| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.8 | Very low | 47.3 | Very low | 224 Ų | 224 | 135.7 Ų | 135.7 | 100% | 1.103 | 82% | 0.815 | S | S | * | * | 0 | 119.2 | 0 | -72.5 | 178 | 165.9 | 0 | 0 | 108.1 | |||||
| 2 | D | 54.3 | Low | 48 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | cis | -151.3 | 125.6 | -12.9 | -84.9 | -48.7 | 0 | 0 | 0 | 110.4 | R4 | D2-R4 PolarHBondContact O-N 3.11Š| ||
| 3 | D | 50.1 | Low | 48.7 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -75.8 | 117.1 | 162.3 | -73.3 | -68.5 | 0 | 0 | 0 | 109.6 | ||||
| 4 | R | 58 | Low | 49.2 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -155.3 | 145.4 | 156.9 | -103.9 | 127 | -160.1 | -94.6 | 0.2 | 112.6 | D2 | D2-R4 PolarHBondContact O-N 3.11Š| ||
| 5 | P | 43.5 | Very low | 49.9 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -89 | 149.8 | -169.1 | 35.3 | -36 | 0 | 0 | 0 | 113.1 | ||||
| 6 | V | 47.9 | Very low | 50.3 | Low | 141 Ų | 141 | 138.7 Ų | 138.7 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | trans | -98.9 | 112.8 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | G8 | V6-G8 PolarHBondContact O-N 2.89Š| ||
| 7 | S | 41.9 | Very low | 51 | Low | 110 Ų | 110 | 139.6 Ų | 139.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -76.3 | 110.1 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | V9 | S7-V9 PolarHBondContact O-N 3.22Š| ||
| 8 | G | 42.3 | Very low | 51.3 | Low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | -88.6 | 99.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V6 G10 | V6-G8 PolarHBondContact O-N 2.89Å; G8-G10 PolarHBondContact O-N 2.95Å | ||
| 9 | V | 43.7 | Very low | 51.5 | Low | 147 Ų | 147 | 136.4 Ų | 136.4 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | trans | -77.5 | 104.2 | 176.7 | 180 | 0 | 0 | 0 | 0 | 110 | S7 | S7-V9 PolarHBondContact O-N 3.22Š| ||
| 10 | G | 46.3 | Very low | 51.8 | Low | 48 Ų | 48 | 133.3 Ų | 133.3 | 50% | 0.495 | 72% | 0.716 | S | S | . | * | trans | -172.5 | 58.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G8 Y12 | G8-G10 PolarHBondContact O-N 2.95Å; G10-Y12 VanDerWaalsContact O-CD2 3.29Å; G10-Y12 WeakPolarHBondContact O-CD2 3.32Å; G10-Y12 PolarHBondContact O-N 3.46Å; G10-Y12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | A | 47.8 | Very low | 52 | Low | 103 Ų | 103 | 134 Ų | 134 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -81.3 | 89.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K13 | A11-K13 PolarHBondContact O-N 2.79Š| ||
| 12 | Y | 55.5 | Low | 52.4 | Low | 185 Ų | 185 | 131.6 Ų | 131.6 | 73% | 0.725 | 70% | 0.703 | S | S | * | * | trans | -70.9 | 112.7 | 169.6 | -59.6 | -85.9 | 0 | 0 | 0 | 110.3 | G10 I14 | G10-Y12 VanDerWaalsContact O-CD2 3.29Å; G10-Y12 WeakPolarHBondContact O-CD2 3.32Å; G10-Y12 PolarHBondContact O-N 3.46Å; G10-Y12 VanDerWaalsContact O-N 3.14Å; Y12-I14 PolarHBondContact O-N 3.44Å; Y12-I14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | K | 56.9 | Low | 52.5 | Low | 212 Ų | 212 | 128 Ų | 128 | 92% | 0.922 | 69% | 0.688 | S | S | * | * | trans | -80.2 | 92 | 170.2 | -74.2 | -167.8 | 175 | -170.2 | 0 | 109.6 | A11 | A11-K13 PolarHBondContact O-N 2.79Š| ||
| 14 | I | 55.8 | Low | 52.8 | Low | 56 Ų | 56 | 125.1 Ų | 125.1 | 29% | 0.287 | 67% | 0.673 | S | S | . | * | trans | -85.6 | 120.5 | 176.2 | -64.5 | 175.9 | 0 | 0 | 0 | 108.3 | Y12 W16 I19 F26 | Y12-I14 PolarHBondContact O-N 3.44Å; Y12-I14 VanDerWaalsContact O-N 3.17Å; I14-W16 HydrophobicContact CG2-CD2 4.1Å; I14-W16 HydrophobicContact CG2-CE3 4.42Å; I14-W16 HydrophobicContact CG2-CH2 4.39Å; I14-W16 HydrophobicContact CG2-CZ2 4.07Å; I14-I19 HydrophobicContact CG2-CD1 3.53Å; I14-F26 HydrophobicContact CD1-CE1 4.34Å | ||
| 15 | N | 60.2 | Low | 52.6 | Low | 76 Ų | 76 | 117.4 Ų | 117.4 | 41% | 0.406 | 65% | 0.653 | S | S | . | * | trans | -96.1 | 104 | 174.7 | -175.3 | 19.7 | 0 | 0 | 0 | 109.4 | D17 E18 I19 | N15-D17 PolarHBondContact O-N 2.77Å; N15-E18 HydrophobicContact CB-CB 4.48Å; N15-E18 VanDerWaalsContact ND2-CD 3.32Å; N15-E18 WeakPolarHBondContact ND2-CG 3.22Å; N15-E18 PolarHBondContact ND2-OE2 3.47Å; N15-E18 PolarHBondContact O-N 2.96Å; N15-E18 VanDerWaalsContact O-N 3.14Å; N15-I19 WeakPolarHBondContact O-CG1 3.36Å | ||
| 16 | W | 55.1 | Low | 52.8 | Low | 197 Ų | 197 | 118.9 Ų | 118.9 | 75% | 0.746 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -65.7 | -23.9 | -171.3 | -61.7 | 95.2 | 0 | 0 | 0 | 113.8 | I14 E18 I19 | I14-W16 HydrophobicContact CG2-CD2 4.1Å; I14-W16 HydrophobicContact CG2-CE3 4.42Å; I14-W16 HydrophobicContact CG2-CH2 4.39Å; I14-W16 HydrophobicContact CG2-CZ2 4.07Å; W16-E18 VanDerWaalsContact C-N 3.28Å; W16-E18 PolarHBondContact O-N 2.86Å; W16-I19 HydrophobicContact CD2-CD1 4.22Å; W16-I19 HydrophobicContact CE3-CD1 3.67Å; W16-I19 HydrophobicContact CZ3-CD1 4.13Å |
| 17 | D | 62.6 | Low | 52.5 | Low | 155 Ų | 155 | 114.6 Ų | 114.6 | 83% | 0.829 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -80.5 | -4.6 | 178.1 | -55.6 | -46.8 | 0 | 0 | 0 | 113.6 | N15 | N15-D17 PolarHBondContact O-N 2.77Š|
| 18 | E | 56.7 | Low | 52.5 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 72% | 0.715 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -113.8 | 11.9 | 177.2 | -74.7 | -179.7 | 131.4 | 0 | 0 | 113.2 | N15 W16 | N15-E18 HydrophobicContact CB-CB 4.48Å; N15-E18 VanDerWaalsContact ND2-CD 3.32Å; N15-E18 WeakPolarHBondContact ND2-CG 3.22Å; N15-E18 PolarHBondContact ND2-OE2 3.47Å; N15-E18 PolarHBondContact O-N 2.96Å; N15-E18 VanDerWaalsContact O-N 3.14Å; W16-E18 VanDerWaalsContact C-N 3.28Å; W16-E18 PolarHBondContact O-N 2.86Å |
| 19 | I | 54.5 | Low | 52.1 | Low | 65 Ų | 65 | 116 Ų | 116 | 33% | 0.333 | 64% | 0.644 | S | S | . | * | trans | -98.8 | 97.4 | 179.5 | -52.1 | 172.9 | 0 | 0 | 0 | 110.1 | I14 N15 W16 | I14-I19 HydrophobicContact CG2-CD1 3.53Å; N15-I19 WeakPolarHBondContact O-CG1 3.36Å; W16-I19 HydrophobicContact CD2-CD1 4.22Å; W16-I19 HydrophobicContact CE3-CD1 3.67Å; W16-I19 HydrophobicContact CZ3-CD1 4.13Å | ||
