.7 | 85.5 | 168.1 | -177.9 | 76.3 | 172.2 | -165.8 | 0 | 108.2 | ||||
| 14 | M | 40.6 | Very low | 44.7 | Very low | 185 Ų | 185 | 141.4 Ų | 141.4 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -153.8 | 106.8 | 150.8 | -159 | 63.8 | 132.4 | 0 | 0 | 110.2 | ||
| 15 | G | 44.3 | Very low | 45.2 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 52.1 | 101 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 16 | G | 44.7 | Very low | 46 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 133.6 | 99.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 17 | L | 47.1 | Very low | 47.2 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 75.7 | 126.3 | 173.9 | -51.8 | 170.8 | 0 | 0 | 0 | 115.3 | R19 | L17-R19 PolarHBondContact O-N 3.44Å; L17-R19 VanDerWaalsContact O-N 3.08Å |
| 18 | P | 43.9 | Very low | 49 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | -64.7 | 116 | 175.8 | 27.6 | -31.4 | 0 | 0 | 0 | 108.3 | T20 | P18-T20 PolarHBondContact O-N 3.08Š| ||
| 19 | R | 42.6 | Very low | 51.5 | Low | 239 Ų | 239 | 130.7 Ų | 130.7 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -45.5 | 116.7 | 160 | -84.8 | 171.8 | 67 | 114.6 | -3.1 | 106.1 | L17 | L17-R19 PolarHBondContact O-N 3.44Å; L17-R19 VanDerWaalsContact O-N 3.08Å | ||
| 20 | T | 42 | Very low | 53.2 | Low | 122 Ų | 122 | 126.8 Ų | 126.8 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | -54.1 | 148.2 | -178.8 | 68.3 | 0 | 0 | 0 | 0 | 107.7 | P18 | P18-T20 PolarHBondContact O-N 3.08Š| ||
| 21 | T | 40.7 | Very low | 54.9 | Low | 104 Ų | 104 | 120.3 Ų | 120.3 | 64% | 0.638 | 68% | 0.679 | S | S | * | * | trans | -30 | 143.5 | 165.9 | 45.8 | 0 | 0 | 0 | 0 | 112 | P23 | T21-P23 VanDerWaalsContact O-N 3.16Š| ||
| 22 | P | 48.5 | Very low | 56.7 | Low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -46.5 | 132.3 | 170.7 | 24.1 | -33.7 | 0 | 0 | 0 | 106.6 | T24 | P22-T24 VanDerWaalsContact C-N 3.29Å; P22-T24 PolarHBondContact O-N 3.41Å; P22-T24 PolarHBondContact O-OG1 2.94Å |
| 23 | P | 47.6 | Very low | 57.8 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | trans | -60.2 | 102.3 | -172.3 | 24.6 | -31.5 | 0 | 0 | 0 | 106.9 | T21 Q25 | T21-P23 VanDerWaalsContact O-N 3.16Å; P23-Q25 HydrophobicContact CB-CB 4.1Å; P23-Q25 PolarHBondContact O-N 3.35Å | ||
| 24 | T | 50.8 | Low | 58.4 | Low | 136 Ų | 136 | 109.3 Ų | 109.3 | 83% | 0.834 | 65% | 0.648 | S | S | * | * | trans | -68.9 | 15 | 163.1 | -12 | 0 | 0 | 0 | 0 | 110 | P22 K26 | P22-T24 VanDerWaalsContact C-N 3.29Å; P22-T24 PolarHBondContact O-N 3.41Å; P22-T24 PolarHBondContact O-OG1 2.94Å; T24-K26 PolarHBondContact O-N 3.46Å | ||
| 25 | Q | 57.5 | Low | 58.9 | Low | 141 Ų | 141 | 109.5 Ų | 109.5 | 66% | 0.659 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -73.8 | 113.9 | 174.9 | -156 | 173.6 | 69.9 | 0 | 0 | 105.8 | P23 | P23-Q25 HydrophobicContact CB-CB 4.1Å; P23-Q25 PolarHBondContact O-N 3.35Å |
| 26 | K | 63.3 | Low | 59 | Low | 170 Ų | 170 | 108.8 Ų | 108.8 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | trans | -44.6 | 130.1 | 171.3 | -179.5 | -178.2 | 179.2 | -174 | 0 | 108.2 | T24 | T24-K26 PolarHBondContact O-N 3.46Š| ||
| 27 | P | 69.1 | Low | 59.2 | Low | 50 Ų | 50 | 111.5 Ų | 111.5 | 33% | 0.325 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 138.8 | -178.5 | 21.6 | -32.6 | 0 | 0 | 0 | 109.6 | S29 Y284 Y328 | P27-S29 PolarHBondContact O-N 3.38Å; P27-Y284 HydrophobicContact CB-CD1 4.07Å; P27-Y284 HydrophobicContact CB-CD2 4.41Å; P27-Y284 HydrophobicContact CB-CG 3.92Å; P27-Y328 HydrophobicContact CB-CE1 3.85Å; P27-Y328 HydrophobicContact CG-CE1 4.49Å |
| 28 | P | 79.6 | Confident | 59.1 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 35% | 0.351 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 133.9 | 178.4 | 23.1 | -32.5 | 0 | 0 | 0 | 109.3 | Y284 N327 Y328 | P28-Y284 HydrophobicContact CG-CD2 4.46Å; P28-Y284 HydrophobicContact CG-CE2 4.08Å; P28-N327 WeakPolarHBondContact CG-ND2 3.48Å; P28-N327 PolarHBondContact O-ND2 3.1Å; P28-Y328 WeakPolarHBondContact O-CE2 2.95Å; P28-Y328 PolarHBondContact O-OH 3.03Å |
| 29 | S | 86.9 | Confident | 58.9 | Low | 90 Ų | 90 | 109.1 Ų | 109.1 | 63% | 0.629 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 140.1 | -178.3 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | P27 | P27-S29 PolarHBondContact O-N 3.38Š|
| 30 | P | 85.8 | Confident | 59.1 | Low | 43 Ų | 43 | 103.6 Ų | 103.6 | 28% | 0.279 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 151 | 177.2 | 28.7 | -35.7 | 0 | 0 | 0 | 110 | M32 Y286 W312 P325 Y328 | P30-M32 PolarHBondContact O-N 3.12Å; P30-Y286 HydrophobicContact CB-CE2 4.31Å; P30-Y286 HydrophobicContact CG-CE2 4.24Å; P30-W312 HydrophobicContact CB-CH2 4.46Å; P30-W312 HydrophobicContact CB-CZ2 4.11Å; P30-P325 HydrophobicContact CB-CB 3.56Å; P30-P325 HydrophobicContact CB-CG 3.89Å; P30-Y328 HydrophobicContact CB-CE2 4.22Å; P30-Y328 WeakPolarHBondContact CD-OH 3.3Å |
| 31 | P | 83.1 | Confident | 59 | Low | 39 Ų | 39 | 102.9 Ų | 102.9 | 25% | 0.253 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 141.5 | 171.1 | 18.4 | -26.6 | 0 | 0 | 0 | 110.3 | S33 D310 W312 N327 | P31-S33 PolarHBondContact O-N 3.4Å; P31-D310 VanDerWaalsContact CB-O 3.3Å; P31-D310 WeakPolarHBondContact CB-O 3.23Å; P31-W312 HydrophobicContact CG-CG 4.49Å; P31-W312 WeakPolarHBondContact O-CZ2 3.28Å; P31-W312 PolarHBondContact O-NE1 3.04Å; P31-N327 WeakPolarHBondContact CD-OD1 3.3Å |
| 32 | M | 81.8 | Confident | 59.2 | Low | 181 Ų | 181 | 102 Ų | 102 | 89% | 0.892 | 65% | 0.645 | S | S | * | * | trans | -68.3 | 116 | 173.4 | -71.7 | -77.7 | 176.3 | 0 | 0 | 108.1 | P30 G34 | P30-M32 PolarHBondContact O-N 3.12Å; M32-G34 PolarHBondContact O-N 3.06Å | ||
| 33 | S | 67.2 | Low | 58.8 | Low | 45 Ų | 45 | 102 Ų | 102 | 32% | 0.315 | 65% | 0.648 | S | S | . | * | trans | -56.9 | 112.6 | 174.2 | -38.7 | 0 | 0 | 0 | 0 | 108.3 | P31 K35 K290 W312 | P31-S33 PolarHBondContact O-N 3.4Å; S33-K35 PolarHBondContact O-N 2.82Å; S33-K290 PolarHBondContact OG-NZ 3.21Å; S33-W312 VanDerWaalsContact OG-CE2 3.25Å; S33-W312 WeakPolarHBondContact OG-CZ2 3.33Å; S33-W312 PolarHBondContact OG-NE1 3.33Å | ||
| 34 | G | 59.8 | Low | 59 | Low | 65 Ų | 65 | 103.7 Ų | 103.7 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | trans | -63.5 | 103.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M32 G36 | M32-G34 PolarHBondContact O-N 3.06Å; G34-G36 PolarHBondContact O-N 2.86Å | ||
| 35 | K | 50.9 | Low | 58.5 | Low | 188 Ų | 188 | 100.7 Ų | 100.7 | 82% | 0.817 | 66% | 0.658 | S | S | * | * | trans | -71.6 | 82.5 | 166.4 | -170.9 | 111.2 | 74.1 | -172.8 | 0 | 108.7 | S33 T37 | S33-K35 PolarHBondContact O-N 2.82Å; K35-T37 PolarHBondContact O-N 2.71Å | ||
| 36 | G | 47.1 | Very low | 58 | Low | 66 Ų | 66 | 97.6 Ų | 97.6 | 68% | 0.68 | 66% | 0.664 | S | S | * | * | trans | -65.9 | 84.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G34 L38 | G34-G36 PolarHBondContact O-N 2.86Å; G36-L38 PolarHBondContact O-N 2.71Å | ||
| 37 | T | 47.4 | Very low | 56.9 | Low | 127 Ų | 127 | 93.8 Ų | 93.8 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | trans | -78.1 | 68.3 | 162.3 | -26.7 | 0 | 0 | 0 | 0 | 107.3 | K35 G39 | K35-T37 PolarHBondContact O-N 2.71Å; T37-G39 VanDerWaalsContact C-N 3.3Å; T37-G39 PolarHBondContact O-N 2.81Å; T37-G39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | L | 46.4 | Very low | 55.6 | Low | 167 Ų | 167 | 98.6 Ų | 98.6 | 87% | 0.874 | 68% | 0.676 | S | S | * | * | trans | -81.9 | 88.2 | 166.8 | -79.9 | 167.8 | 0 | 0 | 0 | 107.1 | G36 S40 | G36-L38 PolarHBondContact O-N 2.71Å; L38-S40 PolarHBondContact O-N 2.79Å | ||
| 39 | G | 39.5 | Very low | 54 | Low | 65 Ų | 65 | 101.9 Ų | 101.9 | 67% | 0.67 | 70% | 0.698 | S | S | * | * | trans | -55.1 | 130.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T37 S41 | T37-G39 VanDerWaalsContact C-N 3.3Å; T37-G39 PolarHBondContact O-N 2.81Å; T37-G39 VanDerWaalsContact O-N 3.15Å; G39-S41 PolarHBondContact O-N 3.2Å; G39-S41 VanDerWaalsContact O-N 3.07Å | ||
| 40 | S | 47.1 | Very low | 51.7 | Low | 123 Ų | 123 | 102.9 Ų | 102.9 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -58.9 | 106.6 | 160.3 | -168.1 | 0 | 0 | 0 | 0 | 108.2 | L38 | L38-S40 PolarHBondContact O-N 2.79Š|
| 41 | S | 39.7 | Very low | 49.7 | Very low | 108 Ų | 108 | 105.8 Ų | 105.8 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -174.7 | 94.3 | 157.5 | -78.1 | 0 | 0 | 0 | 0 | 108.7 | G39 S43 | G39-S41 PolarHBondContact O-N 3.2Å; G39-S41 VanDerWaalsContact O-N 3.07Å; S41-S43 PolarHBondContact O-N 3.03Å; S41-S43 VanDerWaalsContact O-N 3.08Å | ||
| 42 | G | 43.8 | Very low | 47.7 | Very low | 84 Ų | 84 | 115.9 Ų | 115.9 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -62.4 | 106.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 43 | S | 41.5 | Very low | 45.8 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -151.8 | 119 | 157.7 | -88.8 | 0 | 0 | 0 | 0 | 109.7 | S41 | S41-S43 PolarHBondContact O-N 3.03Å; S41-S43 VanDerWaalsContact O-N 3.08Å | ||
| 44 | S | 50.5 | Low | 44.7 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -30.1 | 133.6 | 167.1 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 45 | G | 40 | Very low | 44 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 164.1 | 82.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | G | 47.8 | Very low | 44.1 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | -60.3 | 137.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 47 | S | 40.8 | Very low | 43.7 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -176.3 | 98.7 | 164.6 | -90.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 48 | H | 40 | Very low | 43.3 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 41.9 | 112.8 | 143.8 | 41.3 | -115.9 | 0 | 0 | 0 | 120.1 | S50 | H48-S50 PolarHBondContact O-N 2.95Š| ||
| 49 | P | 47.1 | Very low | 43.1 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 109.8 | 157.7 | 30.1 | -30 | 0 | 0 | 0 | 109.1 | S51 | P49-S51 PolarHBondContact O-N 2.85Š| ||
| 50 | S | 39.2 | Very low | 43.5 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 102.4 | 161.9 | -66.4 | 0 | 0 | 0 | 0 | 108 | H48 R52 | H48-S50 PolarHBondContact O-N 2.95Å; S50-R52 PolarHBondContact O-N 3.15Å | ||
| 51 | S | 42.6 | Very low | 43.5 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -57.6 | 98.5 | 168.2 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | P49 S53 | P49-S51 PolarHBondContact O-N 2.85Å; S51-S53 PolarHBondContact O-N 3.19Å | ||
| 52 | R | 41.7 | Very low | 44 | Very low | 251 Ų | 251 | 122.3 Ų | 122.3 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -73 | 86 | 161.4 | -112 | -178.7 | 158 | -169.3 | -5.1 | 107.1 | S50 S54 | S50-R52 PolarHBondContact O-N 3.15Å; R52-S54 PolarHBondContact O-N 2.72Å; R52-S54 VanDerWaalsContact O-N 3.1Å | ||
| 53 | S | 42.1 | Very low | 44.3 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -60.4 | 107.3 | 168.2 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | S51 S55 | S51-S53 PolarHBondContact O-N 3.19Å; S53-S55 PolarHBondContact O-N 3.05Å | ||
| 54 | S | 42.9 | Very low | 44.7 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -67.6 | 87.4 | 159.4 | 49.6 | 0 | 0 | 0 | 0 | 107.9 | R52 R56 | R52-S54 PolarHBondContact O-N 2.72Å; R52-S54 VanDerWaalsContact O-N 3.1Å; S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R56 PolarHBondContact O-N 3.09Å | ||
| 55 | S | 46.3 | Very low | 44.7 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -67.1 | 95.3 | 167.9 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | S53 | S53-S55 PolarHBondContact O-N 3.05Š| ||
| 56 | R | 52 | Low | 45.2 | Very low | 226 Ų | 226 | 125.5 Ų | 125.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -137.2 | 90 | 158.5 | -85.7 | -172.1 | 166.2 | -145 | -2.1 | 106.1 | S54 | S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R56 PolarHBondContact O-N 3.09Å | ||
| 57 | E | 39.2 | Very low | 45.2 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | 170.1 | 147.6 | 129.9 | 55.7 | -162.4 | 74.9 | 0 | 0 | 112 | |||||