| 20 | D | 58.8 | Low | 51.7 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 39% | 0.39 | 63% | 0.631 | S | S | . | * | trans | -80.5 | 154.1 | 161.7 | 121.4 | 78.4 | 0 | 0 | 0 | 110.4 | M22 S23 | D20-M22 PolarHBondContact O-N 3.47Å; D20-M22 VanDerWaalsContact O-N 3.15Å; D20-M22 WeakPolarHBondContact OD1-CB 3.14Å; D20-M22 PolarHBondContact OD1-N 2.8Å; D20-S23 WeakPolarHBondContact O-CB 3.48Å; D20-S23 PolarHBondContact O-N 2.83Å; D20-S23 WeakPolarHBondContact OD2-CB 3.48Å; D20-S23 PolarHBondContact OD2-N 3.3Å; D20-S23 PolarHBondContact OD2-OG 2.96Å | ||
| 21 | E | 55 | Low | 51.3 | Low | 148 Ų | 148 | 120.1 Ų | 120.1 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -15 | -177.2 | -64.2 | -169.6 | 145.7 | 0 | 0 | 113.6 | Q152 | E21-Q152 PolarHBondContact OE2-NE2 3.42Š|
| 22 | M | 53.9 | Low | 50.8 | Low | 175 Ų | 175 | 119.1 Ų | 119.1 | 86% | 0.862 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -5.2 | 168.9 | -67.7 | 176 | -79.2 | 0 | 0 | 114.2 | D20 | D20-M22 PolarHBondContact O-N 3.47Å; D20-M22 VanDerWaalsContact O-N 3.15Å; D20-M22 WeakPolarHBondContact OD1-CB 3.14Å; D20-M22 PolarHBondContact OD1-N 2.8Å |
| 23 | S | 55.5 | Low | 49.9 | Very low | 57 Ų | 57 | 118.4 Ų | 118.4 | 40% | 0.399 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -100.7 | 99 | -174 | -73.4 | 0 | 0 | 0 | 0 | 112.6 | D20 P25 | D20-S23 WeakPolarHBondContact O-CB 3.48Å; D20-S23 PolarHBondContact O-N 2.83Å; D20-S23 WeakPolarHBondContact OD2-CB 3.48Å; D20-S23 PolarHBondContact OD2-N 3.3Å; D20-S23 PolarHBondContact OD2-OG 2.96Å; S23-P25 WeakPolarHBondContact O-CD 3.39Å; S23-P25 VanDerWaalsContact O-N 3.08Å |
| 24 | N | 56.3 | Low | 48.7 | Very low | 101 Ų | 101 | 114 Ų | 114 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | trans | -54.7 | 109.4 | -179.4 | 174.6 | 20.4 | 0 | 0 | 0 | 113.1 | F26 G27 | N24-F26 PolarHBondContact O-N 3.12Å; N24-F26 WeakPolarHBondContact OD1-CA 3.46Å; N24-F26 PolarHBondContact OD1-N 2.92Å; N24-G27 PolarHBondContact ND2-N 3.13Å; N24-G27 PolarHBondContact ND2-O 2.89Å; N24-G27 PolarHBondContact O-N 3.33Å | ||
| 25 | P | 55.1 | Low | 47.8 | Very low | 66 Ų | 66 | 118.1 Ų | 118.1 | 43% | 0.429 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -12.6 | -179.9 | 31 | -34.6 | 0 | 0 | 0 | 112.9 | S23 | S23-P25 WeakPolarHBondContact O-CD 3.39Å; S23-P25 VanDerWaalsContact O-N 3.08Å |
| 26 | F | 48.2 | Very low | 46.5 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 29.9 | 176.5 | -57.8 | -68.1 | 0 | 0 | 0 | 112.8 | I14 N24 | I14-F26 HydrophobicContact CD1-CE1 4.34Å; N24-F26 PolarHBondContact O-N 3.12Å; N24-F26 WeakPolarHBondContact OD1-CA 3.46Å; N24-F26 PolarHBondContact OD1-N 2.92Å |
| 27 | G | 40.3 | Very low | 45.6 | Very low | 50 Ų | 50 | 121 Ų | 121 | 52% | 0.515 | 70% | 0.702 | S | S | . | * | trans | 98 | 132.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | N24 | N24-G27 PolarHBondContact ND2-N 3.13Å; N24-G27 PolarHBondContact ND2-O 2.89Å; N24-G27 PolarHBondContact O-N 3.33Å | ||
| 28 | S | 42.8 | Very low | 44.5 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -148.3 | 93.2 | 141.8 | -168 | 0 | 0 | 0 | 0 | 109 | G30 | S28-G30 PolarHBondContact O-N 3.35Š| ||
| 29 | G | 34.4 | Very low | 43.7 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 95% | 0.948 | 69% | 0.694 | S | S | * | * | trans | -80.7 | 99.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 30 | G | 35.3 | Very low | 42.9 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | trans | 172.1 | 106.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | S28 | S28-G30 PolarHBondContact O-N 3.35Š| ||
| 31 | K | 37.9 | Very low | 42 | Very low | 220 Ų | 220 | 125.3 Ų | 125.3 | 96% | 0.957 | 73% | 0.729 | S | S | * | * | trans | 69.2 | 111.4 | 143.5 | -50.9 | 171.1 | -174.2 | 175 | 0 | 118.5 | ||||
| 32 | G | 35.7 | Very low | 41.1 | Very low | 82 Ų | 82 | 124.6 Ų | 124.6 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | 166.2 | 78.1 | 161 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 33 | L | 36.5 | Very low | 40.3 | Very low | 171 Ų | 171 | 122.4 Ų | 122.4 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | -76.3 | 148.3 | 174.3 | -80.4 | 164.6 | 0 | 0 | 0 | 112.1 | ||||
| 34 | P | 33.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -79.8 | 143.1 | -165.1 | 30.6 | -36.4 | 0 | 0 | 0 | 114.8 | K36 | P34-K36 PolarHBondContact O-N 3.35Š| ||
| 35 | V | 35.9 | Very low | 38.5 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -86.3 | 94.2 | 175.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | N37 | V35-N37 PolarHBondContact O-N 2.93Š| ||
| 36 | K | 33.6 | Very low | 37.8 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -14.2 | 121.2 | 146.9 | 176.2 | -176.1 | -177 | 177.1 | 0 | 115.2 | P34 | P34-K36 PolarHBondContact O-N 3.35Š| ||
| 37 | N | 35.4 | Very low | 37.3 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | -155.6 | 124.8 | 128.7 | -99.3 | -24.5 | 0 | 0 | 0 | 113.1 | V35 | V35-N37 PolarHBondContact O-N 2.93Š| |||
| 38 | Q | 40.8 | Very low | 37.4 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -98.7 | -162.5 | 170.9 | -128.1 | -155.2 | 58.3 | 0 | 0 | 107.1 | ||||
| 39 | P | 39.4 | Very low | 37.2 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 58% | 0.584 | 80% | 0.798 | S | S | * | * | cis | -140.4 | -173.6 | 8 | 29 | -2.5 | 0 | 0 | 0 | 116.5 | ||||
| 40 | K | 37.7 | Very low | 37.4 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 90.3 | 138.3 | 152.4 | -55.1 | -170 | -174.9 | 178.6 | 0 | 119.3 | ||||
| 41 | S | 38.5 | Very low | 37.6 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | cis | -175.3 | 153.2 | -14 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 42 | V | 38.1 | Very low | 37.9 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | 70.3 | 150.6 | 161.6 | -161.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 43 | T | 36.5 | Very low | 38.3 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | -179.6 | 139.3 | -54.3 | -82.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 44 | E | 33.5 | Very low | 38.7 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | -54.9 | -179.4 | 173.3 | -83.6 | -170 | 119.4 | 0 | 0 | 117.9 | ||||
| 45 | P | 40.9 | Very low | 39.2 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | cis | -142.4 | -165.4 | -34 | 37.5 | -18 | 0 | 0 | 0 | 114 | ||||
| 46 | S | 39.1 | Very low | 39.7 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 114.4 | 145.6 | 145.3 | -67.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 47 | P | 39.3 | Very low | 40.2 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -119.9 | 151.5 | -165.6 | 40.6 | -27.1 | 0 | 0 | 0 | 115.9 | ||||
| 48 | Q | 42 | Very low | 40.5 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 94% | 0.944 | 76% | 0.761 | S | S | * | * | trans | -165.3 | 131.4 | 161 | -119.6 | 175.4 | 17 | 0 | 0 | 115.6 | ||||
| 49 | G | 37.2 | Very low | 40.6 | Very low | 83 Ų | 83 | 132 Ų | 132 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 90.4 | 134.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 50 | G | 38.9 | Very low | 40.6 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | 98 | 95.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 51 | R | 40.8 | Very low | 40.6 | Very low | 245 Ų | 245 | 130.5 Ų | 130.5 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | 49 | 118 | 82.3 | -70.7 | -170.8 | 169.4 | -169.6 | -2.8 | 112.9 | |||||
| 52 | S | 43.6 | Very low | 40.8 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | -172 | 159.5 | 54.9 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 53 | N | 44.6 | Very low | 40.5 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 39.9 | 144.7 | 132.7 | -66 | 52.3 | 0 | 0 | 0 | 121.5 | ||||
| 54 | D | 44.7 | Very low | 40.7 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | cis | -162.5 | 158.8 | 2.8 | -99.7 | -28.8 | 0 | 0 | 0 | 110.4 | ||||
| 55 | N | 44 | Very low | 41.2 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 60.1 | 151 | 148.6 | -80.8 | -18.3 | 0 | 0 | 0 | 121.3 | ||||
| 56 | I | 46.4 | Very low | 41 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | cis | -162.9 | 168.1 | -19.9 | -151.7 | 172.1 | 0 | 0 | 0 | 109.2 | ||||
| 57 | N | 43.2 | Very low | 41.5 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 64.7 | 98 | 163.5 | -67.6 | -6.1 | 0 | 0 | 0 | 120.9 | ||||
| 58 | Q | 42.3 | Very low | 41.6 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -39.8 | 174.6 | 131.9 | -108 | -173.3 | 77.5 | 0 | 0 | 115.2 | ||||
| 59 | P | 42.4 | Very low | 41.9 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | cis | -140.5 | -163.7 | 2.5 | 35.9 | -13 | 0 | 0 | 0 | 116.3 | ||||
| 60 | T | 39.1 | Very low | 42.3 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | 85.6 | 116.6 | 145.6 | 38.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 61 | N | 38.9 | Very low | 42.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | 107.5 | 113.9 | 125.4 | -75.1 | -13.7 | 0 | 0 | 0 | 122 | |||||
| 62 | L | 41.3 | Very low | 42.8 | Very low | 158 Ų | 158 | 137 Ų | 137 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 71.3 | 103.3 | 134.7 | -59.9 | 171.7 | 0 | 0 | 0 | 119.3 | ||||
| 63 | S | 32.8 | Very low | 42.5 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -90.2 | 124.4 | 153.6 | -51 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 64 | V | 39.7 | Very low | 42.3 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | -150 | 115.7 | 147.2 | -178 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 65 | D | 44.3 | Very low | 42 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -159.9 | 160.3 | 128.1 | -148.9 | -13 | 0 | 0 | 0 | 109.9 | |||||
| 66 | S | 37.1 | Very low | 41.8 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -158.6 | 123.4 | -179.3 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 67 | N | 49.6 | Very low | 41.5 | Very low | 155 Ų | 155 | 147 Ų | 147 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -143 | 112.9 | 179.4 | -163.9 | 11.1 | 0 | 0 | 0 | 111.9 | ||||
| 68 | P | 41.1 | Very low | 41.2 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -99.2 | 146.1 | 176.8 | 36.2 | -31.1 | 0 | 0 | 0 | 112.6 | ||||
| 69 | E | 48.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -122.3 | 177 | 175.7 | -131.5 | -174.3 | 140 | 0 | 0 | 114.4 | ||||
| 70 | K | 45.8 | Very low | 41.1 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -98 | 150.4 | -143.4 | -72.4 | 176.5 | 177.1 | 170.4 | 0 | 118.2 | ||||
| 71 | L | 42.9 | Very low | 41.2 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -60.1 | 177.2 | 156.6 | -66.1 | 165.7 | 0 | 0 | 0 | 113.6 | ||||
| 72 | P | 45.7 | Very low | 41.2 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | -150.7 | -165 | -52 | 46.7 | -29.2 | 0 | 0 | 0 | 115.2 | |||||
| 73 | K | 38.8 | Very low | 41.1 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | 69 | 120.9 | 147 | -73.9 | 174.7 | -176.2 | -179.1 | 0 | 123.1 | ||||
| 74 | K | 39.7 | Very low | 41.4 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | -169.9 | 113.2 | 129.6 | -104.7 | 176.1 | 179.4 | 179.6 | 0 | 108.2 | |||||
| 75 | S | 37.7 | Very low | 41.4 | Very low | 114 Ų | 114 | 147.2 Ų | 147.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | 92.6 | 127.2 | 75.6 | -70 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 76 | P | 40.6 | Very low | 41 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -114.8 | 177.1 | -165.5 | 43.4 | -36.3 | 0 | 0 | 0 | 115.9 | ||||
| 77 | Q | 40.9 | Very low | 41.1 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -153.8 | 99.5 | 172.4 | -161.8 | 166.8 | 5.4 | 0 | 0 | 115.8 | ||||
| 78 | N | 35.6 | Very low | 40.4 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 21 | 160.8 | 130.5 | -124.7 | 23.3 | 0 | 0 | 0 | 122.7 | ||||
| 79 | P | 43 | Very low | 40.2 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | -143.1 | -152.1 | -71.4 | 44.8 | -25.8 | 0 | 0 | 0 | 114.6 | |||||
| 80 | Q | 40.4 | Very low | 39.5 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 100.9 | 161.9 | 148 | -105.6 | -148 | 16.5 | 0 | 0 | 120.5 | ||||
| 81 | P | 40.4 | Very low | 39 | Very low | 84 Ų | 84 | 144.8 Ų | 144.8 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | -147.9 | -170.2 | -92.2 | 48.9 | -30.3 | 0 | 0 | 0 | 119.6 | |||||
| 82 | L | 38.4 | Very low | 38.6 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | 71.2 | 169.3 | 151.7 | -73.6 | 168.7 | 0 | 0 | 0 | 119.1 | ||||
| 83 | P | 40.2 | Very low | 38.3 | Very low | 88 Ų | 88 | 144.2 Ų | 144.2 | 57% | 0.571 | 79% | 0.79 | S | S | * | * | cis | -146.2 | -175.8 | -38.9 | 41.3 | -23.7 | 0 | 0 | 0 | 117.9 | ||||
| 84 | K | 38.5 | Very low | 38.3 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 84.6 | 141.8 | 160.4 | -59.7 | 157.4 | -174.3 | 172.6 | 0 | 116.6 | ||||