| 58 | N | 39.6 | Very low | 45.5 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | 81.1 | 85.4 | 153.9 | -151.5 | 7.4 | 0 | 0 | 0 | 118.5 | G60 | N58-G60 PolarHBondContact OD1-N 2.99Š| ||
| 59 | S | 42.2 | Very low | 45.8 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -113.7 | 92.8 | 140.3 | -70.3 | 0 | 0 | 0 | 0 | 108.1 | S61 | S59-S61 PolarHBondContact O-N 3.34Š| ||
| 60 | G | 46.6 | Very low | 45.7 | Very low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -60.9 | 113.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109 | N58 | N58-G60 PolarHBondContact OD1-N 2.99Š| ||
| 61 | S | 48.4 | Very low | 46.1 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -126.8 | 111.9 | 157.3 | -103 | 0 | 0 | 0 | 0 | 107.4 | S59 S63 | S59-S61 PolarHBondContact O-N 3.34Å; S61-S63 PolarHBondContact O-N 2.92Å | ||
| 62 | G | 50.3 | Low | 46.8 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -58.4 | 133.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 63 | S | 49.7 | Very low | 47.3 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -148.8 | 133.4 | 164.6 | -66.8 | 0 | 0 | 0 | 0 | 107.8 | S61 | S61-S63 PolarHBondContact O-N 2.92Š| ||
| 64 | V | 50.3 | Low | 48 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 147.6 | -170.3 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 65 | G | 50.3 | Low | 48.7 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -67.5 | 154.9 | -162.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 66 | V | 50.7 | Low | 48.9 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -143.7 | 125.5 | 153.9 | -175.6 | 0 | 0 | 0 | 0 | 105.9 | I68 | V66-I68 PolarHBondContact O-N 3.44Š| ||
| 67 | P | 47.8 | Very low | 48.6 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -69.6 | 114.2 | 174.6 | 27.4 | -31.4 | 0 | 0 | 0 | 109.4 | A69 | P67-A69 PolarHBondContact O-N 3.4Š| ||
| 68 | I | 46.8 | Very low | 49.1 | Very low | 161 Ų | 161 | 117 Ų | 117 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 116.1 | 167.8 | -62.2 | -179.7 | 0 | 0 | 0 | 107 | V66 V70 | V66-I68 PolarHBondContact O-N 3.44Å; I68-V70 PolarHBondContact O-N 3.11Å |
| 69 | A | 46.1 | Very low | 49.4 | Very low | 88 Ų | 88 | 119.2 Ų | 119.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P67 | P67-A69 PolarHBondContact O-N 3.4Š|
| 70 | V | 44.4 | Very low | 49.8 | Very low | 132 Ų | 132 | 118.7 Ų | 118.7 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.6 | 169.3 | -134.5 | 0 | 0 | 0 | 0 | 108 | I68 T72 | I68-V70 PolarHBondContact O-N 3.11Å; V70-T72 PolarHBondContact O-N 2.97Å; V70-T72 VanDerWaalsContact O-N 3.07Å |
| 71 | P | 48.2 | Very low | 49.5 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 109.7 | 170.6 | -13.9 | 27.5 | 0 | 0 | 0 | 109 | ||||
| 72 | T | 56.9 | Low | 49.5 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125.7 | 167.6 | 11.4 | 0 | 0 | 0 | 0 | 109.8 | V70 S74 | V70-T72 PolarHBondContact O-N 2.97Å; V70-T72 VanDerWaalsContact O-N 3.07Å; T72-S74 PolarHBondContact O-N 3.44Å |
| 73 | P | 52.8 | Low | 49 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 130.8 | 170.3 | 27.4 | -31.7 | 0 | 0 | 0 | 110.1 | ||
| 74 | S | 57.5 | Low | 48.3 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139.7 | 179.4 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | T72 | T72-S74 PolarHBondContact O-N 3.44Š|
| 75 | P | 56.8 | Low | 47.8 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 153.4 | 171.1 | 30.4 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 76 | P | 50.3 | Low | 47.2 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.8 | 179.1 | 28.2 | -33.2 | 0 | 0 | 0 | 111.6 | V78 | P76-V78 PolarHBondContact O-N 2.54Š|
| 77 | S | 45.5 | Very low | 46.4 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -65.7 | 109.7 | 173.4 | -70.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 78 | V | 49.7 | Very low | 46.3 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -114.1 | 110.8 | 158.4 | 174.7 | 0 | 0 | 0 | 0 | 106.8 | P76 | P76-V78 PolarHBondContact O-N 2.54Š| ||
| 79 | F | 47 | Very low | 46.9 | Very low | 189 Ų | 189 | 117.3 Ų | 117.3 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -108.3 | 135.4 | 167.2 | -94.9 | -83 | 0 | 0 | 0 | 110 | ||||
| 80 | P | 50.6 | Low | 47.3 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -84.1 | 146.3 | 174.4 | 33.3 | -31.4 | 0 | 0 | 0 | 111.5 | ||||
| 81 | A | 39.6 | Very low | 47.2 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -73 | 149.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 82 | P | 48.3 | Very low | 47.3 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -105.1 | 142.8 | 159 | 34 | -24.3 | 0 | 0 | 0 | 112.2 | ||||
| 83 | A | 40.2 | Very low | 46.2 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -95.8 | 154.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 84 | G | 35.4 | Very low | 45.5 | Very low | 73 Ų | 73 | 118 Ų | 118 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 170.8 | 96.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 85 | S | 39.3 | Very low | 44.5 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | 85.2 | 110 | 73.4 | -90.2 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 86 | A | 38.1 | Very low | 43.5 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | 156.2 | 101.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | G | 33.2 | Very low | 42.7 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | 92.8 | 126.6 | 87 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 88 | T | 45 | Very low | 42.5 | Very low | 144 Ų | 144 | 116.5 Ų | 116.5 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | cis | -169.9 | 174.3 | 16.6 | 9.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 89 | P | 60.6 | Low | 42.3 | Very low | 112 Ų | 112 | 116.1 Ų | 116.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -106.2 | -170.6 | -149.3 | 48.2 | -41.5 | 0 | 0 | 0 | 113.9 | ||||
| 90 | P | 54.7 | Low | 41.9 | Very low | 128 Ų | 128 | 113 Ų | 113 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | -142.9 | 164.2 | 66.3 | 32.8 | -9.8 | 0 | 0 | 0 | 117.8 | |||||
| 91 | L | 40.7 | Very low | 42.5 | Very low | 158 Ų | 158 | 112.5 Ų | 112.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | -65.5 | 172.4 | 167.4 | -86 | 164.7 | 0 | 0 | 0 | 112.8 | ||||
| 92 | P | 50.3 | Low | 42.1 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | cis | -146.9 | 163.4 | 42.5 | 40.1 | -18.1 | 0 | 0 | 0 | 120.4 | ||||
| 93 | A | 35.2 | Very low | 41.7 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | trans | 42.4 | 133.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 94 | T | 38 | Very low | 42.1 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | cis | -164.6 | 146.1 | 49.6 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 95 | S | 36.1 | Very low | 42.1 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -0.8 | 158 | 132.7 | -61.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 96 | A | 35.3 | Very low | 41.7 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | cis | 172.1 | 172.6 | -8.5 | 0 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 97 | S | 33 | Very low | 41.5 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 83.9 | 113.6 | 149.4 | -55 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 98 | V | 43.2 | Very low | 42.2 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -20.2 | 148.7 | 136.2 | -166.2 | 0 | 0 | 0 | 0 | 113.8 | T100 | V98-T100 HydrophobicContact CG1-CG2 4.41Š| ||
| 99 | P | 44.5 | Very low | 41.7 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | -136.1 | 153.6 | 118.6 | 30.4 | -14.4 | 0 | 0 | 0 | 114.7 | |||||
| 100 | T | 38.2 | Very low | 40.5 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -79.5 | -151.7 | 174.2 | 39.1 | 0 | 0 | 0 | 0 | 112.2 | V98 | V98-T100 HydrophobicContact CG1-CG2 4.41Š| ||
| 101 | P | 64.4 | Low | 39.4 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | -112.3 | -170.6 | -102.7 | 36.3 | -15.7 | 0 | 0 | 0 | 113.1 | |||||
| 102 | L | 31.3 | Very low | 39.2 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | 152.7 | 136 | 135.8 | -82 | 151.9 | 0 | 0 | 0 | 114.6 | ||||
| 103 | V | 38.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 163.9 | 157.7 | -67.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 104 | P | 49.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | -157.7 | 167.8 | 63.2 | 38.8 | -14.4 | 0 | 0 | 0 | 120.6 | |||||
| 105 | A | 34.1 | Very low | 39 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 63 | 134.3 | 142 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 106 | T | 31.8 | Very low | 38.7 | Very low | 138 Ų | 138 | 116.3 Ų | 116.3 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | 167.1 | 136.3 | 112.1 | -68.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 107 | V | 34.4 | Very low | 38.6 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -93.3 | 165.1 | 169.4 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 108 | P | 46.4 | Very low | 38.3 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | -153.8 | 174.1 | 83.3 | 37.5 | -15.3 | 0 | 0 | 0 | 117.4 | |||||
| 109 | S | 35 | Very low | 37.6 | Very low | 113 Ų | 113 | 114.4 Ų | 114.4 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -76 | 161.5 | -175.8 | -39.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 110 | S | 34.9 | Very low | 37.1 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | 165.8 | 156.7 | 133 | -89.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 111 | T | 32.9 | Very low | 37 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | -179.9 | 147.3 | -17.2 | -79.4 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 112 | A | 37 | Very low | 35.5 | Very low | 82 Ų | 82 | 115.7 Ų | 115.7 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -63.2 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 113 | P | 51.7 | Low | 35.7 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | -139.8 | 142.4 | 94.5 | 29.8 | -11.6 | 0 | 0 | 0 | 112.2 | |||||
| 114 | D | 32.2 | Very low | 35.5 | Very low | 154 Ų | 154 | 112.8 Ų | 112.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | 82.2 | 140.3 | 67.9 | -158.7 | -103.8 | 0 | 0 | 0 | 115.7 | |||||
| 115 | A | 33.8 | Very low | 34.8 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | 93.8 | 141.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 116 | A | 31.4 | Very low | 34.7 | Very low | 89 Ų | 89 | 114 Ų | 114 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | cis | 175.2 | 152.8 | -31.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 117 | A | 31.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 69.6 | 111.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 118 | G | 27.7 | Very low | 34.7 | Very low | 86 Ų | 86 | 115.8 Ų | 115.8 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | 84 | 135.4 | 101.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 119 | G | 28 | Very low | 34.4 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | 134.5 | 124.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 120 | A | 34.6 | Very low | 35 | Very low | 96 Ų | 96 | 114.9 Ų | 114.9 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | trans | -78.2 | -172.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 121 | Q | 35 | Very low | 35.1 | Very low | 194 Ų | 194 | 115.3 Ų | 115.3 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | 104.5 | 146.5 | 162.1 | -47.5 | -137.1 | -50.7 | 0 | 0 | 114.4 | ||||
| 122 | S | 33.3 | Very low | 36.2 | Very low | 86 Ų | 86 | 114.3 Ų | 114.3 | 60% | 0.601 | 77% | 0.768 | S | S | * | * | cis | 166.1 | 143.3 | -20.1 | 175.8 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 123 | L | 35.6 | Very low | 36.7 | Very low | 155 Ų | 155 | 116.4 Ų | 116.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 67.2 | 113.3 | 160.8 | -64.6 | 146.6 | 0 | 0 | 0 | 116.9 | ||||
| 124 | A | 35.1 | Very low | 35.9 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 63% | 0.628 | 77% | 0.773 | S | S | * | * | 93.2 | 138 | 69.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 125 | D | 33.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 116.8 Ų | 116.8 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | 95.2 | 126.4 | 155.1 | -59.1 | -59 | 0 | 0 | 0 | 121.7 | ||||