| 85 | S | 39.6 | Very low | 38 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | cis | -158.6 | 179.2 | 41.2 | 50.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 86 | L | 36.5 | Very low | 38.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -103.4 | 171.1 | 179.4 | -113.9 | 79.8 | 0 | 0 | 0 | 111.3 | ||||
| 87 | P | 38.7 | Very low | 38 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | -160.4 | 165 | 53.6 | 43.9 | -21.2 | 0 | 0 | 0 | 122.3 | |||||
| 88 | K | 35.1 | Very low | 37.6 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 31.3 | 133.7 | 138.8 | -58.3 | 177.8 | 179.2 | -179.5 | 0 | 123.2 | ||||
| 89 | S | 37.8 | Very low | 37.9 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | -152.4 | 168.3 | 124.5 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 90 | N | 32.9 | Very low | 37.8 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -119.9 | 161.8 | -168.4 | -51.8 | -19.6 | 0 | 0 | 0 | 112.5 | ||||
| 91 | N | 36 | Very low | 38.2 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -164.7 | 159.8 | 131.8 | -100.2 | -20.7 | 0 | 0 | 0 | 111.9 | ||||
| 92 | S | 34.4 | Very low | 38.3 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -132.1 | 152.2 | -166.7 | -45.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 93 | T | 39.6 | Very low | 38.3 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -146.4 | 158.9 | 159.5 | -28.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 94 | E | 37.6 | Very low | 38.3 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -54.1 | 153.7 | -172.1 | -66.4 | 145.1 | 102.4 | 0 | 0 | 116.3 | ||||
| 95 | V | 34 | Very low | 38.3 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | cis | 87 | 102.8 | 32.8 | 179.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 96 | K | 40.6 | Very low | 38.4 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -175.2 | 110 | 149.4 | -103.2 | 163.9 | -177.5 | 175.5 | 0 | 107.5 | ||||
| 97 | Q | 37.1 | Very low | 38.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | 93 | 133.1 | 72.1 | -84.3 | -174.3 | -16.9 | 0 | 0 | 114.4 | |||||
| 98 | S | 34 | Very low | 39 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -81.6 | -174.9 | -174.2 | -120.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 99 | P | 40.4 | Very low | 39.3 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -146.8 | 161 | 25.5 | 42.2 | -21.4 | 0 | 0 | 0 | 121.1 | ||||
| 100 | N | 42.4 | Very low | 39.5 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 49.1 | 149.2 | 138.7 | -61.6 | 3.5 | 0 | 0 | 0 | 125.2 | ||||
| 101 | P | 48 | Very low | 39.9 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -117 | 178.6 | 177.5 | 44.7 | -35.4 | 0 | 0 | 0 | 115.8 | ||||
| 102 | P | 43.2 | Very low | 40 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -122.3 | -176.4 | 152.8 | 39.7 | -28.3 | 0 | 0 | 0 | 112.4 | ||||
| 103 | S | 36.8 | Very low | 39.9 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | cis | 176.7 | 151 | -46.3 | -83.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 104 | S | 40.6 | Very low | 39.7 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 67.1 | 160.5 | 176.4 | -54.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 105 | E | 39.6 | Very low | 39.8 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | cis | -128.6 | 154.6 | 5.6 | -68.9 | 178.3 | 134.4 | 0 | 0 | 109 | ||||
| 106 | A | 41 | Very low | 40 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | cis | 109.2 | 114.2 | 21.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 107 | S | 45.7 | Very low | 40.3 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | trans | -176.1 | 123.6 | 162.6 | -84 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 108 | P | 41.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -131.2 | 150.8 | -178.6 | 40.2 | -26.7 | 0 | 0 | 0 | 117.9 | ||||
| 109 | V | 43 | Very low | 40.6 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -158.2 | 126.6 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 110 | V | 40.7 | Very low | 40.4 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | cis | 81.9 | 123.6 | 4.5 | -163.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 111 | V | 40.9 | Very low | 40.3 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | cis | -101.4 | -130 | 12.7 | -145.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 112 | N | 38.7 | Very low | 39.6 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | cis | -154.6 | 170.2 | 1.9 | -152.9 | 85.1 | 0 | 0 | 0 | 112.2 | ||||
| 113 | E | 33.4 | Very low | 39.2 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -102.3 | -174.4 | 173.2 | -53.4 | -179.7 | 73.6 | 0 | 0 | 111.2 | ||||
| 114 | Q | 34.5 | Very low | 39.2 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | cis | -165.6 | 150 | 15 | -146.3 | 155.9 | 51.5 | 0 | 0 | 109.7 | ||||
| 115 | D | 39.6 | Very low | 38.8 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | 158.4 | 162.5 | 124.1 | -136.6 | -23.4 | 0 | 0 | 0 | 114.4 | |||||
| 116 | V | 38.2 | Very low | 38.9 | Very low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -157 | -163.4 | -171.8 | -126 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 117 | P | 47.8 | Very low | 38.4 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 59% | 0.591 | 78% | 0.776 | S | S | * | * | cis | -132.3 | -164.8 | -32.3 | 28.4 | -5.2 | 0 | 0 | 0 | 113.3 | ||||
| 118 | K | 39.9 | Very low | 37.9 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 84.8 | 135.7 | 164.7 | -51.5 | 156.8 | -174.6 | 169.6 | 0 | 113.8 | ||||
| 119 | N | 36.4 | Very low | 37.4 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | cis | -149.7 | 147.2 | 43 | -164.1 | 28.3 | 0 | 0 | 0 | 116 | ||||
| 120 | V | 35.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | -13.6 | 132.2 | 156.5 | 174.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 121 | Q | 40.2 | Very low | 36.4 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | -161.6 | 166.9 | 109.6 | -134.1 | 147.5 | 33.2 | 0 | 0 | 115.2 | |||||
| 122 | K | 34.6 | Very low | 36 | Very low | 207 Ų | 207 | 144.5 Ų | 144.5 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | trans | -82.1 | 142.3 | -177.7 | -60.4 | 172.4 | 178.6 | 176.7 | 0 | 111.2 | ||||
| 123 | G | 34.5 | Very low | 35.9 | Very low | 73 Ų | 73 | 146.2 Ų | 146.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -170.9 | 108.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 124 | N | 35.8 | Very low | 36.1 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 24.8 | 123.3 | 160.4 | -60.5 | -3.6 | 0 | 0 | 0 | 121 | P126 | N124-P126 WeakPolarHBondContact O-CD 3.45Š| ||
| 125 | I | 32.6 | Very low | 36.2 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 133.1 | 155.5 | -60.7 | 159.9 | 0 | 0 | 0 | 109.5 | ||||
| 126 | P | 41.4 | Very low | 36.3 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -105.1 | 117.4 | 155.4 | 7.9 | 13.4 | 0 | 0 | 0 | 109.7 | N124 C128 | N124-P126 WeakPolarHBondContact O-CD 3.45Å; P126-C128 PolarHBondContact O-N 2.8Å | ||
| 127 | Q | 31.3 | Very low | 36.3 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 119.1 | 159.2 | -70.5 | 176.5 | -79.1 | 0 | 0 | 107.8 | ||||
| 128 | C | 34.8 | Very low | 36.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -107.6 | 98.4 | 170.2 | -165 | 0 | 0 | 0 | 0 | 108.9 | P126 | P126-C128 PolarHBondContact O-N 2.8Š| ||
| 129 | N | 31.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | trans | -90.5 | 109.3 | 175.7 | -73 | -21.6 | 0 | 0 | 0 | 109.7 | ||||
| 130 | G | 30.3 | Very low | 36.9 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 62.7 | 107.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 131 | E | 31.3 | Very low | 37.6 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -139.7 | 151.5 | 140.7 | -141.8 | 171.3 | 137.2 | 0 | 0 | 109.8 | ||||
| 132 | L | 33.1 | Very low | 38.2 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -78.7 | 121.1 | -178.5 | -84.9 | 69.9 | 0 | 0 | 0 | 109.8 | ||||
| 133 | L | 36.6 | Very low | 39.5 | Very low | 175 Ų | 175 | 125.4 Ų | 125.4 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | trans | -96.1 | 99.8 | 161.7 | -153.2 | 75.3 | 0 | 0 | 0 | 109.3 | ||||
| 134 | A | 37.2 | Very low | 40.6 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | -67.6 | 135.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 135 | T | 38 | Very low | 42 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -63.1 | 134.3 | 175.3 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | T137 | T135-T137 PolarHBondContact O-N 3.32Å; T135-T137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | P | 41.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -67.6 | 111.6 | 169 | 28.5 | -32.3 | 0 | 0 | 0 | 109.1 | ||||
| 137 | T | 37.2 | Very low | 44.5 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130.3 | 172.7 | -47.4 | 0 | 0 | 0 | 0 | 109.2 | T135 Q139 | T135-T137 PolarHBondContact O-N 3.32Å; T135-T137 VanDerWaalsContact O-N 3.13Å; T137-Q139 PolarHBondContact O-N 2.86Å |
| 138 | P | 44.6 | Very low | 46 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 76% | 0.76 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 129.3 | 173.5 | -24.5 | 34.2 | 0 | 0 | 0 | 110.5 | S140 | P138-S140 PolarHBondContact O-N 3.41Š|
| 139 | Q | 45.8 | Very low | 47.4 | Very low | 188 Ų | 188 | 116.5 Ų | 116.5 | 88% | 0.879 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 129.9 | 168.1 | -69.4 | -174.7 | -13.9 | 0 | 0 | 108.1 | T137 I141 | T137-Q139 PolarHBondContact O-N 2.86Å; Q139-I141 PolarHBondContact O-N 3.21Å |
| 140 | S | 47.2 | Very low | 48.8 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 125.9 | -170.1 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | P138 | P138-S140 PolarHBondContact O-N 3.41Š|
| 141 | I | 49.6 | Very low | 50.3 | Low | 118 Ų | 118 | 112.3 Ų | 112.3 | 61% | 0.605 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 133.2 | 149.9 | -55.8 | 170.3 | 0 | 0 | 0 | 105.6 | Q139 S143 | Q139-I141 PolarHBondContact O-N 3.21Å; I141-S143 PolarHBondContact O-N 2.84Å |
| 142 | P | 53.8 | Low | 51.8 | Low | 54 Ų | 54 | 106.5 Ų | 106.5 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 134.6 | 175.3 | 24.6 | -33.5 | 0 | 0 | 0 | 109.1 | E146 I147 | P142-E146 VanDerWaalsContact CA-OE2 3.23Å; P142-E146 WeakPolarHBondContact CA-OE2 3.3Å; P142-E146 HydrophobicContact CB-CB 4.37Å; P142-I147 HydrophobicContact CB-CG1 4.44Å; P142-I147 HydrophobicContact CG-CD1 4.41Å; P142-I147 HydrophobicContact CG-CG1 4.44Å |
| 143 | S | 60.8 | Low | 52.9 | Low | 31 Ų | 31 | 101.8 Ų | 101.8 | 22% | 0.217 | 59% | 0.594 | C | S | . | * | P | Polyproline II helix | trans | -57.6 | 147.6 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | I141 E145 E146 I147 | I141-S143 PolarHBondContact O-N 2.84Å; S143-E145 PolarHBondContact O-N 3.47Å; S143-E145 WeakPolarHBondContact OG-CB 3.36Å; S143-E145 PolarHBondContact OG-N 3.08Å; S143-E145 PolarHBondContact OG-OE2 3.32Å; S143-E146 PolarHBondContact N-OE2 3.29Å; S143-E146 PolarHBondContact O-N 3.48Å; S143-I147 PolarHBondContact O-N 3.15Å |
| 144 | P | 56.9 | Low | 53.9 | Low | 98 Ų | 98 | 96.3 Ų | 96.3 | 64% | 0.636 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -47.6 | -30.3 | 162.8 | -28 | 36.4 | 0 | 0 | 0 | 112.4 | I147 C148 | P144-I147 PolarHBondContact O-N 3.33Å; P144-C148 WeakPolarHBondContact O-CB 3.39Å; P144-C148 PolarHBondContact O-N 2.92Å; P144-C148 PolarHBondContact O-SG 2.92Å |
| 145 | E | 66.4 | Low | 54.9 | Low | 144 Ų | 144 | 95.4 Ų | 95.4 | 67% | 0.673 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -46.1 | 173.6 | -60 | 155.7 | 136.8 | 0 | 0 | 112.6 | S143 I147 C148 E149 | S143-E145 PolarHBondContact O-N 3.47Å; S143-E145 WeakPolarHBondContact OG-CB 3.36Å; S143-E145 PolarHBondContact OG-N 3.08Å; S143-E145 PolarHBondContact OG-OE2 3.32Å; E145-I147 VanDerWaalsContact C-N 3.29Å; E145-I147 PolarHBondContact O-N 3.06Å; E145-C148 CarbonylContact O-C 3.58Å; E145-C148 WeakPolarHBondContact O-CB 3.43Å; E145-C148 PolarHBondContact O-N 3.16Å; E145-C148 VanDerWaalsContact O-N 3.12Å; E145-E149 PolarHBondContact O-N 2.65Å |
| 146 | E | 62.5 | Low | 55.6 | Low | 110 Ų | 110 | 94.4 Ų | 94.4 | 51% | 0.514 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.3 | -32.3 | 177.5 | -66.5 | 174 | 118.3 | 0 | 0 | 111.4 | P142 S143 A150 | P142-E146 VanDerWaalsContact CA-OE2 3.23Å; P142-E146 WeakPolarHBondContact CA-OE2 3.3Å; P142-E146 HydrophobicContact CB-CB 4.37Å; S143-E146 PolarHBondContact N-OE2 3.29Å; S143-E146 PolarHBondContact O-N 3.48Å; E146-A150 WeakPolarHBondContact O-CB 3.27Å; E146-A150 PolarHBondContact O-N 3.17Å |