| 126 | G | 31.9 | Very low | 35.9 | Very low | 71 Ų | 71 | 117.7 Ų | 117.7 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 120 | 70.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 127 | F | 32.4 | Very low | 35.9 | Very low | 192 Ų | 192 | 119.1 Ų | 119.1 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | 80.9 | 132.6 | 91.6 | -159.2 | -105.3 | 0 | 0 | 0 | 115.8 | |||||
| 128 | T | 35 | Very low | 36.1 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | 84.9 | 106.7 | 160.9 | 10.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 129 | S | 39.7 | Very low | 37.3 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 151.4 | 144 | -165.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 130 | P | 48 | Very low | 38 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | -151.4 | 156.4 | 86.6 | 35.8 | -15 | 0 | 0 | 0 | 116.7 | |||||
| 131 | T | 36.4 | Very low | 38.1 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -75.2 | 173.8 | 161.4 | -48.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 132 | P | 57.3 | Low | 37.9 | Very low | 106 Ų | 106 | 120.3 Ų | 120.3 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | cis | -122.1 | -162.4 | -34.9 | 32.9 | -11.5 | 0 | 0 | 0 | 112.2 | ||||
| 133 | P | 46.3 | Very low | 38.4 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -145.1 | 164.6 | 90.3 | 36.6 | -18.1 | 0 | 0 | 0 | 116.7 | |||||
| 134 | V | 35.9 | Very low | 39 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | -89.4 | 151.8 | 172 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 135 | I | 31.5 | Very low | 39.2 | Very low | 160 Ų | 160 | 125.7 Ų | 125.7 | 82% | 0.821 | 78% | 0.775 | S | S | * | * | trans | 174.5 | 104.1 | 142.8 | -86.6 | 152.2 | 0 | 0 | 0 | 107.1 | ||||
| 136 | S | 32.6 | Very low | 39.9 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | 69.7 | 110.9 | 94.6 | -172.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 137 | S | 33.4 | Very low | 40.4 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -173.3 | 125.5 | 141.2 | 24.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 138 | N | 35.3 | Very low | 40.9 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -124.8 | 170.8 | 162.8 | -111.9 | 43.9 | 0 | 0 | 0 | 106.1 | ||||
| 139 | P | 53.5 | Low | 41.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -128.1 | -165.7 | -28.6 | 42.7 | -24.6 | 0 | 0 | 0 | 109.7 | ||||
| 140 | P | 42.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | -155.6 | 162.3 | 70 | 42.8 | -20.6 | 0 | 0 | 0 | 118 | |||||
| 141 | T | 35.5 | Very low | 41.2 | Very low | 139 Ų | 139 | 137 Ų | 137 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 48.8 | 125.2 | 140.9 | 50.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 142 | G | 31.8 | Very low | 41.8 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 157.4 | 90.1 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 143 | H | 44.1 | Very low | 41.4 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -84.9 | 172.6 | 171.8 | -91.3 | -73.7 | 0 | 0 | 0 | 112 | ||||
| 144 | P | 47.7 | Very low | 41.3 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -96.3 | 163.1 | -132.1 | 38.6 | -38.3 | 0 | 0 | 0 | 115.9 | ||||
| 145 | V | 40.3 | Very low | 41.4 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -93 | 110 | 168.5 | -163.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 146 | Q | 46.4 | Very low | 41.8 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 130.1 | 168 | -73.4 | -79 | -38.1 | 0 | 0 | 108.4 | ||
| 147 | F | 43.2 | Very low | 42.1 | Very low | 203 Ų | 203 | 145.2 Ų | 145.2 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 128.9 | 170.8 | -97.6 | -93.9 | 0 | 0 | 0 | 110.5 | ||
| 148 | Y | 42 | Very low | 42.6 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 139.1 | 173.2 | -68.1 | -89.6 | 0 | 0 | 0 | 111.2 | ||
| 149 | S | 40 | Very low | 43.6 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -153.9 | 92 | 143.3 | -94.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 150 | M | 49.5 | Very low | 43.3 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | 66.3 | 87.7 | 92.2 | -127.4 | 77.4 | 82 | 0 | 0 | 112.9 | |||||
| 151 | N | 40 | Very low | 43.2 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -161.5 | 102.9 | 132 | -98.9 | 11.7 | 0 | 0 | 0 | 109.7 | ||||
| 152 | R | 50.1 | Low | 43.3 | Very low | 229 Ų | 229 | 145.8 Ų | 145.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -81 | 170.7 | 163.7 | -90.8 | -177.7 | -178.8 | -158 | 2.1 | 109.2 | ||||
| 153 | P | 48.2 | Very low | 43.5 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -133.9 | 136.9 | 27.5 | 32.3 | -10.7 | 0 | 0 | 0 | 115.3 | ||||
| 154 | A | 43 | Very low | 43.3 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | 63.3 | 107.6 | 80 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 155 | S | 39.4 | Very low | 43 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | -133.6 | 111.3 | 151 | 60.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 156 | R | 38.9 | Very low | 43.4 | Very low | 210 Ų | 210 | 142 Ų | 142 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -140.6 | 119.1 | 168.5 | -158.8 | -171.6 | -176 | -133 | 5.8 | 108.1 | ||||
| 157 | H | 39.2 | Very low | 43.8 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 68% | 0.676 | 79% | 0.791 | S | S | * | * | 158.8 | 135.3 | 123.1 | -100.7 | -81.2 | 0 | 0 | 0 | 113.1 | |||||
| 158 | T | 44.5 | Very low | 43.6 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -97.1 | 175.5 | 153.2 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 159 | P | 55 | Low | 43.7 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -113.6 | -172.2 | -78.4 | 39 | -22 | 0 | 0 | 0 | 111.5 | |||||
| 160 | P | 48.8 | Very low | 43.9 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -153.9 | 161.9 | 87.5 | 36.5 | -14.5 | 0 | 0 | 0 | 118.8 | |||||
| 161 | T | 39.8 | Very low | 43.6 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 32.1 | 131.1 | 145.8 | -43.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 162 | I | 38.3 | Very low | 43.8 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | 144 | 118.7 | 124.8 | -67.4 | -179.8 | 0 | 0 | 0 | 113.1 | |||||
| 163 | G | 35.6 | Very low | 43.1 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 28.9 | 125.1 | 140 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 164 | G | 38.4 | Very low | 42.6 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -176.9 | 132.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 165 | S | 42.5 | Very low | 42.2 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -109.1 | 152 | -155.7 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 166 | L | 48.5 | Very low | 42.1 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | 78.6 | 168.5 | 150.5 | -64.6 | 166.8 | 0 | 0 | 0 | 119.3 | ||||
| 167 | P | 55.7 | Low | 41.9 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 78% | 0.777 | S | S | * | * | cis | -136.4 | 159.4 | -39.1 | 33.7 | -17.6 | 0 | 0 | 0 | 113 | ||||
| 168 | Y | 37.8 | Very low | 41.8 | Very low | 223 Ų | 223 | 135.6 Ų | 135.6 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | 177.7 | 97.2 | 142.7 | -94.3 | -70.8 | 0 | 0 | 0 | 107.1 | ||||
| 169 | R | 45.2 | Very low | 41.2 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | 54.6 | 130.3 | 103.5 | -84.4 | -88.9 | -155.2 | -106.4 | 1.2 | 113.2 | |||||
| 170 | R | 42.9 | Very low | 40.4 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 75% | 0.751 | 79% | 0.792 | S | S | * | * | cis | -178.1 | 178.1 | -0.3 | -129 | -166.3 | -179.7 | 166.6 | -1.7 | 104.3 | ||||
| 171 | P | 43.3 | Very low | 39.7 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -134.3 | 171.6 | 5.8 | 39.2 | -19.2 | 0 | 0 | 0 | 116.6 | ||||
| 172 | P | 44.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -99.4 | 155.7 | 172.7 | 37.9 | -29.4 | 0 | 0 | 0 | 113 | ||||
| 173 | S | 35.6 | Very low | 39.7 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 135.6 | 162.2 | -59.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 174 | I | 38.2 | Very low | 39.7 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | cis | -158.8 | 143.5 | 12.7 | -177.9 | 164.5 | 0 | 0 | 0 | 106.8 | ||||
| 175 | T | 33.7 | Very low | 39.5 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 137.2 | 171.5 | -79.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 176 | S | 37.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -140.2 | 91.3 | 142.6 | 55.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 177 | Q | 35.4 | Very low | 38.6 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -78.8 | 133.4 | 156 | -83.8 | -171.2 | -30.9 | 0 | 0 | 108.1 | ||||
| 178 | T | 35.6 | Very low | 38.3 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | trans | -152.6 | 113 | 144.9 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 179 | S | 33 | Very low | 38.2 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 74.6 | 111.5 | 146.1 | -53.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 180 | L | 37.6 | Very low | 38 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | -58.1 | 137.7 | 153.3 | -67 | 157.9 | 0 | 0 | 0 | 111.4 | ||||
| 181 | Q | 34.7 | Very low | 37.4 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -151.8 | 106.6 | 144.5 | -160.2 | 94.5 | 1 | 0 | 0 | 108.8 | Q183 | Q181-Q183 PolarHBondContact O-N 3.38Š| ||
| 182 | N | 38.6 | Very low | 37.1 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -62 | 123.6 | 161.4 | -101.4 | -1.2 | 0 | 0 | 0 | 108.5 | ||||
| 183 | Q | 38.9 | Very low | 36.9 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -142.2 | 143.8 | 154.5 | -77.5 | -59 | -17.2 | 0 | 0 | 110.4 | Q181 | Q181-Q183 PolarHBondContact O-N 3.38Š| ||
| 184 | M | 36.5 | Very low | 37.5 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 73% | 0.729 | 80% | 0.8 | S | S | * | * | trans | -73.8 | 162.9 | -167.8 | 53.5 | 73.3 | 156.9 | 0 | 0 | 115 | ||||
| 185 | N | 33.3 | Very low | 37.8 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 34.2 | 127.6 | 150.2 | -77.1 | 52.5 | 0 | 0 | 0 | 121.3 | ||||
| 186 | G | 34.7 | Very low | 38.3 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 138.7 | 113.5 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 187 | G | 38.5 | Very low | 39.1 | Very low | 64 Ų | 64 | 146 Ų | 146 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | trans | 80.7 | 147 | 135 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 188 | P | 47.8 | Very low | 39.9 | Very low | 131 Ų | 131 | 142 Ų | 142 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -89.3 | 137.8 | -166.6 | 35.8 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 189 | F | 36.4 | Very low | 41 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -106 | 114.9 | 172.1 | -70.1 | -81.5 | 0 | 0 | 0 | 110.8 | ||||
| 190 | Y | 40.1 | Very low | 42.4 | Very low | 228 Ų | 228 | 141.5 Ų | 141.5 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | trans | -60 | 129.4 | 158 | -105.9 | -101.4 | 0 | 0 | 0 | 108.7 | ||||
| 191 | N | 31.7 | Very low | 43.7 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -107.4 | 113.1 | 169.9 | -131.3 | -42 | 0 | 0 | 0 | 109.6 | ||||
| 192 | Q | 36.9 | Very low | 44.5 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 130.4 | 177.6 | -75.3 | -81 | 17.7 | 0 | 0 | 110.1 | ||
| 193 | N | 40.7 | Very low | 45.3 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 139.3 | 165.6 | -106.2 | 89 | 0 | 0 | 0 | 110.9 | ||
| 194 | P | 48 | Very low | 45.7 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 145.2 | 150 | 31.9 | -26.1 | 0 | 0 | 0 | 111 | ||
| 195 | V | 44.2 | Very low | 46.3 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 144.5 | -165.6 | -161.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 196 | S | 43.4 | Very low | 47 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -146.3 | 96 | 156.3 | -87.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 197 | L | 54.4 | Low | 47.5 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 24.6 | 93.9 | 138.6 | -58.2 | 170.3 | 0 | 0 | 0 | 117 | ||||