| 147 | I | 64 | Low | 56 | Low | 36 Ų | 36 | 94.3 Ų | 94.3 | 19% | 0.185 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 171.5 | -61.9 | 165.9 | 0 | 0 | 0 | 110.3 | P142 S143 P144 E145 A150 L151 Q375 | P142-I147 HydrophobicContact CB-CG1 4.44Å; P142-I147 HydrophobicContact CG-CD1 4.41Å; P142-I147 HydrophobicContact CG-CG1 4.44Å; S143-I147 PolarHBondContact O-N 3.15Å; P144-I147 PolarHBondContact O-N 3.33Å; E145-I147 VanDerWaalsContact C-N 3.29Å; E145-I147 PolarHBondContact O-N 3.06Å; I147-A150 PolarHBondContact O-N 2.8Å; I147-L151 HydrophobicContact CG2-CD1 4.14Å; I147-L151 VanDerWaalsContact O-CG 3.24Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.4Å; I147-L151 VanDerWaalsContact O-N 3.13Å; I147-Q375 VanDerWaalsContact CD1-OE1 3.29Å |
| 148 | C | 61.6 | Low | 56.6 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 175.2 | -78.8 | 0 | 0 | 0 | 0 | 112.8 | P144 E145 A150 L151 Q152 | P144-C148 WeakPolarHBondContact O-CB 3.39Å; P144-C148 PolarHBondContact O-N 2.92Å; P144-C148 PolarHBondContact O-SG 2.92Å; E145-C148 CarbonylContact O-C 3.58Å; E145-C148 WeakPolarHBondContact O-CB 3.43Å; E145-C148 PolarHBondContact O-N 3.16Å; E145-C148 VanDerWaalsContact O-N 3.12Å; C148-A150 VanDerWaalsContact C-N 3.29Å; C148-A150 PolarHBondContact O-N 2.88Å; C148-L151 PolarHBondContact O-N 2.88Å; C148-Q152 PolarHBondContact O-N 3.38Å |
| 149 | E | 65.5 | Low | 56.9 | Low | 150 Ų | 150 | 89.1 Ų | 89.1 | 70% | 0.701 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.4 | -43.8 | 173.4 | -73.5 | -168.1 | 149.5 | 0 | 0 | 111.3 | E145 L151 Q152 S153 | E145-E149 PolarHBondContact O-N 2.65Å; E149-L151 PolarHBondContact O-N 3.35Å; E149-Q152 PolarHBondContact O-N 2.75Å; E149-S153 PolarHBondContact O-N 3.39Å |
| 150 | A | 61.2 | Low | 56.8 | Low | 62 Ų | 62 | 87.6 Ų | 87.6 | 51% | 0.512 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -21.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E146 I147 C148 V154 | E146-A150 WeakPolarHBondContact O-CB 3.27Å; E146-A150 PolarHBondContact O-N 3.17Å; I147-A150 PolarHBondContact O-N 2.8Å; C148-A150 VanDerWaalsContact C-N 3.29Å; C148-A150 PolarHBondContact O-N 2.88Å; A150-V154 WeakPolarHBondContact O-CG2 3.17Å |
| 151 | L | 62.1 | Low | 56.7 | Low | 67 Ų | 67 | 87.1 Ų | 87.1 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -88.6 | -40.9 | 175 | -70.4 | 168.1 | 0 | 0 | 0 | 112.4 | I147 C148 E149 S153 V154 I155 L368 | I147-L151 HydrophobicContact CG2-CD1 4.14Å; I147-L151 VanDerWaalsContact O-CG 3.24Å; I147-L151 WeakPolarHBondContact O-CG 3.45Å; I147-L151 PolarHBondContact O-N 3.4Å; I147-L151 VanDerWaalsContact O-N 3.13Å; C148-L151 PolarHBondContact O-N 2.88Å; E149-L151 PolarHBondContact O-N 3.35Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 2.9Å; L151-V154 PolarHBondContact O-N 3.39Å; L151-I155 PolarHBondContact O-N 3.46Å; L151-L368 HydrophobicContact CD2-CD1 3.66Å |
| 152 | Q | 62.8 | Low | 56.4 | Low | 73 Ų | 73 | 88.2 Ų | 88.2 | 34% | 0.341 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 178.7 | -159.2 | 70.8 | 18.3 | 0 | 0 | 111.1 | E21 C148 E149 V154 I155 D156 | E21-Q152 PolarHBondContact OE2-NE2 3.42Å; C148-Q152 PolarHBondContact O-N 3.38Å; E149-Q152 PolarHBondContact O-N 2.75Å; Q152-V154 PolarHBondContact O-N 3.05Å; Q152-I155 WeakPolarHBondContact O-CA 3.26Å; Q152-I155 WeakPolarHBondContact O-CB 3.44Å; Q152-I155 PolarHBondContact O-N 2.84Å; Q152-D156 PolarHBondContact O-N 3.3Å; Q152-D156 VanDerWaalsContact O-N 3.14Å |
| 153 | S | 56.1 | Low | 55.9 | Low | 72 Ų | 72 | 91.8 Ų | 91.8 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -18.2 | 174 | 178.6 | 0 | 0 | 0 | 0 | 114.5 | E149 L151 | E149-S153 PolarHBondContact O-N 3.39Å; L151-S153 VanDerWaalsContact C-N 3.29Å; L151-S153 PolarHBondContact O-N 2.9Å |
| 154 | V | 57.5 | Low | 55 | Low | 59 Ų | 59 | 96.7 Ų | 96.7 | 36% | 0.358 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9 | 177.2 | -152.9 | 0 | 0 | 0 | 0 | 111.9 | A150 L151 Q152 K364 | A150-V154 WeakPolarHBondContact O-CG2 3.17Å; L151-V154 PolarHBondContact O-N 3.39Å; Q152-V154 PolarHBondContact O-N 3.05Å; V154-K364 HydrophobicContact CG1-CD 3.84Å; V154-K364 HydrophobicContact CG1-CG 4.07Å; V154-K364 PolarHBondContact O-NZ 3.26Å |
| 155 | I | 58.4 | Low | 54.4 | Low | 70 Ų | 70 | 98.7 Ų | 98.7 | 36% | 0.359 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -43.3 | 173.6 | -63 | 172.7 | 0 | 0 | 0 | 109.5 | L151 Q152 L157 Q158 | L151-I155 PolarHBondContact O-N 3.46Å; Q152-I155 WeakPolarHBondContact O-CA 3.26Å; Q152-I155 WeakPolarHBondContact O-CB 3.44Å; Q152-I155 PolarHBondContact O-N 2.84Å; I155-L157 PolarHBondContact O-N 2.81Å; I155-L157 VanDerWaalsContact O-N 3.08Å; I155-Q158 WeakPolarHBondContact O-CB 3.47Å; I155-Q158 PolarHBondContact O-N 3.01Å |
| 156 | D | 52.1 | Low | 53 | Low | 102 Ų | 102 | 94.6 Ų | 94.6 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.4 | -179.4 | -61.6 | -33.6 | 0 | 0 | 0 | 114.2 | Q152 Q158 S159 | Q152-D156 PolarHBondContact O-N 3.3Å; Q152-D156 VanDerWaalsContact O-N 3.14Å; D156-Q158 VanDerWaalsContact C-N 3.3Å; D156-S159 PolarHBondContact O-OG 3.39Å |
| 157 | L | 49.6 | Very low | 51.8 | Low | 121 Ų | 121 | 97 Ų | 97 | 63% | 0.634 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 2 | 175.9 | -71 | 168.6 | 0 | 0 | 0 | 113.9 | I155 R360 | I155-L157 PolarHBondContact O-N 2.81Å; I155-L157 VanDerWaalsContact O-N 3.08Å; L157-R360 PolarHBondContact O-NH1 3.4Å |
| 158 | Q | 49.3 | Very low | 50.4 | Low | 41 Ų | 41 | 103.5 Ų | 103.5 | 19% | 0.192 | 60% | 0.596 | C | S | . | * | S | Bend | trans | -103.8 | -15.3 | -171.4 | -156.8 | 69.8 | 15.6 | 0 | 0 | 113.8 | I155 D156 R360 Q361 | I155-Q158 WeakPolarHBondContact O-CB 3.47Å; I155-Q158 PolarHBondContact O-N 3.01Å; D156-Q158 VanDerWaalsContact C-N 3.3Å; Q158-R360 VanDerWaalsContact CD-NH2 3.31Å; Q158-Q361 VanDerWaalsContact NE2-CD 3.26Å |
| 159 | S | 52.2 | Low | 49.4 | Very low | 88 Ų | 88 | 107.2 Ų | 107.2 | 62% | 0.615 | 61% | 0.61 | S | S | * | * | trans | -84.2 | -17 | -166.4 | 40.8 | 0 | 0 | 0 | 0 | 116.4 | D156 I161 | D156-S159 PolarHBondContact O-OG 3.39Å; S159-I161 PolarHBondContact O-N 2.99Å | ||
| 160 | D | 43.2 | Very low | 48.1 | Very low | 155 Ų | 155 | 109.7 Ų | 109.7 | 83% | 0.829 | 62% | 0.622 | S | S | * | * | trans | -73.6 | 28.5 | -176.7 | -73.8 | -39.9 | 0 | 0 | 0 | 115.5 | ||||
| 161 | I | 44.4 | Very low | 47.4 | Very low | 103 Ų | 103 | 111.6 Ų | 111.6 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -116.1 | 123.9 | -178.2 | -59.4 | -175.3 | 0 | 0 | 0 | 111.5 | S159 L357 | S159-I161 PolarHBondContact O-N 2.99Å; I161-L357 HydrophobicContact CD1-CD1 4.07Å |
| 162 | N | 44.4 | Very low | 46.6 | Very low | 140 Ų | 140 | 113.1 Ų | 113.1 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | trans | -76.7 | 119.8 | -160.1 | -149.6 | -26.2 | 0 | 0 | 0 | 113.2 | N164 | N162-N164 VanDerWaalsContact C-N 3.3Å; N162-N164 PolarHBondContact O-N 2.81Å | ||
| 163 | P | 43.1 | Very low | 45.4 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 84% | 0.844 | 68% | 0.675 | S | S | * | * | trans | -85 | 61.5 | -177.2 | 35.7 | -36.6 | 0 | 0 | 0 | 112.2 | ||||
| 164 | N | 41.7 | Very low | 44.8 | Very low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -145.1 | 50.1 | -176.7 | -163.3 | 20.7 | 0 | 0 | 0 | 115.1 | N162 | N162-N164 VanDerWaalsContact C-N 3.3Å; N162-N164 PolarHBondContact O-N 2.81Å | ||
| 165 | V | 44.8 | Very low | 44.2 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -134.7 | 75.7 | 162.5 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 166 | G | 36.2 | Very low | 43.4 | Very low | 58 Ų | 58 | 127.9 Ų | 127.9 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | trans | -154.8 | 152 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 167 | N | 36.8 | Very low | 42.9 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 66.7 | 78.2 | -177.1 | -48.2 | -33 | 0 | 0 | 0 | 115.1 | ||
| 168 | N | 35.3 | Very low | 42.8 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 93% | 0.925 | 74% | 0.739 | S | S | * | * | trans | -173.5 | 63.2 | 148.1 | -95.3 | -35.8 | 0 | 0 | 0 | 111.4 | ||||
| 169 | L | 41.5 | Very low | 42.9 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -149.2 | 72.5 | 169.7 | -168.2 | 60.5 | 0 | 0 | 0 | 111.4 | V171 | L169-V171 HydrophobicContact CD1-CG2 3.75Å; L169-V171 HydrophobicContact CG-CG2 3.88Å; L169-V171 PolarHBondContact O-N 3.03Å | ||
| 170 | E | 38.3 | Very low | 42.4 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 94% | 0.944 | 78% | 0.778 | S | S | * | * | trans | -78.8 | 96.4 | 168.7 | -171 | 178.6 | 155.3 | 0 | 0 | 109 | ||||
| 171 | V | 44.6 | Very low | 42.6 | Very low | 101 Ų | 101 | 137 Ų | 137 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | trans | -105.1 | 113.9 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 108.5 | L169 Q173 | L169-V171 HydrophobicContact CD1-CG2 3.75Å; L169-V171 HydrophobicContact CG-CG2 3.88Å; L169-V171 PolarHBondContact O-N 3.03Å; V171-Q173 PolarHBondContact O-N 2.89Å | ||
| 172 | A | 45.7 | Very low | 42.6 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -64.4 | 125.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 173 | Q | 37.7 | Very low | 42.6 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -90.1 | 125.4 | 169.5 | -64.7 | -177 | -59.5 | 0 | 0 | 109.4 | V171 | V171-Q173 PolarHBondContact O-N 2.89Š| ||
| 174 | D | 43.6 | Very low | 42.6 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -134.3 | 166.2 | 165.5 | -149.8 | -54 | 0 | 0 | 0 | 108.9 | ||||
| 175 | H | 45.5 | Very low | 42.8 | Very low | 166 Ų | 166 | 138 Ų | 138 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -74.3 | 161.4 | -159.6 | -52 | -41.8 | 0 | 0 | 0 | 113.3 | ||||
| 176 | S | 41.9 | Very low | 42.5 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | -177.3 | 165.1 | -6.1 | 42.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 177 | N | 41.7 | Very low | 43.1 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 68.3 | 157.7 | 167.1 | -46.6 | -23.9 | 0 | 0 | 0 | 115.6 | ||||
| 178 | E | 46.4 | Very low | 43.4 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | cis | 177.2 | 172 | -33.9 | -150.8 | -174.6 | 150.8 | 0 | 0 | 104.5 | ||||
| 179 | S | 51.3 | Low | 43.7 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 71.3 | 79.9 | 171.5 | -52.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 180 | D | 42.6 | Very low | 43.5 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 173.9 | 138.3 | -151.1 | 39.3 | 0 | 0 | 0 | 107.3 | ||||
| 181 | P | 48.2 | Very low | 43.9 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -144.4 | -179.3 | 13.2 | 45.3 | -26 | 0 | 0 | 0 | 119.1 | ||||
| 182 | S | 42.8 | Very low | 43.6 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 87.2 | 114.4 | 144.9 | -160.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 183 | L | 44.9 | Very low | 43.4 | Very low | 175 Ų | 175 | 141 Ų | 141 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | 156 | 131.8 | 118.3 | -82.8 | 177.1 | 0 | 0 | 0 | 111.3 | |||||
| 184 | G | 42.6 | Very low | 43.5 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 146.6 | 105.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 185 | E | 46.9 | Very low | 43.1 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -64.9 | 157.5 | 171.9 | -77.6 | -72.4 | 123 | 0 | 0 | 113 | ||||
| 186 | P | 38.9 | Very low | 42.9 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -77.2 | 154.7 | -175.2 | 32.8 | -36.2 | 0 | 0 | 0 | 113.5 | ||||
| 187 | V | 49 | Very low | 43.2 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | trans | -123.5 | 113.4 | 167.1 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | N189 | V187-N189 PolarHBondContact O-N 3.23Š| ||
| 188 | E | 42.6 | Very low | 43.6 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | trans | -61.7 | 130.6 | 169.3 | -61.5 | -176.7 | 129.6 | 0 | 0 | 110.2 | ||||
| 189 | N | 40.7 | Very low | 43.2 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -135.4 | 86 | 164.2 | -85.7 | -72.8 | 0 | 0 | 0 | 109.2 | V187 V191 | V187-N189 PolarHBondContact O-N 3.23Å; N189-V191 PolarHBondContact O-N 3.21Å; N189-V191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | N | 38.2 | Very low | 43.1 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -63.1 | 109.5 | 161.5 | -87.5 | -30 | 0 | 0 | 0 | 108.5 | ||||