| 198 | A | 52.2 | Low | 48 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 141.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 199 | P | 59.1 | Low | 47.8 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 154.4 | -179.6 | 30.5 | -33.6 | 0 | 0 | 0 | 111.2 | ||
| 200 | P | 62.5 | Low | 48.4 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.5 | 175.6 | 29.2 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 201 | P | 65.1 | Low | 49.4 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.9 | 176.1 | 28 | -33.9 | 0 | 0 | 0 | 111 | S203 | P201-S203 PolarHBondContact O-N 3.47Š|
| 202 | P | 51.6 | Low | 50.2 | Low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134.4 | 175.6 | 27.4 | -32.9 | 0 | 0 | 0 | 110.3 | I204 | P202-I204 PolarHBondContact O-N 3.02Å; P202-I204 VanDerWaalsContact O-N 3.16Å |
| 203 | S | 54.9 | Low | 51.1 | Low | 120 Ų | 120 | 134.9 Ų | 134.9 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | trans | -58.3 | 115.9 | 174 | -57.3 | 0 | 0 | 0 | 0 | 110 | P201 L205 | P201-S203 PolarHBondContact O-N 3.47Å; S203-L205 PolarHBondContact O-N 2.95Å | ||
| 204 | I | 48.3 | Very low | 51.4 | Low | 151 Ų | 151 | 136.5 Ų | 136.5 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | -64.6 | 123.9 | 166.3 | -165.8 | 164.6 | 0 | 0 | 0 | 107.4 | P202 Q206 | P202-I204 PolarHBondContact O-N 3.02Å; P202-I204 VanDerWaalsContact O-N 3.16Å; I204-Q206 PolarHBondContact O-N 3.47Å | ||
| 205 | L | 47.4 | Very low | 51.8 | Low | 159 Ų | 159 | 133.7 Ų | 133.7 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -52.5 | 106.8 | 172.7 | -72.2 | 166.1 | 0 | 0 | 0 | 108.4 | S203 V207 | S203-L205 PolarHBondContact O-N 2.95Å; L205-V207 VanDerWaalsContact C-N 3.28Å; L205-V207 PolarHBondContact O-N 2.83Å | ||
| 206 | Q | 48.7 | Very low | 51.9 | Low | 170 Ų | 170 | 137.4 Ų | 137.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -69.5 | 91.6 | 168.1 | -70.5 | 179.2 | -32.7 | 0 | 0 | 107.1 | I204 T208 | I204-Q206 PolarHBondContact O-N 3.47Å; Q206-T208 VanDerWaalsContact C-N 3.25Å; Q206-T208 PolarHBondContact O-N 2.83Å | ||
| 207 | V | 46.3 | Very low | 52.2 | Low | 132 Ų | 132 | 138 Ų | 138 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 90.3 | 162.4 | 180 | 0 | 0 | 0 | 0 | 106.3 | L205 | L205-V207 VanDerWaalsContact C-N 3.28Å; L205-V207 PolarHBondContact O-N 2.83Å | ||
| 208 | T | 47.4 | Very low | 51.9 | Low | 102 Ų | 102 | 134.8 Ų | 134.8 | 63% | 0.626 | 79% | 0.794 | S | S | * | * | trans | -72.3 | 124.7 | 161.4 | 39.5 | 0 | 0 | 0 | 0 | 107.9 | Q206 Q210 | Q206-T208 VanDerWaalsContact C-N 3.25Å; Q206-T208 PolarHBondContact O-N 2.83Å; T208-Q210 PolarHBondContact O-N 2.94Å | ||
| 209 | P | 45.2 | Very low | 51.8 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 101.6 | 160.8 | 27.5 | -29.3 | 0 | 0 | 0 | 107.5 | L211 | P209-L211 PolarHBondContact O-N 2.95Å; P209-L211 VanDerWaalsContact O-N 3.15Å | ||
| 210 | Q | 48 | Very low | 51.5 | Low | 180 Ų | 180 | 140.1 Ų | 140.1 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -63.9 | 109 | 161 | -88.1 | -176 | 76.9 | 0 | 0 | 107.6 | T208 | T208-Q210 PolarHBondContact O-N 2.94Š| ||
| 211 | L | 60.3 | Low | 50.5 | Low | 155 Ų | 155 | 141.4 Ų | 141.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 125.9 | 159.6 | -66.9 | 172.5 | 0 | 0 | 0 | 107.5 | P209 L213 | P209-L211 PolarHBondContact O-N 2.95Å; P209-L211 VanDerWaalsContact O-N 3.15Å; L211-L213 PolarHBondContact O-N 2.54Å; L211-L213 VanDerWaalsContact O-N 3.08Å | ||
| 212 | P | 49.4 | Very low | 49.5 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 116.9 | 172.5 | 22.6 | -28.6 | 0 | 0 | 0 | 109.4 | M214 | P212-M214 PolarHBondContact O-N 2.66Å; P212-M214 VanDerWaalsContact O-N 3.08Å | ||
| 213 | L | 55.8 | Low | 48.9 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -53.6 | 102.6 | 170.6 | -152.3 | 79.1 | 0 | 0 | 0 | 109.6 | L211 | L211-L213 PolarHBondContact O-N 2.54Å; L211-L213 VanDerWaalsContact O-N 3.08Å | ||
| 214 | M | 47.2 | Very low | 48.5 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -140.1 | 105.9 | 159 | -156.9 | 85.3 | 80.4 | 0 | 0 | 109.2 | P212 | P212-M214 PolarHBondContact O-N 2.66Å; P212-M214 VanDerWaalsContact O-N 3.08Å | ||
| 215 | G | 55.9 | Low | 48.3 | Very low | 57 Ų | 57 | 143.7 Ų | 143.7 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | 91.9 | 54.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 216 | F | 45.8 | Very low | 48.6 | Very low | 210 Ų | 210 | 141.7 Ų | 141.7 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -129.4 | 87.2 | 148.2 | -66.9 | -76.5 | 0 | 0 | 0 | 109.5 | A218 | F216-A218 PolarHBondContact O-N 2.81Å; F216-A218 VanDerWaalsContact O-N 3.1Å | ||
| 217 | V | 51.3 | Low | 49 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 101.5 | 166.2 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | R219 | V217-R219 HydrophobicContact CG1-CB 4.06Å; V217-R219 PolarHBondContact O-N 2.8Å; V217-R219 VanDerWaalsContact O-N 3.13Å | ||
| 218 | A | 48.3 | Very low | 49.4 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -66.3 | 102.7 | 154 | 0 | 0 | 0 | 0 | 0 | 107.2 | F216 | F216-A218 PolarHBondContact O-N 2.81Å; F216-A218 VanDerWaalsContact O-N 3.1Å | ||
| 219 | R | 49.6 | Very low | 50 | Low | 173 Ų | 173 | 139.1 Ų | 139.1 | 65% | 0.653 | 78% | 0.781 | S | S | * | * | trans | -121.5 | 104.6 | 156.8 | 99.2 | -177 | -162.1 | 89.2 | 5.2 | 108.5 | V217 Q221 | V217-R219 HydrophobicContact CG1-CB 4.06Å; V217-R219 PolarHBondContact O-N 2.8Å; V217-R219 VanDerWaalsContact O-N 3.13Å; R219-Q221 PolarHBondContact O-N 2.73Å | ||
| 220 | V | 52.7 | Low | 50.9 | Low | 148 Ų | 148 | 139 Ų | 139 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -67 | 118.3 | 154.4 | 161.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 221 | Q | 41.2 | Very low | 51.1 | Low | 144 Ų | 144 | 136.7 Ų | 136.7 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | trans | -151.2 | 105.4 | 154.6 | -164.7 | 154.7 | 10.8 | 0 | 0 | 110.3 | R219 | R219-Q221 PolarHBondContact O-N 2.73Š| ||
| 222 | E | 44.3 | Very low | 50.7 | Low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -48.6 | 132 | 161.2 | -175.5 | -149.4 | 149.1 | 0 | 0 | 111.8 | ||||
| 223 | N | 38.8 | Very low | 50.5 | Low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -175.4 | 101.4 | 138.6 | -160.4 | 44.1 | 0 | 0 | 0 | 112.9 | ||||
| 224 | N | 45.5 | Very low | 50.1 | Low | 121 Ų | 121 | 138.4 Ų | 138.4 | 65% | 0.647 | 78% | 0.778 | S | S | * | * | trans | 37.3 | 103.7 | 141.1 | -63.7 | -77.3 | 0 | 0 | 0 | 122.7 | ||||
| 225 | T | 44.8 | Very low | 50.4 | Low | 135 Ų | 135 | 135.3 Ų | 135.3 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | 177.6 | 132.3 | 129.7 | -69.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 226 | P | 53.1 | Low | 50 | Low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 136.6 | 174.5 | 33.6 | -29.7 | 0 | 0 | 0 | 112.5 | ||
| 227 | P | 57.3 | Low | 50.1 | Low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 158.5 | 166.5 | 31.2 | -29 | 0 | 0 | 0 | 112.7 | ||
| 228 | P | 56.5 | Low | 50 | Low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 163 | -151.2 | 31.9 | -37.2 | 0 | 0 | 0 | 115.8 | ||
| 229 | P | 58.3 | Low | 50.3 | Low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 142.1 | 177.5 | 30.9 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 230 | P | 63.8 | Low | 50.7 | Low | 114 Ų | 114 | 137.2 Ų | 137.2 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.5 | 169.8 | 30 | -32.6 | 0 | 0 | 0 | 111.3 | ||
| 231 | P | 52.8 | Low | 50.9 | Low | 132 Ų | 132 | 135.4 Ų | 135.4 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 141.4 | -175.1 | 30.7 | -33.2 | 0 | 0 | 0 | 111.9 | ||
| 232 | V | 52.7 | Low | 51.6 | Low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 125.2 | 167.7 | -175.2 | 0 | 0 | 0 | 0 | 107 | ||
| 233 | E | 43.8 | Very low | 52.3 | Low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | 170.6 | 152 | 119.7 | -87.2 | -173.1 | 160.4 | 0 | 0 | 111.3 | |||||
| 234 | E | 47.9 | Very low | 53.4 | Low | 177 Ų | 177 | 130 Ų | 130 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -73 | -159 | -160.9 | -52.5 | 179.3 | 129.8 | 0 | 0 | 115.2 | ||||
| 235 | P | 54.3 | Low | 54.1 | Low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | -119.3 | 126.6 | -78.4 | 32 | -14.8 | 0 | 0 | 0 | 110.2 | |||||
| 236 | V | 46.6 | Very low | 54.6 | Low | 144 Ų | 144 | 128.1 Ų | 128.1 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | trans | -119.2 | 103.7 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | D238 | V236-D238 PolarHBondContact O-N 3.45Å; V236-D238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | F | 47.6 | Very low | 54.7 | Low | 173 Ų | 173 | 128.1 Ų | 128.1 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -31.5 | 100.2 | 155.6 | -151.9 | -96.6 | 0 | 0 | 0 | 111.8 | E239 | F237-E239 HydrophobicContact CD1-CB 4.27Å; F237-E239 HydrophobicContact CE1-CB 4.07Å; F237-E239 HydrophobicContact CE1-CG 4.41Å | ||
| 238 | D | 49 | Very low | 54.4 | Low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -105.4 | 111.6 | 152.1 | -162.7 | -108.1 | 0 | 0 | 0 | 106.8 | V236 S240 | V236-D238 PolarHBondContact O-N 3.45Å; V236-D238 VanDerWaalsContact O-N 3.11Å; D238-S240 VanDerWaalsContact C-N 3.32Å; D238-S240 PolarHBondContact O-N 3.3Å | ||
| 239 | E | 55.3 | Low | 53.6 | Low | 157 Ų | 157 | 132.7 Ų | 132.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -68.5 | 80.3 | -174.3 | -178.9 | 154.9 | 71.3 | 0 | 0 | 110.7 | F237 | F237-E239 HydrophobicContact CD1-CB 4.27Å; F237-E239 HydrophobicContact CE1-CB 4.07Å; F237-E239 HydrophobicContact CE1-CG 4.41Å | ||
| 240 | S | 57.6 | Low | 53.2 | Low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 133.8 | 154.4 | -70.8 | 0 | 0 | 0 | 0 | 108 | D238 | D238-S240 VanDerWaalsContact C-N 3.32Å; D238-S240 PolarHBondContact O-N 3.3Å |
| 241 | P | 57.4 | Low | 52 | Low | 109 Ų | 109 | 140.6 Ų | 140.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 144.5 | 171.4 | 24.8 | -32.6 | 0 | 0 | 0 | 108.1 | ||
| 242 | P | 55.7 | Low | 51.5 | Low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52 | 138.9 | 175.2 | 23.8 | -32.8 | 0 | 0 | 0 | 107.7 | ||
| 243 | P | 59.1 | Low | 51 | Low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 142.5 | 165 | 24 | -32.1 | 0 | 0 | 0 | 107 | ||
| 244 | P | 63 | Low | 50.8 | Low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 141.8 | 174 | 22.9 | -33.1 | 0 | 0 | 0 | 108 | ||
| 245 | P | 59.6 | Low | 50.6 | Low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 137.7 | 173.5 | 22.7 | -32.7 | 0 | 0 | 0 | 107.5 | ||
| 246 | P | 55.6 | Low | 50 | Low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 135.5 | 166.7 | 24.8 | -32.4 | 0 | 0 | 0 | 105.8 | E248 | P246-E248 PolarHBondContact O-N 3.16Š|
| 247 | P | 55.1 | Low | 50 | Low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 121.2 | 171.7 | 20.1 | -29.8 | 0 | 0 | 0 | 106.7 | D249 | P247-D249 PolarHBondContact O-N 2.91Š|
| 248 | E | 51.3 | Low | 50.2 | Low | 188 Ų | 188 | 135.5 Ų | 135.5 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -64.6 | 80 | 164.3 | -80.3 | -173.2 | 149.1 | 0 | 0 | 106 | P246 | P246-E248 PolarHBondContact O-N 3.16Š|
| 249 | D | 39.1 | Very low | 50.3 | Low | 139 Ų | 139 | 136.1 Ų | 136.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -146.9 | 78.7 | 150.8 | -100.4 | -32.1 | 0 | 0 | 0 | 105.8 | P247 E251 | P247-D249 PolarHBondContact O-N 2.91Å; D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 VanDerWaalsContact O-N 3.09Å | ||
| 250 | Y | 50.9 | Low | 49.8 | Very low | 230 Ų | 230 | 137.4 Ų | 137.4 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -61.6 | 92.4 | 147.2 | -90 | -97.1 | 0 | 0 | 0 | 107.7 | ||||
| 251 | E | 37.5 | Very low | 49.3 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -130.6 | 99.8 | 141.8 | -69.9 | -165.3 | 167.8 | 0 | 0 | 106.2 | D249 E253 | D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 VanDerWaalsContact O-N 3.09Å; E251-E253 PolarHBondContact O-N 2.67Å | ||
| 252 | E | 41.8 | Very low | 49.1 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | -1.8 | 100.3 | 146.6 | -173.8 | 165.6 | -161.7 | 0 | 0 | 112.2 | E254 | E252-E254 PolarHBondContact O-N 2.93Š| ||
| 253 | E | 41.9 | Very low | 49.1 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | trans | -56.2 | 98.8 | 171.1 | -83.9 | -173.1 | 131.3 | 0 | 0 | 107.2 | E251 A255 | E251-E253 PolarHBondContact O-N 2.67Å; E253-A255 PolarHBondContact O-N 3.5Å | ||
| 254 | E | 40.8 | Very low | 48.8 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | -42.4 | 124 | 168.1 | -91.5 | -152.3 | 126 | 0 | 0 | 108.2 | E252 A256 | E252-E254 PolarHBondContact O-N 2.93Å; E254-A256 PolarHBondContact O-N 2.74Å | ||
| 255 | A | 42.7 | Very low | 48.4 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -48.3 | 102.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E253 V257 | E253-A255 PolarHBondContact O-N 3.5Å; A255-V257 VanDerWaalsContact C-N 3.33Å; A255-V257 PolarHBondContact O-N 3.42Å |
| 256 | A | 43.3 | Very low | 48.1 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 72% | 0.724 | S | S | * | * | trans | 47.3 | 42.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | E254 V258 | E254-A256 PolarHBondContact O-N 2.74Å; A256-V258 PolarHBondContact O-N 2.74Å | ||
| 257 | V | 46.5 | Very low | 48.5 | Very low | 107 Ų | 107 | 142 Ų | 142 | 65% | 0.648 | 73% | 0.733 | S | S | * | * | trans | -82.8 | 83.2 | 152.4 | -174.5 | 0 | 0 | 0 | 0 | 105.7 | A255 E259 | A255-V257 VanDerWaalsContact C-N 3.33Å; A255-V257 PolarHBondContact O-N 3.42Å; V257-E259 PolarHBondContact O-N 3.02Å | ||
| 258 | V | 51 | Low | 49.4 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 70% | 0.697 | 71% | 0.708 | S | S | * | * | trans | -59.7 | 96.8 | 155.9 | 175.6 | 0 | 0 | 0 | 0 | 104.1 | A256 Y260 | A256-V258 PolarHBondContact O-N 2.74Å; V258-Y260 HydrophobicContact CG1-CD2 4.22Å; V258-Y260 PolarHBondContact O-N 2.85Å | ||
| 259 | E | 51.3 | Low | 50.9 | Low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | trans | -59.4 | 85.9 | 163.2 | -173 | 172.1 | -175.2 | 0 | 0 | 105.1 | V257 S261 | V257-E259 PolarHBondContact O-N 3.02Å; E259-S261 PolarHBondContact O-N 3.42Å | ||
| 260 | Y | 44.7 | Very low | 53 | Low | 183 Ų | 183 | 131.7 Ų | 131.7 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -69.1 | 82.4 | 169.6 | -148.2 | -88.7 | 0 | 0 | 0 | 103.5 | V258 D262 | V258-Y260 HydrophobicContact CG1-CD2 4.22Å; V258-Y260 PolarHBondContact O-N 2.85Å; Y260-D262 PolarHBondContact O-N 2.84Å | ||
| 261 | S | 46.4 | Very low | 54.5 | Low | 88 Ų | 88 | 124.6 Ų | 124.6 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | trans | -60.5 | 88.6 | 166.7 | -53.7 | 0 | 0 | 0 | 0 | 105.4 | E259 P263 | E259-S261 PolarHBondContact O-N 3.42Å; S261-P263 VanDerWaalsContact O-CD 3.24Å; S261-P263 WeakPolarHBondContact O-CD 3.4Å; S261-P263 VanDerWaalsContact O-N 3.12Å | ||
| 262 | D | 53.1 | Low | 56.8 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 39% | 0.385 | 63% | 0.628 | S | S | . | * | trans | -55.5 | 117.3 | 170.3 | -178.5 | -4.9 | 0 | 0 | 0 | 105.4 | Y260 Y264 A265 | Y260-D262 PolarHBondContact O-N 2.84Å; D262-Y264 PolarHBondContact O-N 3.01Å; D262-Y264 WeakPolarHBondContact OD1-CB 3.43Å; D262-Y264 WeakPolarHBondContact OD1-CD2 3.28Å; D262-Y264 PolarHBondContact OD1-N 3.25Å; D262-A265 HydrophobicContact CB-CB 4.37Å; D262-A265 VanDerWaalsContact O-CB 3.28Å; D262-A265 WeakPolarHBondContact O-CB 3.19Å; D262-A265 PolarHBondContact O-N 2.96Å | ||
| 263 | P | 56.2 | Low | 59 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 72% | 0.721 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -0.2 | 178.5 | 25.3 | -33.6 | 0 | 0 | 0 | 113.1 | S261 | S261-P263 VanDerWaalsContact O-CD 3.24Å; S261-P263 WeakPolarHBondContact O-CD 3.4Å; S261-P263 VanDerWaalsContact O-N 3.12Å |
| 264 | Y | 53.7 | Low | 61 | Low | 167 Ų | 167 | 112.5 Ų | 112.5 | 66% | 0.655 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -4.7 | 167.9 | -70.2 | -85.6 | 0 | 0 | 0 | 115.5 | D262 E266 | D262-Y264 PolarHBondContact O-N 3.01Å; D262-Y264 WeakPolarHBondContact OD1-CB 3.43Å; D262-Y264 WeakPolarHBondContact OD1-CD2 3.28Å; D262-Y264 PolarHBondContact OD1-N 3.25Å; Y264-E266 VanDerWaalsContact C-N 3.26Å; Y264-E266 PolarHBondContact O-N 3.16Å |
| 265 | A | 53 | Low | 63.2 | Low | 45 Ų | 45 | 108.9 Ų | 108.9 | 37% | 0.372 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -74.3 | -12.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | D262 E267 D268 | D262-A265 HydrophobicContact CB-CB 4.37Å; D262-A265 VanDerWaalsContact O-CB 3.28Å; D262-A265 WeakPolarHBondContact O-CB 3.19Å; D262-A265 PolarHBondContact O-N 2.96Å; A265-E267 PolarHBondContact O-N 3.43Å; A265-D268 PolarHBondContact O-N 2.87Å |
| 266 | E | 53.6 | Low | 65.4 | Low | 178 Ų | 178 | 108.7 Ų | 108.7 | 83% | 0.832 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -68.8 | -2.5 | -173.6 | -78 | -68.8 | 118.9 | 0 | 0 | 115.6 | Y264 | Y264-E266 VanDerWaalsContact C-N 3.26Å; Y264-E266 PolarHBondContact O-N 3.16Å |
| 267 | E | 64.8 | Low | 67.7 | Low | 186 Ų | 186 | 109.7 Ų | 109.7 | 87% | 0.869 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -143.9 | 47.9 | 167.3 | -64.6 | -166.1 | 159.8 | 0 | 0 | 112.6 | A265 | A265-E267 PolarHBondContact O-N 3.43Š|
| 268 | D | 74.3 | Confident | 69.8 | Low | 44 Ų | 44 | 106.2 Ų | 106.2 | 24% | 0.235 | 54% | 0.542 | C | S | . | . | trans | -57.3 | 135 | 158.6 | -85.9 | -31.2 | 0 | 0 | 0 | 108.3 | A265 A272 Y276 K279 Y303 | A265-D268 PolarHBondContact O-N 2.87Å; D268-A272 HydrophobicContact CB-CB 4.03Å; D268-Y276 PolarHBondContact OD2-OH 2.94Å; D268-K279 IonicContact OD1-NZ 2.97Å; D268-K279 PolarHBondContact OD1-NZ 3.45Å; D268-Y303 VanDerWaalsContact CG-OH 3.29Å; D268-Y303 PolarHBondContact OD1-OH 3.45Å | ||
| 269 | P | 82.2 | Confident | 71.8 | Confident | 45 Ų | 45 | 102.4 Ų | 102.4 | 29% | 0.292 | 52% | 0.516 | S | S | . | . | trans | -55.6 | 152.9 | -176 | -26.2 | 34 | 0 | 0 | 0 | 111.8 | W271 A272 | P269-W271 HydrophobicContact CB-CD2 3.97Å; P269-W271 VanDerWaalsContact CB-CE2 3.48Å; P269-W271 HydrophobicContact CB-CG 3.91Å; P269-W271 HydrophobicContact CB-CZ2 4.12Å; P269-W271 HydrophobicContact CG-CZ2 3.78Å; P269-W271 PolarHBondContact O-N 2.91Å; P269-A272 WeakPolarHBondContact O-CB 3.23Å; P269-A272 PolarHBondContact O-N 3.3Å | ||
| 270 | P | 82.4 | Confident | 73.9 | Confident | 139 Ų | 139 | 94.8 Ų | 94.8 | 90% | 0.903 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.1 | -179.9 | 25.8 | -35.9 | 0 | 0 | 0 | 113.7 | ||
| 271 | W | 83.1 | Confident | 76.3 | Confident | 81 Ų | 81 | 87.9 Ų | 87.9 | 31% | 0.307 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -16.5 | 174.2 | 62.7 | -107.4 | 0 | 0 | 0 | 113.3 | P269 Y303 V316 N318 G319 | P269-W271 HydrophobicContact CB-CD2 3.97Å; P269-W271 VanDerWaalsContact CB-CE2 3.48Å; P269-W271 HydrophobicContact CB-CG 3.91Å; P269-W271 HydrophobicContact CB-CZ2 4.12Å; P269-W271 HydrophobicContact CG-CZ2 3.78Å; P269-W271 PolarHBondContact O-N 2.91Å; W271-Y303 HydrophobicContact CH2-CD2 4.02Å; W271-Y303 AromaticContact CH2-CE2 3.58Å; W271-Y303 HydrophobicContact CH2-CE2 3.58Å; W271-Y303 AromaticContact CZ3-CD2 3.72Å; W271-Y303 HydrophobicContact CZ3-CD2 3.72Å; W271-Y303 AromaticContact CZ3-CE2 3.67Å; W271-Y303 HydrophobicContact CZ3-CE2 3.67Å; W271-V316 HydrophobicContact CE3-CG1 4.13Å; W271-V316 HydrophobicContact CZ3-CG1 4.32Å; W271-N318 VanDerWaalsContact CH2-N 3.3Å; W271-G319 VanDerWaalsContact CE3-N 3.31Å |
| 272 | A | 86.5 | Confident | 78.6 | Confident | 15 Ų | 15 | 83.8 Ų | 83.8 | 12% | 0.124 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -65.1 | 135.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | D268 P269 Y303 | D268-A272 HydrophobicContact CB-CB 4.03Å; P269-A272 WeakPolarHBondContact O-CB 3.23Å; P269-A272 PolarHBondContact O-N 3.3Å; A272-Y303 HydrophobicContact CB-CD2 4.3Å; A272-Y303 HydrophobicContact CB-CE1 4.1Å; A272-Y303 HydrophobicContact CB-CE2 3.88Å |
| 273 | P | 87.8 | Confident | 80.6 | Confident | 27 Ų | 27 | 82.4 Ų | 82.4 | 18% | 0.175 | 42% | 0.421 | C | S | . | . | trans | -63.8 | 140 | 176.6 | 27.9 | -33.7 | 0 | 0 | 0 | 109.5 | A275 Y276 Y303 I305 V316 | P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.34Å; P273-Y276 WeakPolarHBondContact O-CD1 3.39Å; P273-Y303 HydrophobicContact CG-CG 4.19Å; P273-I305 HydrophobicContact CB-CD1 4.24Å; P273-I305 HydrophobicContact CG-CD1 4.39Å; P273-I305 HydrophobicContact CG-CG1 4.35Å; P273-V316 HydrophobicContact CB-CG2 4.46Å; P273-V316 HydrophobicContact CG-CB 4.09Å; P273-V316 HydrophobicContact CG-CG2 4.06Å | ||
| 274 | R | 84.3 | Confident | 82.5 | Confident | 256 Ų | 256 | 79.4 Ų | 79.4 | 97% | 0.966 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -69.9 | -26.5 | 176.9 | -63.3 | -176.7 | -176.3 | 168.4 | -0.3 | 112.9 | ||
| 275 | A | 86.9 | Confident | 84.4 | Confident | 81 Ų | 81 | 76 Ų | 76 | 67% | 0.669 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -119.7 | 118.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | P273 | P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.34Å |
| 276 | Y | 89.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 34% | 0.341 | 38% | 0.375 | S | S | . | . | trans | -144.5 | 149.5 | 174.4 | 59.2 | -90.8 | 0 | 0 | 0 | 108.8 | D268 P273 K279 Y303 V304 | D268-Y276 PolarHBondContact OD2-OH 2.94Å; P273-Y276 WeakPolarHBondContact O-CD1 3.39Å; Y276-K279 HydrophobicContact CE2-CB 4.17Å; Y276-Y303 AromaticContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CE1 4.45Å; Y276-Y303 HydrophobicContact CD2-CD1 4.1Å; Y276-Y303 AromaticContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CE1 4.02Å; Y276-Y303 HydrophobicContact CE2-CD1 4.11Å; Y276-Y303 AromaticContact CG-CD1 3.89Å; Y276-Y303 HydrophobicContact CG-CD1 3.89Å; Y276-Y303 AromaticContact CZ-CD1 3.9Å; Y276-V304 CarbonylContact C-O 3.55Å; Y276-V304 WeakPolarHBondContact CA-O 3.35Å; Y276-V304 WeakPolarHBondContact CB-O 3.44Å | ||
| 277 | L | 90.9 | Very high | 88.4 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 60% | 0.602 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.4 | -41.6 | 177.3 | -65.1 | 173.9 | 0 | 0 | 0 | 111.4 | V304 I305 K307 | L277-V304 PolarHBondContact N-O 3.18Å; L277-I305 VanDerWaalsContact CD1-O 3.31Å; L277-I305 WeakPolarHBondContact CD1-O 2.97Å; L277-I305 WeakPolarHBondContact CG-O 3.22Å; L277-K307 HydrophobicContact CD1-CG 4.46Å |
| 278 | E | 91.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 148.1 | -174.2 | -174.9 | 168.3 | -149.8 | 0 | 0 | 111.6 | V280 V304 K307 S331 | E278-V280 HydrophobicContact CG-CG1 4.04Å; E278-V304 HydrophobicContact CB-CB 4.48Å; E278-V304 WeakPolarHBondContact O-CB 3.38Å; E278-V304 PolarHBondContact O-N 3.2Å; E278-K307 IonicContact OE2-NZ 2.66Å; E278-K307 PolarHBondContact OE2-NZ 2.92Å; E278-S331 VanDerWaalsContact CD-OG 3.27Å; E278-S331 WeakPolarHBondContact OE1-CB 3.49Å; E278-S331 PolarHBondContact OE1-OG 3.15Å |
| 279 | K | 92.3 | Very high | 90.6 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.2 | 169.4 | -168.5 | 165 | 169.3 | 179.4 | 0 | 108.8 | D268 Y276 I301 Y303 I332 | D268-K279 IonicContact OD1-NZ 2.97Å; D268-K279 PolarHBondContact OD1-NZ 3.45Å; Y276-K279 HydrophobicContact CE2-CB 4.17Å; K279-I301 HydrophobicContact CD-CG2 4.16Å; K279-I301 VanDerWaalsContact CE-CG2 3.46Å; K279-I301 HydrophobicContact CG-CG2 3.8Å; K279-Y303 HydrophobicContact CD-CD1 4.32Å; K279-Y303 HydrophobicContact CD-CE1 3.73Å; K279-Y303 HydrophobicContact CG-CD1 4.41Å; K279-Y303 HydrophobicContact CG-CE1 4.26Å; K279-Y303 PolarHBondContact NZ-OH 2.8Å; K279-I332 HydrophobicContact CB-CD1 3.7Å; K279-I332 HydrophobicContact CB-CG1 3.64Å; K279-I332 HydrophobicContact CD-CD1 3.45Å; K279-I332 VanDerWaalsContact CD-CD1 3.45Å; K279-I332 HydrophobicContact CD-CG1 4.31Å; K279-I332 HydrophobicContact CG-CD1 3.41Å; K279-I332 VanDerWaalsContact CG-CD1 3.41Å; K279-I332 HydrophobicContact CG-CG1 3.75Å; K279-I332 WeakPolarHBondContact O-CG1 2.99Å; K279-I332 PolarHBondContact O-N 3.42Å; K279-I332 VanDerWaalsContact O-N 3.11Å |
| 280 | V | 94.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153 | -177 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | E278 I301 I302 V304 F324 V329 E330 | E278-V280 HydrophobicContact CG-CG1 4.04Å; V280-I301 WeakPolarHBondContact O-CA 3.36Å; V280-I302 HydrophobicContact CG2-CB 3.85Å; V280-I302 WeakPolarHBondContact CG2-O 3.18Å; V280-I302 PolarHBondContact N-O 2.96Å; V280-I302 PolarHBondContact O-N 2.93Å; V280-V304 HydrophobicContact CB-CG2 4.43Å; V280-V304 HydrophobicContact CG1-CG2 3.7Å; V280-V304 HydrophobicContact CG2-CG2 3.82Å; V280-F324 HydrophobicContact CG2-CE2 4.43Å; V280-F324 HydrophobicContact CG2-CZ 4.31Å; V280-V329 HydrophobicContact CB-CB 3.95Å; V280-V329 HydrophobicContact CB-CG2 4.07Å; V280-V329 HydrophobicContact CG1-CG2 4.33Å; V280-V329 HydrophobicContact CG2-CB 3.83Å; V280-V329 HydrophobicContact CG2-CG1 4.03Å; V280-V329 HydrophobicContact CG2-CG2 3.93Å; V280-E330 CarbonylContact C-O 3.54Å; V280-E330 WeakPolarHBondContact CA-O 3.45Å; V280-E330 WeakPolarHBondContact CB-O 3.12Å |
| 281 | V | 95.4 | Very high | 91.7 | Very high | 37 Ų | 37 | 75.8 Ų | 75.8 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.1 | 172.4 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | I283 A300 I301 V329 E330 I332 | V281-I283 PolarHBondContact O-N 3.36Å; V281-A300 CarbonylContact C-O 3.46Å; V281-A300 WeakPolarHBondContact CA-O 3.4Å; V281-I301 HydrophobicContact CB-CD1 4.04Å; V281-I301 HydrophobicContact CG2-CD1 4.1Å; V281-V329 CarbonylContact O-C 3.5Å; V281-V329 VanDerWaalsContact O-CA 3.23Å; V281-V329 WeakPolarHBondContact O-CA 3.42Å; V281-E330 HydrophobicContact CG1-CB 4.32Å; V281-E330 PolarHBondContact N-O 3.19Å; V281-E330 PolarHBondContact O-N 2.81Å; V281-I332 HydrophobicContact CB-CG2 3.72Å; V281-I332 HydrophobicContact CG1-CG2 3.82Å |
| 282 | A | 95.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.025 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F296 Q297 G299 A300 Y328 | A282-F296 HydrophobicContact CB-CD2 3.38Å; A282-F296 HydrophobicContact CB-CE2 3.51Å; A282-F296 HydrophobicContact CB-CG 4.46Å; A282-Q297 VanDerWaalsContact CB-O 3.29Å; A282-Q297 WeakPolarHBondContact CB-O 3.3Å; A282-G299 PolarHBondContact O-N 3.48Å; A282-A300 HydrophobicContact CB-CB 4.17Å; A282-A300 PolarHBondContact N-O 2.87Å; A282-Y328 WeakPolarHBondContact CA-O 3.28Å |
| 283 | I | 95 | Very high | 92.8 | Very high | 42 Ų | 42 | 75.3 Ų | 75.3 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -101 | -8.4 | 174.2 | 55.5 | 161.1 | 0 | 0 | 0 | 112.7 | V281 Y328 E330 | V281-I283 PolarHBondContact O-N 3.36Å; I283-Y328 VanDerWaalsContact CG1-O 3.25Å; I283-Y328 WeakPolarHBondContact CG1-O 3.4Å; I283-Y328 PolarHBondContact N-O 2.9Å; I283-E330 HydrophobicContact CD1-CG 4.07Å; I283-E330 HydrophobicContact CG1-CG 4.44Å; I283-E330 HydrophobicContact CG2-CB 4.01Å; I283-E330 HydrophobicContact CG2-CG 3.63Å |
| 284 | Y | 94.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -142.3 | 155.9 | 173.9 | -60.8 | -66.1 | 0 | 0 | 0 | 110.3 | P27 P28 F296 Y328 | P27-Y284 HydrophobicContact CB-CD1 4.07Å; P27-Y284 HydrophobicContact CB-CD2 4.41Å; P27-Y284 HydrophobicContact CB-CG 3.92Å; P28-Y284 HydrophobicContact CG-CD2 4.46Å; P28-Y284 HydrophobicContact CG-CE2 4.08Å; Y284-F296 WeakPolarHBondContact O-CE2 3.09Å; Y284-Y328 PolarHBondContact N-O 3.08Å |
| 285 | D | 95 | Very high | 93.7 | Very high | 96 Ų | 96 | 64.3 Ų | 64.3 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | trans | -67.3 | 140.3 | 167.5 | -65.4 | -21 | 0 | 0 | 0 | 110.8 | Q297 E298 Y328 | D285-Q297 WeakPolarHBondContact OD1-CA 3.25Å; D285-E298 PolarHBondContact OD1-N 2.9Å; D285-Y328 WeakPolarHBondContact O-CE1 3.29Å | ||
| 286 | Y | 95.2 | Very high | 94.2 | Very high | 16 Ų | 16 | 61 Ų | 61 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -131 | 128.7 | 172 | -173.6 | -104.4 | 0 | 0 | 0 | 110.9 | P30 E293 L294 S295 F296 W312 P325 Y328 | P30-Y286 HydrophobicContact CB-CE2 4.31Å; P30-Y286 HydrophobicContact CG-CE2 4.24Å; Y286-E293 HydrophobicContact CE1-CB 4.49Å; Y286-E293 PolarHBondContact OH-OE2 3.11Å; Y286-L294 VanDerWaalsContact CD1-O 3.31Å; Y286-L294 WeakPolarHBondContact CD1-O 3.5Å; Y286-S295 CarbonylContact O-C 3.54Å; Y286-S295 VanDerWaalsContact O-CA 3.25Å; Y286-S295 WeakPolarHBondContact O-CA 3.21Å; Y286-F296 VanDerWaalsContact CB-CZ 3.5Å; Y286-F296 HydrophobicContact CD1-CE1 4.15Å; Y286-F296 HydrophobicContact CG-CE1 4.3Å; Y286-F296 HydrophobicContact CG-CZ 4.25Å; Y286-F296 PolarHBondContact N-O 3.06Å; Y286-F296 PolarHBondContact O-N 2.91Å; Y286-F296 VanDerWaalsContact O-O 3.09Å; Y286-W312 VanDerWaalsContact OH-CH2 3.24Å; Y286-W312 WeakPolarHBondContact OH-CH2 3.28Å; Y286-P325 HydrophobicContact CD2-CG 3.64Å; Y286-P325 HydrophobicContact CE2-CG 3.67Å; Y286-P325 HydrophobicContact CG-CG 4.13Å; Y286-Y328 HydrophobicContact CD2-CD1 4.1Å; Y286-Y328 AromaticContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CG-CD1 4.48Å |
| 287 | T | 95.3 | Very high | 94.5 | Very high | 117 Ų | 117 | 63.9 Ų | 63.9 | 72% | 0.718 | 32% | 0.323 | S | S | * | . | trans | -109.6 | 122.4 | 172.5 | -58 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 288 | K | 93.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 65 Ų | 65 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -56.6 | 135.4 | 177.5 | 75.5 | -178.6 | -170.4 | 167.8 | 0 | 112.2 | K290 E293 S295 | K288-K290 WeakPolarHBondContact CD-O 3.44Å; K288-E293 HydrophobicContact CB-CB 3.6Å; K288-E293 WeakPolarHBondContact CD-O 3.02Å; K288-S295 WeakPolarHBondContact CB-OG 3.43Å; K288-S295 VanDerWaalsContact CG-OG 3.26Å; K288-S295 WeakPolarHBondContact CG-OG 3.39Å; K288-S295 PolarHBondContact N-OG 3.37Å | ||
| 289 | D | 92 | Very high | 94.6 | Very high | 140 Ų | 140 | 65.6 Ų | 65.6 | 75% | 0.749 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -91.4 | -35.6 | 171.6 | -172.2 | -105.6 | 0 | 0 | 0 | 110.7 | E293 | D289-E293 PolarHBondContact N-OE2 2.77Š|
| 290 | K | 93.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -112.6 | 167.4 | 179.7 | -51.6 | -170.4 | -144.6 | 81.8 | 0 | 112.6 | S33 K288 D292 E293 | S33-K290 PolarHBondContact OG-NZ 3.21Å; K288-K290 WeakPolarHBondContact CD-O 3.44Å; K290-D292 VanDerWaalsContact C-N 3.33Å; K290-D292 WeakPolarHBondContact CB-OD1 3.31Å; K290-E293 HydrophobicContact CB-CG 4.21Å; K290-E293 WeakPolarHBondContact CG-OE1 3.42Å; K290-E293 IonicContact NZ-OE1 2.74Å; K290-E293 PolarHBondContact NZ-OE1 3.07Å; K290-E293 PolarHBondContact O-N 3.19Å |
| 291 | E | 93.7 | Very high | 94.7 | Very high | 180 Ų | 180 | 67.6 Ų | 67.6 | 84% | 0.841 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -30.1 | -177.6 | 63.3 | -176.6 | 174.4 | 0 | 0 | 113.4 | E293 | E291-E293 VanDerWaalsContact C-N 3.26Å; E291-E293 PolarHBondContact O-N 3.49Å |
| 292 | D | 95.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.6 | 177.9 | 56.5 | -56.4 | 0 | 0 | 0 | 113.7 | K290 G322 L323 | K290-D292 VanDerWaalsContact C-N 3.33Å; K290-D292 WeakPolarHBondContact CB-OD1 3.31Å; D292-G322 CarbonylContact O-C 3.54Å; D292-G322 VanDerWaalsContact O-CA 3.28Å; D292-G322 WeakPolarHBondContact O-CA 3.31Å; D292-L323 PolarHBondContact O-N 2.97Å; D292-L323 WeakPolarHBondContact OD2-CD1 3.25Å |
| 293 | E | 96.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 153.9 | -178.6 | -71.8 | 175.1 | -158 | 0 | 0 | 112.6 | Y286 K288 D289 K290 E291 W312 L323 | Y286-E293 HydrophobicContact CE1-CB 4.49Å; Y286-E293 PolarHBondContact OH-OE2 3.11Å; K288-E293 HydrophobicContact CB-CB 3.6Å; K288-E293 WeakPolarHBondContact CD-O 3.02Å; D289-E293 PolarHBondContact N-OE2 2.77Å; K290-E293 HydrophobicContact CB-CG 4.21Å; K290-E293 WeakPolarHBondContact CG-OE1 3.42Å; K290-E293 IonicContact NZ-OE1 2.74Å; K290-E293 PolarHBondContact NZ-OE1 3.07Å; K290-E293 PolarHBondContact O-N 3.19Å; E291-E293 VanDerWaalsContact C-N 3.26Å; E291-E293 PolarHBondContact O-N 3.49Å; E293-W312 HydrophobicContact CG-CH2 4.16Å; E293-W312 HydrophobicContact CG-CZ3 3.76Å; E293-L323 CarbonylContact C-O 3.49Å; E293-L323 WeakPolarHBondContact CA-O 3.26Å; E293-L323 WeakPolarHBondContact CB-O 3.34Å; E293-L323 HydrophobicContact CG-CB 4.32Å |
| 294 | L | 96.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | trans | -105.9 | 113.2 | -176.5 | -175.4 | 68.5 | 0 | 0 | 0 | 110.9 | Y286 F296 I302 M317 V320 L323 F324 | Y286-L294 VanDerWaalsContact CD1-O 3.31Å; Y286-L294 WeakPolarHBondContact CD1-O 3.5Å; L294-F296 HydrophobicContact CG-CD1 4.42Å; L294-F296 VanDerWaalsContact O-CD1 3.3Å; L294-F296 WeakPolarHBondContact O-CD1 3Å; L294-F296 WeakPolarHBondContact O-CE1 3.49Å; L294-I302 HydrophobicContact CD2-CD1 4.45Å; L294-I302 HydrophobicContact CD2-CG2 4.01Å; L294-M317 HydrophobicContact CD1-CB 4.47Å; L294-M317 HydrophobicContact CD1-CE 4.32Å; L294-M317 HydrophobicContact CD2-CB 3.96Å; L294-M317 HydrophobicContact CG-CE 4.49Å; L294-V320 HydrophobicContact CD1-CB 4.08Å; L294-V320 HydrophobicContact CD1-CG1 3.82Å; L294-L323 PolarHBondContact N-O 2.95Å; L294-F324 HydrophobicContact CD2-CD1 4.14Å | ||
| 295 | S | 96.2 | Very high | 94.9 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | trans | -80.3 | 140 | 171.5 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | Y286 K288 M317 | Y286-S295 CarbonylContact O-C 3.54Å; Y286-S295 VanDerWaalsContact O-CA 3.25Å; Y286-S295 WeakPolarHBondContact O-CA 3.21Å; K288-S295 WeakPolarHBondContact CB-OG 3.43Å; K288-S295 VanDerWaalsContact CG-OG 3.26Å; K288-S295 WeakPolarHBondContact CG-OG 3.39Å; K288-S295 PolarHBondContact N-OG 3.37Å; S295-M317 WeakPolarHBondContact O-CE 3.39Å | ||
| 296 | F | 96.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -154.6 | 168.5 | 176.1 | 53.3 | -95.7 | 0 | 0 | 0 | 112 | A282 Y284 Y286 L294 A300 I302 M317 F324 V329 | A282-F296 HydrophobicContact CB-CD2 3.38Å; A282-F296 HydrophobicContact CB-CE2 3.51Å; A282-F296 HydrophobicContact CB-CG 4.46Å; Y284-F296 WeakPolarHBondContact O-CE2 3.09Å; Y286-F296 VanDerWaalsContact CB-CZ 3.5Å; Y286-F296 HydrophobicContact CD1-CE1 4.15Å; Y286-F296 HydrophobicContact CG-CE1 4.3Å; Y286-F296 HydrophobicContact CG-CZ 4.25Å; Y286-F296 PolarHBondContact N-O 3.06Å; Y286-F296 PolarHBondContact O-N 2.91Å; Y286-F296 VanDerWaalsContact O-O 3.09Å; L294-F296 HydrophobicContact CG-CD1 4.42Å; L294-F296 VanDerWaalsContact O-CD1 3.3Å; L294-F296 WeakPolarHBondContact O-CD1 3Å; L294-F296 WeakPolarHBondContact O-CE1 3.49Å; F296-A300 HydrophobicContact CB-CB 3.92Å; F296-I302 HydrophobicContact CB-CD1 4.42Å; F296-I302 HydrophobicContact CD1-CD1 3.53Å; F296-I302 HydrophobicContact CD2-CD1 4.19Å; F296-I302 HydrophobicContact CE1-CD1 3.71Å; F296-I302 HydrophobicContact CE2-CD1 4.33Å; F296-I302 HydrophobicContact CG-CD1 3.79Å; F296-I302 HydrophobicContact CZ-CD1 4.1Å; F296-M317 HydrophobicContact CB-CE 3.74Å; F296-M317 HydrophobicContact CB-SD 3.58Å; F296-M317 VanDerWaalsContact CB-SD 3.58Å; F296-F324 HydrophobicContact CE1-CB 3.54Å; F296-F324 HydrophobicContact CE1-CD2 4.1Å; F296-F324 AromaticContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CZ-CB 4.2Å; F296-F324 HydrophobicContact CZ-CD2 4.23Å; F296-F324 HydrophobicContact CZ-CG 4.48Å; F296-V329 HydrophobicContact CE2-CG1 4.43Å; F296-V329 HydrophobicContact CZ-CG1 4.24Å |
| 297 | Q | 96.4 | Very high | 94.9 | Very high | 147 Ų | 147 | 68.5 Ų | 68.5 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | trans | -106 | 159.1 | 176 | -66.7 | -177.2 | -33.7 | 0 | 0 | 110.9 | A282 D285 G299 A300 | A282-Q297 VanDerWaalsContact CB-O 3.29Å; A282-Q297 WeakPolarHBondContact CB-O 3.3Å; D285-Q297 WeakPolarHBondContact OD1-CA 3.25Å; Q297-G299 PolarHBondContact O-N 2.81Å; Q297-A300 WeakPolarHBondContact O-CB 3.1Å; Q297-A300 PolarHBondContact O-N 2.63Å | ||
| 298 | E | 93.1 | Very high | 94.9 | Very high | 139 Ų | 139 | 64.9 Ų | 64.9 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 133.7 | 168.4 | -175.1 | -173.4 | 158.8 | 0 | 0 | 110.3 | D285 A300 | D285-E298 PolarHBondContact OD1-N 2.9Å; E298-A300 VanDerWaalsContact C-N 3.33Å |
| 299 | G | 91.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 68.6 Ų | 68.6 | 47% | 0.474 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -2.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | A282 Q297 | A282-G299 PolarHBondContact O-N 3.48Å; Q297-G299 PolarHBondContact O-N 2.81Å |
| 300 | A | 94.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 16% | 0.157 | 34% | 0.336 | C | S | . | . | trans | -65.7 | 139.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V281 A282 F296 Q297 E298 M317 | V281-A300 CarbonylContact C-O 3.46Å; V281-A300 WeakPolarHBondContact CA-O 3.4Å; A282-A300 HydrophobicContact CB-CB 4.17Å; A282-A300 PolarHBondContact N-O 2.87Å; F296-A300 HydrophobicContact CB-CB 3.92Å; Q297-A300 WeakPolarHBondContact O-CB 3.1Å; Q297-A300 PolarHBondContact O-N 2.63Å; E298-A300 VanDerWaalsContact C-N 3.33Å; A300-M317 HydrophobicContact CB-SD 3.69Å | ||
| 301 | I | 94.6 | Very high | 94.9 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.1 | 175.1 | -58 | -59.3 | 0 | 0 | 0 | 109.2 | K279 V280 V281 Y303 I332 | K279-I301 HydrophobicContact CD-CG2 4.16Å; K279-I301 VanDerWaalsContact CE-CG2 3.46Å; K279-I301 HydrophobicContact CG-CG2 3.8Å; V280-I301 WeakPolarHBondContact O-CA 3.36Å; V281-I301 HydrophobicContact CB-CD1 4.04Å; V281-I301 HydrophobicContact CG2-CD1 4.1Å; I301-Y303 HydrophobicContact CG2-CE2 4.22Å; I301-I332 HydrophobicContact CD1-CG2 4.48Å |
| 302 | I | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.5 | -178.5 | -47.6 | 173.6 | 0 | 0 | 0 | 108.3 | V280 L294 F296 M317 F324 V329 | V280-I302 HydrophobicContact CG2-CB 3.85Å; V280-I302 WeakPolarHBondContact CG2-O 3.18Å; V280-I302 PolarHBondContact N-O 2.96Å; V280-I302 PolarHBondContact O-N 2.93Å; L294-I302 HydrophobicContact CD2-CD1 4.45Å; L294-I302 HydrophobicContact CD2-CG2 4.01Å; F296-I302 HydrophobicContact CB-CD1 4.42Å; F296-I302 HydrophobicContact CD1-CD1 3.53Å; F296-I302 HydrophobicContact CD2-CD1 4.19Å; F296-I302 HydrophobicContact CE1-CD1 3.71Å; F296-I302 HydrophobicContact CE2-CD1 4.33Å; F296-I302 HydrophobicContact CG-CD1 3.79Å; F296-I302 HydrophobicContact CZ-CD1 4.1Å; I302-M317 HydrophobicContact CG1-CB 4.25Å; I302-M317 HydrophobicContact CG1-CG 4.48Å; I302-M317 HydrophobicContact CG1-SD 4.45Å; I302-M317 HydrophobicContact CG2-CB 4.49Å; I302-F324 HydrophobicContact CB-CZ 4.32Å; I302-F324 HydrophobicContact CD1-CD2 4.47Å; I302-F324 HydrophobicContact CD1-CE2 4.29Å; I302-F324 HydrophobicContact CD1-CZ 4.29Å; I302-F324 HydrophobicContact CG2-CD1 4.41Å; I302-F324 HydrophobicContact CG2-CE1 3.57Å; I302-F324 HydrophobicContact CG2-CZ 3.7Å; I302-V329 HydrophobicContact CD1-CG1 4.23Å |
| 303 | Y | 95.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.5 | 174.8 | -61.7 | -99.8 | 0 | 0 | 0 | 108.2 | D268 W271 A272 P273 Y276 K279 I301 I305 G315 V316 | D268-Y303 VanDerWaalsContact CG-OH 3.29Å; D268-Y303 PolarHBondContact OD1-OH 3.45Å; W271-Y303 HydrophobicContact CH2-CD2 4.02Å; W271-Y303 AromaticContact CH2-CE2 3.58Å; W271-Y303 HydrophobicContact CH2-CE2 3.58Å; W271-Y303 AromaticContact CZ3-CD2 3.72Å; W271-Y303 HydrophobicContact CZ3-CD2 3.72Å; W271-Y303 AromaticContact CZ3-CE2 3.67Å; W271-Y303 HydrophobicContact CZ3-CE2 3.67Å; A272-Y303 HydrophobicContact CB-CD2 4.3Å; A272-Y303 HydrophobicContact CB-CE1 4.1Å; A272-Y303 HydrophobicContact CB-CE2 3.88Å; P273-Y303 HydrophobicContact CG-CG 4.19Å; Y276-Y303 AromaticContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CE1 4.45Å; Y276-Y303 HydrophobicContact CD2-CD1 4.1Å; Y276-Y303 AromaticContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CE1 4.02Å; Y276-Y303 HydrophobicContact CE2-CD1 4.11Å; Y276-Y303 AromaticContact CG-CD1 3.89Å; Y276-Y303 HydrophobicContact CG-CD1 3.89Å; Y276-Y303 AromaticContact CZ-CD1 3.9Å; K279-Y303 HydrophobicContact CD-CD1 4.32Å; K279-Y303 HydrophobicContact CD-CE1 3.73Å; K279-Y303 HydrophobicContact CG-CD1 4.41Å; K279-Y303 HydrophobicContact CG-CE1 4.26Å; K279-Y303 PolarHBondContact NZ-OH 2.8Å; I301-Y303 HydrophobicContact CG2-CE2 4.22Å; Y303-I305 PolarHBondContact O-N 3.33Å; Y303-G315 CarbonylContact O-C 3.5Å; Y303-G315 WeakPolarHBondContact O-CA 3.36Å; Y303-V316 PolarHBondContact N-O 2.79Å; Y303-V316 PolarHBondContact O-N 3.16Å |
| 304 | V | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.9 | -178.6 | -178.4 | 0 | 0 | 0 | 0 | 109 | Y276 L277 E278 V280 K307 Y313 F324 | Y276-V304 CarbonylContact C-O 3.55Å; Y276-V304 WeakPolarHBondContact CA-O 3.35Å; Y276-V304 WeakPolarHBondContact CB-O 3.44Å; L277-V304 PolarHBondContact N-O 3.18Å; E278-V304 HydrophobicContact CB-CB 4.48Å; E278-V304 WeakPolarHBondContact O-CB 3.38Å; E278-V304 PolarHBondContact O-N 3.2Å; V280-V304 HydrophobicContact CB-CG2 4.43Å; V280-V304 HydrophobicContact CG1-CG2 3.7Å; V280-V304 HydrophobicContact CG2-CG2 3.82Å; V304-K307 HydrophobicContact CG1-CG 3.81Å; V304-Y313 HydrophobicContact CG1-CG 4.45Å; V304-Y313 HydrophobicContact CG2-CD2 4.41Å; V304-F324 HydrophobicContact CG2-CZ 4.06Å |
| 305 | I | 95.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -36.2 | 175 | -64 | -179.5 | 0 | 0 | 0 | 110.6 | P273 L277 Y303 E314 V316 | P273-I305 HydrophobicContact CB-CD1 4.24Å; P273-I305 HydrophobicContact CG-CD1 4.39Å; P273-I305 HydrophobicContact CG-CG1 4.35Å; L277-I305 VanDerWaalsContact CD1-O 3.31Å; L277-I305 WeakPolarHBondContact CD1-O 2.97Å; L277-I305 WeakPolarHBondContact CG-O 3.22Å; Y303-I305 PolarHBondContact O-N 3.33Å; I305-E314 PolarHBondContact N-O 3.21Å; I305-V316 HydrophobicContact CD1-CG2 3.33Å; I305-V316 HydrophobicContact CG1-CG2 4.15Å |
| 306 | K | 95.5 | Very high | 95.2 | Very high | 110 Ų | 110 | 54 Ų | 54 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 142.5 | -176.9 | -170.1 | 180 | 174.6 | -176.2 | 0 | 110.9 | N308 Y313 E314 | K306-N308 VanDerWaalsContact CE-OD1 3.3Å; K306-N308 WeakPolarHBondContact CE-OD1 3.46Å; K306-Y313 CarbonylContact O-C 3.49Å; K306-Y313 WeakPolarHBondContact O-CA 3.25Å; K306-E314 HydrophobicContact CB-CB 3.96Å; K306-E314 PolarHBondContact N-O 2.84Å; K306-E314 VanDerWaalsContact N-O 3.11Å; K306-E314 PolarHBondContact O-N 3.49Å |
| 307 | K | 95.8 | Very high | 95.1 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.7 | 168.8 | -62.7 | -173.8 | 175.9 | 178.3 | 0 | 108.4 | L277 E278 V304 Y313 | L277-K307 HydrophobicContact CD1-CG 4.46Å; E278-K307 IonicContact OE2-NZ 2.66Å; E278-K307 PolarHBondContact OE2-NZ 2.92Å; V304-K307 HydrophobicContact CG1-CG 3.81Å; K307-Y313 HydrophobicContact CB-CD1 3.71Å; K307-Y313 HydrophobicContact CB-CE1 3.77Å; K307-Y313 HydrophobicContact CD-CD1 4.25Å; K307-Y313 HydrophobicContact CD-CE1 3.84Å; K307-Y313 HydrophobicContact CD-CE2 4.31Å; K307-Y313 HydrophobicContact CG-CD1 3.58Å; K307-Y313 HydrophobicContact CG-CD2 4.43Å; K307-Y313 HydrophobicContact CG-CE1 3.66Å; K307-Y313 HydrophobicContact CG-CE2 4.47Å; K307-Y313 HydrophobicContact CG-CG 4.01Å |
| 308 | N | 94.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | trans | -91 | 152.3 | 174.7 | -53.1 | -23.9 | 0 | 0 | 0 | 110 | K306 D310 G311 W312 | K306-N308 VanDerWaalsContact CE-OD1 3.3Å; K306-N308 WeakPolarHBondContact CE-OD1 3.46Å; N308-D310 WeakPolarHBondContact CB-OD1 3.38Å; N308-D310 PolarHBondContact O-N 3.39Å; N308-G311 PolarHBondContact O-N 2.81Å; N308-G311 VanDerWaalsContact O-N 3.16Å; N308-W312 VanDerWaalsContact CB-O 3.25Å; N308-W312 WeakPolarHBondContact CB-O 3.34Å; N308-W312 PolarHBondContact N-O 3.32Å | ||
| 309 | D | 92.7 | Very high | 94.7 | Very high | 178 Ų | 178 | 48.4 Ų | 48.4 | 95% | 0.952 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16 | -178 | -58 | -47.6 | 0 | 0 | 0 | 113.4 | G311 | D309-G311 PolarHBondContact O-N 3.17Š|
| 310 | D | 91.8 | Very high | 94.9 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 3.8 | 174.9 | 58.9 | -65.4 | 0 | 0 | 0 | 113.7 | P31 N308 W312 | P31-D310 VanDerWaalsContact CB-O 3.3Å; P31-D310 WeakPolarHBondContact CB-O 3.23Å; N308-D310 WeakPolarHBondContact CB-OD1 3.38Å; N308-D310 PolarHBondContact O-N 3.39Å; D310-W312 VanDerWaalsContact C-N 3.34Å |
| 311 | G | 94.4 | Very high | 94.9 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 85.2 | 7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N308 D309 G326 | N308-G311 PolarHBondContact O-N 2.81Å; N308-G311 VanDerWaalsContact O-N 3.16Å; D309-G311 PolarHBondContact O-N 3.17Å; G311-G326 PolarHBondContact O-N 2.98Å |
| 312 | W | 96.3 | Very high | 95 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.2 | 171.3 | -73.9 | 80 | 0 | 0 | 0 | 111 | P30 P31 S33 Y286 E293 N308 D310 L323 F324 | P30-W312 HydrophobicContact CB-CH2 4.46Å; P30-W312 HydrophobicContact CB-CZ2 4.11Å; P31-W312 HydrophobicContact CG-CG 4.49Å; P31-W312 WeakPolarHBondContact O-CZ2 3.28Å; P31-W312 PolarHBondContact O-NE1 3.04Å; S33-W312 VanDerWaalsContact OG-CE2 3.25Å; S33-W312 WeakPolarHBondContact OG-CZ2 3.33Å; S33-W312 PolarHBondContact OG-NE1 3.33Å; Y286-W312 VanDerWaalsContact OH-CH2 3.24Å; Y286-W312 WeakPolarHBondContact OH-CH2 3.28Å; E293-W312 HydrophobicContact CG-CH2 4.16Å; E293-W312 HydrophobicContact CG-CZ3 3.76Å; N308-W312 VanDerWaalsContact CB-O 3.25Å; N308-W312 WeakPolarHBondContact CB-O 3.34Å; N308-W312 PolarHBondContact N-O 3.32Å; D310-W312 VanDerWaalsContact C-N 3.34Å; W312-L323 HydrophobicContact CE3-CB 3.93Å; W312-L323 HydrophobicContact CZ3-CB 4.37Å; W312-F324 WeakPolarHBondContact CA-O 3.36Å |
| 313 | Y | 97.3 | Very high | 95.1 | Very high | 52 Ų | 52 | 52.2 Ų | 52.2 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.3 | 177.1 | -59.2 | -13.7 | 0 | 0 | 0 | 109.5 | V304 K306 K307 L323 F324 G326 V329 | V304-Y313 HydrophobicContact CG1-CG 4.45Å; V304-Y313 HydrophobicContact CG2-CD2 4.41Å; K306-Y313 CarbonylContact O-C 3.49Å; K306-Y313 WeakPolarHBondContact O-CA 3.25Å; K307-Y313 HydrophobicContact CB-CD1 3.71Å; K307-Y313 HydrophobicContact CB-CE1 3.77Å; K307-Y313 HydrophobicContact CD-CD1 4.25Å; K307-Y313 HydrophobicContact CD-CE1 3.84Å; K307-Y313 HydrophobicContact CD-CE2 4.31Å; K307-Y313 HydrophobicContact CG-CD1 3.58Å; K307-Y313 HydrophobicContact CG-CD2 4.43Å; K307-Y313 HydrophobicContact CG-CE1 3.66Å; K307-Y313 HydrophobicContact CG-CE2 4.47Å; K307-Y313 HydrophobicContact CG-CG 4.01Å; Y313-L323 CarbonylContact O-C 3.45Å; Y313-L323 VanDerWaalsContact O-CA 3.28Å; Y313-L323 WeakPolarHBondContact O-CA 3.35Å; Y313-F324 HydrophobicContact CD2-CE2 4.04Å; Y313-F324 HydrophobicContact CD2-CZ 4.36Å; Y313-F324 HydrophobicContact CG-CE2 4.46Å; Y313-F324 PolarHBondContact N-O 3.27Å; Y313-F324 WeakPolarHBondContact O-CD1 3.34Å; Y313-F324 PolarHBondContact O-N 2.87Å; Y313-G326 VanDerWaalsContact CE2-CA 3.42Å; Y313-V329 HydrophobicContact CD2-CG2 4.3Å; Y313-V329 HydrophobicContact CE2-CG2 4.32Å |
| 314 | E | 97.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 52 Ų | 52 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 129.8 | 167.3 | -169.3 | 179 | 175.8 | 0 | 0 | 107.8 | I305 K306 T321 L323 | I305-E314 PolarHBondContact N-O 3.21Å; K306-E314 HydrophobicContact CB-CB 3.96Å; K306-E314 PolarHBondContact N-O 2.84Å; K306-E314 VanDerWaalsContact N-O 3.11Å; K306-E314 PolarHBondContact O-N 3.49Å; E314-T321 HydrophobicContact CG-CG2 4.08Å; E314-L323 HydrophobicContact CB-CD2 3.97Å; E314-L323 HydrophobicContact CG-CD2 4.43Å |
| 315 | G | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y303 T321 G322 | Y303-G315 CarbonylContact O-C 3.5Å; Y303-G315 WeakPolarHBondContact O-CA 3.36Å; G315-T321 WeakPolarHBondContact O-CA 3.49Å; G315-G322 PolarHBondContact N-O 3.47Å; G315-G322 VanDerWaalsContact N-O 3.08Å; G315-G322 PolarHBondContact O-N 3.18Å |
| 316 | V | 96.4 | Very high | 95.2 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.8 | -174.5 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | W271 P273 Y303 I305 V320 T321 | W271-V316 HydrophobicContact CE3-CG1 4.13Å; W271-V316 HydrophobicContact CZ3-CG1 4.32Å; P273-V316 HydrophobicContact CB-CG2 4.46Å; P273-V316 HydrophobicContact CG-CB 4.09Å; P273-V316 HydrophobicContact CG-CG2 4.06Å; Y303-V316 PolarHBondContact N-O 2.79Å; Y303-V316 PolarHBondContact O-N 3.16Å; I305-V316 HydrophobicContact CD1-CG2 3.33Å; I305-V316 HydrophobicContact CG1-CG2 4.15Å; V316-V320 WeakPolarHBondContact CA-O 3.24Å; V316-T321 HydrophobicContact CG2-CG2 4.29Å |
| 317 | M | 94.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 127.7 | 172.1 | -177.8 | -167.3 | 61.2 | 0 | 0 | 109 | L294 S295 F296 A300 I302 G319 V320 | L294-M317 HydrophobicContact CD1-CB 4.47Å; L294-M317 HydrophobicContact CD1-CE 4.32Å; L294-M317 HydrophobicContact CD2-CB 3.96Å; L294-M317 HydrophobicContact CG-CE 4.49Å; S295-M317 WeakPolarHBondContact O-CE 3.39Å; F296-M317 HydrophobicContact CB-CE 3.74Å; F296-M317 HydrophobicContact CB-SD 3.58Å; F296-M317 VanDerWaalsContact CB-SD 3.58Å; A300-M317 HydrophobicContact CB-SD 3.69Å; I302-M317 HydrophobicContact CG1-CB 4.25Å; I302-M317 HydrophobicContact CG1-CG 4.48Å; I302-M317 HydrophobicContact CG1-SD 4.45Å; I302-M317 HydrophobicContact CG2-CB 4.49Å; M317-G319 PolarHBondContact O-N 2.74Å; M317-G319 VanDerWaalsContact O-N 3.16Å; M317-V320 PolarHBondContact N-O 3.42Å; M317-V320 PolarHBondContact O-N 2.77Å |
| 318 | N | 90.1 | Very high | 95.2 | Very high | 113 Ų | 113 | 43.6 Ų | 43.6 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 35.2 | -179.8 | -60.2 | -49.5 | 0 | 0 | 0 | 113.2 | W271 V320 | W271-N318 VanDerWaalsContact CH2-N 3.3Å; N318-V320 VanDerWaalsContact C-N 3.25Å; N318-V320 PolarHBondContact O-N 3.37Å |
| 319 | G | 90.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | W271 M317 | W271-G319 VanDerWaalsContact CE3-N 3.31Å; M317-G319 PolarHBondContact O-N 2.74Å; M317-G319 VanDerWaalsContact O-N 3.16Å |
| 320 | V | 94.8 | Very high | 95.2 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 126.5 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | L294 V316 M317 N318 | L294-V320 HydrophobicContact CD1-CB 4.08Å; L294-V320 HydrophobicContact CD1-CG1 3.82Å; V316-V320 WeakPolarHBondContact CA-O 3.24Å; M317-V320 PolarHBondContact N-O 3.42Å; M317-V320 PolarHBondContact O-N 2.77Å; N318-V320 VanDerWaalsContact C-N 3.25Å; N318-V320 PolarHBondContact O-N 3.37Å |
| 321 | T | 96.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 38.6 Ų | 38.6 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 140.3 | 174.2 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | E314 G315 V316 | E314-T321 HydrophobicContact CG-CG2 4.08Å; G315-T321 WeakPolarHBondContact O-CA 3.49Å; V316-T321 HydrophobicContact CG2-CG2 4.29Å |
| 322 | G | 96.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.4 | 175.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D292 G315 | D292-G322 CarbonylContact O-C 3.54Å; D292-G322 VanDerWaalsContact O-CA 3.28Å; D292-G322 WeakPolarHBondContact O-CA 3.31Å; G315-G322 PolarHBondContact N-O 3.47Å; G315-G322 VanDerWaalsContact N-O 3.08Å; G315-G322 PolarHBondContact O-N 3.18Å |
| 323 | L | 97.4 | Very high | 93.6 | Very high | 35 Ų | 35 | 46.8 Ų | 46.8 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 140.4 | 177.8 | -68.2 | 177 | 0 | 0 | 0 | 111.9 | D292 E293 L294 W312 Y313 E314 | D292-L323 PolarHBondContact O-N 2.97Å; D292-L323 WeakPolarHBondContact OD2-CD1 3.25Å; E293-L323 CarbonylContact C-O 3.49Å; E293-L323 WeakPolarHBondContact CA-O 3.26Å; E293-L323 WeakPolarHBondContact CB-O 3.34Å; E293-L323 HydrophobicContact CG-CB 4.32Å; L294-L323 PolarHBondContact N-O 2.95Å; W312-L323 HydrophobicContact CE3-CB 3.93Å; W312-L323 HydrophobicContact CZ3-CB 4.37Å; Y313-L323 CarbonylContact O-C 3.45Å; Y313-L323 VanDerWaalsContact O-CA 3.28Å; Y313-L323 WeakPolarHBondContact O-CA 3.35Å; E314-L323 HydrophobicContact CB-CD2 3.97Å; E314-L323 HydrophobicContact CG-CD2 4.43Å |
| 324 | F | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.7 | 173.2 | 62.5 | -85.5 | 0 | 0 | 0 | 112.7 | V280 L294 F296 I302 V304 W312 Y313 G326 V329 | V280-F324 HydrophobicContact CG2-CE2 4.43Å; V280-F324 HydrophobicContact CG2-CZ 4.31Å; L294-F324 HydrophobicContact CD2-CD1 4.14Å; F296-F324 HydrophobicContact CE1-CB 3.54Å; F296-F324 HydrophobicContact CE1-CD2 4.1Å; F296-F324 AromaticContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CZ-CB 4.2Å; F296-F324 HydrophobicContact CZ-CD2 4.23Å; F296-F324 HydrophobicContact CZ-CG 4.48Å; I302-F324 HydrophobicContact CB-CZ 4.32Å; I302-F324 HydrophobicContact CD1-CD2 4.47Å; I302-F324 HydrophobicContact CD1-CE2 4.29Å; I302-F324 HydrophobicContact CD1-CZ 4.29Å; I302-F324 HydrophobicContact CG2-CD1 4.41Å; I302-F324 HydrophobicContact CG2-CE1 3.57Å; I302-F324 HydrophobicContact CG2-CZ 3.7Å; V304-F324 HydrophobicContact CG2-CZ 4.06Å; W312-F324 WeakPolarHBondContact CA-O 3.36Å; Y313-F324 HydrophobicContact CD2-CE2 4.04Å; Y313-F324 HydrophobicContact CD2-CZ 4.36Å; Y313-F324 HydrophobicContact CG-CE2 4.46Å; Y313-F324 PolarHBondContact N-O 3.27Å; Y313-F324 WeakPolarHBondContact O-CD1 3.34Å; Y313-F324 PolarHBondContact O-N 2.87Å; F324-G326 PolarHBondContact O-N 2.9Å; F324-V329 HydrophobicContact CD2-CG1 3.99Å; F324-V329 HydrophobicContact CE2-CB 4.42Å; F324-V329 HydrophobicContact CE2-CG1 3.66Å; F324-V329 HydrophobicContact CE2-CG2 3.88Å |
| 325 | P | 96.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.2 | 179.4 | 29.9 | -39.4 | 0 | 0 | 0 | 112.1 | P30 Y286 N327 Y328 | P30-P325 HydrophobicContact CB-CB 3.56Å; P30-P325 HydrophobicContact CB-CG 3.89Å; Y286-P325 HydrophobicContact CD2-CG 3.64Å; Y286-P325 HydrophobicContact CE2-CG 3.67Å; Y286-P325 HydrophobicContact CG-CG 4.13Å; P325-N327 WeakPolarHBondContact CB-OD1 3.49Å; P325-N327 PolarHBondContact O-N 2.95Å; P325-Y328 HydrophobicContact CB-CD2 3.62Å; P325-Y328 HydrophobicContact CB-CE2 4Å; P325-Y328 HydrophobicContact CB-CG 4.44Å; P325-Y328 HydrophobicContact CG-CD1 4.41Å; P325-Y328 HydrophobicContact CG-CD2 3.22Å; P325-Y328 HydrophobicContact CG-CE2 3.63Å; P325-Y328 HydrophobicContact CG-CG 3.67Å; P325-Y328 PolarHBondContact O-N 2.99Å |
| 326 | G | 95.5 | Very high | 85.9 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -63.4 | -24 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G311 Y313 F324 Y328 V329 | G311-G326 PolarHBondContact O-N 2.98Å; Y313-G326 VanDerWaalsContact CE2-CA 3.42Å; F324-G326 PolarHBondContact O-N 2.9Å; G326-Y328 PolarHBondContact O-N 2.98Å; G326-V329 VanDerWaalsContact O-CG2 3.28Å; G326-V329 WeakPolarHBondContact O-CG2 3.16Å; G326-V329 PolarHBondContact O-N 3.04Å |
| 327 | N | 95.9 | Very high | 82.9 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 31% | 0.305 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -77.1 | 1.6 | 178.5 | 66.8 | -62.4 | 0 | 0 | 0 | 114.4 | P28 P31 P325 | P28-N327 WeakPolarHBondContact CG-ND2 3.48Å; P28-N327 PolarHBondContact O-ND2 3.1Å; P31-N327 WeakPolarHBondContact CD-OD1 3.3Å; P325-N327 WeakPolarHBondContact CB-OD1 3.49Å; P325-N327 PolarHBondContact O-N 2.95Å |
| 328 | Y | 95.5 | Very high | 82.3 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 6% | 0.059 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -100.5 | -0.8 | 176.4 | -78.5 | -117.2 | 0 | 0 | 0 | 112.9 | P27 P28 P30 A282 I283 Y284 D285 Y286 P325 G326 | P27-Y328 HydrophobicContact CB-CE1 3.85Å; P27-Y328 HydrophobicContact CG-CE1 4.49Å; P28-Y328 WeakPolarHBondContact O-CE2 2.95Å; P28-Y328 PolarHBondContact O-OH 3.03Å; P30-Y328 HydrophobicContact CB-CE2 4.22Å; P30-Y328 WeakPolarHBondContact CD-OH 3.3Å; A282-Y328 WeakPolarHBondContact CA-O 3.28Å; I283-Y328 VanDerWaalsContact CG1-O 3.25Å; I283-Y328 WeakPolarHBondContact CG1-O 3.4Å; I283-Y328 PolarHBondContact N-O 2.9Å; Y284-Y328 PolarHBondContact N-O 3.08Å; D285-Y328 WeakPolarHBondContact O-CE1 3.29Å; Y286-Y328 HydrophobicContact CD2-CD1 4.1Å; Y286-Y328 AromaticContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CG-CD1 4.48Å; P325-Y328 HydrophobicContact CB-CD2 3.62Å; P325-Y328 HydrophobicContact CB-CE2 4Å; P325-Y328 HydrophobicContact CB-CG 4.44Å; P325-Y328 HydrophobicContact CG-CD1 4.41Å; P325-Y328 HydrophobicContact CG-CD2 3.22Å; P325-Y328 HydrophobicContact CG-CE2 3.63Å; P325-Y328 HydrophobicContact CG-CG 3.67Å; P325-Y328 PolarHBondContact O-N 2.99Å; G326-Y328 PolarHBondContact O-N 2.98Å |
| 329 | V | 94.4 | Very high | 81.9 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 9% | 0.091 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 156.5 | -173.8 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | V280 V281 F296 I302 Y313 F324 G326 | V280-V329 HydrophobicContact CB-CB 3.95Å; V280-V329 HydrophobicContact CB-CG2 4.07Å; V280-V329 HydrophobicContact CG1-CG2 4.33Å; V280-V329 HydrophobicContact CG2-CB 3.83Å; V280-V329 HydrophobicContact CG2-CG1 4.03Å; V280-V329 HydrophobicContact CG2-CG2 3.93Å; V281-V329 CarbonylContact O-C 3.5Å; V281-V329 VanDerWaalsContact O-CA 3.23Å; V281-V329 WeakPolarHBondContact O-CA 3.42Å; F296-V329 HydrophobicContact CE2-CG1 4.43Å; F296-V329 HydrophobicContact CZ-CG1 4.24Å; I302-V329 HydrophobicContact CD1-CG1 4.23Å; Y313-V329 HydrophobicContact CD2-CG2 4.3Å; Y313-V329 HydrophobicContact CE2-CG2 4.32Å; F324-V329 HydrophobicContact CD2-CG1 3.99Å; F324-V329 HydrophobicContact CE2-CB 4.42Å; F324-V329 HydrophobicContact CE2-CG1 3.66Å; F324-V329 HydrophobicContact CE2-CG2 3.88Å; G326-V329 VanDerWaalsContact O-CG2 3.28Å; G326-V329 WeakPolarHBondContact O-CG2 3.16Å; G326-V329 PolarHBondContact O-N 3.04Å |
| 330 | E | 93.4 | Very high | 81.4 | Confident | 115 Ų | 115 | 78.3 Ų | 78.3 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144.5 | 172.2 | -75 | -178.7 | 177.3 | 0 | 0 | 110.6 | V280 V281 I283 I332 | V280-E330 CarbonylContact C-O 3.54Å; V280-E330 WeakPolarHBondContact CA-O 3.45Å; V280-E330 WeakPolarHBondContact CB-O 3.12Å; V281-E330 HydrophobicContact CG1-CB 4.32Å; V281-E330 PolarHBondContact N-O 3.19Å; V281-E330 PolarHBondContact O-N 2.81Å; I283-E330 HydrophobicContact CD1-CG 4.07Å; I283-E330 HydrophobicContact CG1-CG 4.44Å; I283-E330 HydrophobicContact CG2-CB 4.01Å; I283-E330 HydrophobicContact CG2-CG 3.63Å; E330-I332 PolarHBondContact O-N 3.07Å |
| 331 | S | 91.4 | Very high | 80.6 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 127.6 | 173.4 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | E278 M333 | E278-S331 VanDerWaalsContact CD-OG 3.27Å; E278-S331 WeakPolarHBondContact OE1-CB 3.49Å; E278-S331 PolarHBondContact OE1-OG 3.15Å; S331-M333 PolarHBondContact O-N 3.08Å |
| 332 | I | 84.3 | Confident | 79.6 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 33% | 0.333 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -81.1 | -3.1 | 176.5 | 65.9 | 145.4 | 0 | 0 | 0 | 113.5 | K279 V281 I301 E330 H334 | K279-I332 HydrophobicContact CB-CD1 3.7Å; K279-I332 HydrophobicContact CB-CG1 3.64Å; K279-I332 HydrophobicContact CD-CD1 3.45Å; K279-I332 VanDerWaalsContact CD-CD1 3.45Å; K279-I332 HydrophobicContact CD-CG1 4.31Å; K279-I332 HydrophobicContact CG-CD1 3.41Å; K279-I332 VanDerWaalsContact CG-CD1 3.41Å; K279-I332 HydrophobicContact CG-CG1 3.75Å; K279-I332 WeakPolarHBondContact O-CG1 2.99Å; K279-I332 PolarHBondContact O-N 3.42Å; K279-I332 VanDerWaalsContact O-N 3.11Å; V281-I332 HydrophobicContact CB-CG2 3.72Å; V281-I332 HydrophobicContact CG1-CG2 3.82Å; I301-I332 HydrophobicContact CD1-CG2 4.48Å; E330-I332 PolarHBondContact O-N 3.07Å; I332-H334 PolarHBondContact O-N 3.43Å |
| 333 | M | 72.7 | Confident | 78.5 | Confident | 141 Ų | 141 | 82.7 Ų | 82.7 | 70% | 0.695 | 41% | 0.413 | S | S | * | . | trans | -73.7 | 28.8 | -178.5 | -64.6 | -66.4 | -96.4 | 0 | 0 | 114.4 | S331 | S331-M333 PolarHBondContact O-N 3.08Š| ||
| 334 | H | 50.7 | Low | 77.1 | Confident | 139 Ų | 139 | 86.1 Ų | 86.1 | 64% | 0.644 | 43% | 0.43 | S | S | * | . | trans | -109.8 | 142.9 | 172.8 | -87 | 88.9 | 0 | 0 | 0 | 111.2 | I332 | I332-H334 PolarHBondContact O-N 3.43Š| ||
| 335 | Y | 40.8 | Very low | 75.6 | Confident | 219 Ų | 219 | 92.7 Ų | 92.7 | 86% | 0.859 | 46% | 0.463 | S | S | * | . | trans | 94.4 | 75.7 | 171.6 | -44.8 | -68 | 0 | 0 | 0 | 117 | ||||
| 336 | S | 38.4 | Very low | 73.8 | Confident | 114 Ų | 114 | 100.4 Ų | 100.4 | 80% | 0.797 | 50% | 0.501 | S | S | * | . | trans | -106.6 | 91.8 | 132.4 | 22.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 337 | E | 32.5 | Very low | 71.8 | Confident | 262 Ų | 262 | 108.7 Ų | 108.7 | 100% | 1.224 | 54% | 0.538 | S | S | * | . | trans | -141.2 | 0 | 159.9 | -158.9 | 172.1 | 151.3 | 0 | 0 | 109.7 |
Retrieved 337 of 337 residues in 379 ms
(Link to these results)