| 191 | V | 46.3 | Very low | 43.4 | Very low | 104 Ų | 104 | 134 Ų | 134 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | trans | -120.2 | 106 | 163.1 | 179.4 | 0 | 0 | 0 | 0 | 107.3 | N189 N193 | N189-V191 PolarHBondContact O-N 3.21Å; N189-V191 VanDerWaalsContact O-N 3.13Å; V191-N193 PolarHBondContact O-N 3Å | ||
| 192 | E | 37.9 | Very low | 43.1 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -63 | 98.8 | 171 | -67.9 | 172.9 | 98.9 | 0 | 0 | 109.3 | ||||
| 193 | N | 40.9 | Very low | 43.2 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | -111.3 | 82.8 | 177.6 | -122.1 | -6.5 | 0 | 0 | 0 | 110.6 | V191 | V191-N193 PolarHBondContact O-N 3Š| ||
| 194 | S | 40.3 | Very low | 43.1 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 11.6 | 116.2 | 159.2 | -56.6 | 0 | 0 | 0 | 0 | 117.8 | V196 | S194-V196 PolarHBondContact O-N 3.04Š| ||
| 195 | N | 35.8 | Very low | 43.2 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -66.3 | 73.7 | 162 | -80.4 | -51.1 | 0 | 0 | 0 | 111.3 | V197 | N195-V197 PolarHBondContact O-N 3.13Š| ||
| 196 | V | 40.8 | Very low | 43.3 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -86.4 | 86.1 | 165.9 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | S194 P198 | S194-V196 PolarHBondContact O-N 3.04Å; V196-P198 VanDerWaalsContact O-CD 3.28Å; V196-P198 WeakPolarHBondContact O-CD 3.45Å | ||
| 197 | V | 49.4 | Very low | 43.3 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 117.2 | 162.8 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | N195 D199 | N195-V197 PolarHBondContact O-N 3.13Å; V197-D199 PolarHBondContact O-N 3.35Å | ||
| 198 | P | 49.7 | Very low | 43.1 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -68.7 | 118.9 | 170.8 | 28.9 | -31.6 | 0 | 0 | 0 | 107.8 | V196 V200 | V196-P198 VanDerWaalsContact O-CD 3.28Å; V196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-V200 PolarHBondContact O-N 3.36Å; P198-V200 VanDerWaalsContact O-N 3.09Å | ||
| 199 | D | 38 | Very low | 43.3 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -58.3 | 115.1 | 171.1 | -175.4 | 23.4 | 0 | 0 | 0 | 108.5 | V197 M201 | V197-D199 PolarHBondContact O-N 3.35Å; D199-M201 VanDerWaalsContact C-N 3.33Å; D199-M201 PolarHBondContact O-N 3.48Å | ||
| 200 | V | 49.4 | Very low | 43.7 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | trans | -74.8 | 93.1 | -174.6 | 177 | 0 | 0 | 0 | 0 | 107.3 | P198 Q202 | P198-V200 PolarHBondContact O-N 3.36Å; P198-V200 VanDerWaalsContact O-N 3.09Å; V200-Q202 PolarHBondContact O-N 3.06Å | ||
| 201 | M | 47.9 | Very low | 44.4 | Very low | 153 Ų | 153 | 140 Ų | 140 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -47.7 | 115.8 | 179.8 | -76.5 | -166.9 | 171.4 | 0 | 0 | 110.3 | D199 T203 | D199-M201 VanDerWaalsContact C-N 3.33Å; D199-M201 PolarHBondContact O-N 3.48Å; M201-T203 HydrophobicContact CB-CG2 4.15Å; M201-T203 PolarHBondContact O-N 2.86Å | ||
| 202 | Q | 43.1 | Very low | 44.5 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -71.7 | 70 | 167.6 | -64.3 | -177.7 | 8.2 | 0 | 0 | 108.5 | V200 S204 | V200-Q202 PolarHBondContact O-N 3.06Å; Q202-S204 PolarHBondContact O-N 2.88Å | ||
| 203 | T | 43.6 | Very low | 44.7 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -61.5 | 111.7 | 173.1 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | M201 | M201-T203 HydrophobicContact CB-CG2 4.15Å; M201-T203 PolarHBondContact O-N 2.86Å | ||
| 204 | S | 42.9 | Very low | 45 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | trans | -36.4 | 142.5 | 176.3 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | Q202 I206 | Q202-S204 PolarHBondContact O-N 2.88Å; S204-I206 WeakPolarHBondContact O-CG1 3.24Å; S204-I206 PolarHBondContact O-N 3.12Å | ||
| 205 | R | 45.6 | Very low | 45.1 | Very low | 239 Ų | 239 | 135 Ų | 135 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -56.5 | 102.7 | 162.9 | -67.2 | 179.5 | -178 | 168.8 | 0.2 | 108.6 | D207 | R205-D207 PolarHBondContact O-N 3.49Å; R205-D207 VanDerWaalsContact O-N 3.16Å | ||
| 206 | I | 48.4 | Very low | 45.2 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | -81.3 | 93.5 | 170.7 | -51.1 | -177.7 | 0 | 0 | 0 | 106 | S204 S208 | S204-I206 WeakPolarHBondContact O-CG1 3.24Å; S204-I206 PolarHBondContact O-N 3.12Å; I206-S208 PolarHBondContact O-N 3.01Å | ||
| 207 | D | 39.9 | Very low | 45.3 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -67.2 | 85.9 | 167.7 | -109.7 | -56.3 | 0 | 0 | 0 | 108 | R205 S209 | R205-D207 PolarHBondContact O-N 3.49Å; R205-D207 VanDerWaalsContact O-N 3.16Å; D207-S209 PolarHBondContact O-N 3.38Å | ||
| 208 | S | 44.9 | Very low | 44.8 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -71.7 | 42.4 | -177.4 | -66.6 | 0 | 0 | 0 | 0 | 113.3 | I206 T210 | I206-S208 PolarHBondContact O-N 3.01Å; S208-T210 PolarHBondContact O-N 3.05Å | ||
| 209 | S | 46 | Very low | 44.3 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -79.9 | 46.9 | 174.4 | -158.8 | 0 | 0 | 0 | 0 | 111.8 | D207 | D207-S209 PolarHBondContact O-N 3.38Š| ||
| 210 | T | 48.7 | Very low | 44.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -108.3 | 73.3 | 175.5 | -56.2 | 0 | 0 | 0 | 0 | 109 | S208 P212 | S208-T210 PolarHBondContact O-N 3.05Å; T210-P212 WeakPolarHBondContact O-CD 3.36Å | ||
| 211 | R | 52.8 | Low | 44.2 | Very low | 219 Ų | 219 | 134.1 Ų | 134.1 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -60 | 115.2 | 172.8 | 176.3 | -172.7 | -178.5 | -156.7 | 3.8 | 110 | ||||
| 212 | P | 49.5 | Very low | 43.7 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.3 | 169.8 | -18.8 | 33.6 | 0 | 0 | 0 | 110.2 | T210 | T210-P212 WeakPolarHBondContact O-CD 3.36Š|
| 213 | A | 42.2 | Very low | 43.5 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65 | 140.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P215 | A213-P215 WeakPolarHBondContact O-CD 3.43Š|
| 214 | S | 46.2 | Very low | 43.4 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 119.7 | 175.4 | 178 | 0 | 0 | 0 | 0 | 110.7 | A216 | S214-A216 VanDerWaalsContact C-N 3.25Å; S214-A216 PolarHBondContact O-N 3.11Å; S214-A216 WeakPolarHBondContact OG-CB 3.49Å |
| 215 | P | 42.3 | Very low | 43.3 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -92.1 | 37.9 | 176 | 38.1 | -33.2 | 0 | 0 | 0 | 111.7 | A213 | A213-P215 WeakPolarHBondContact O-CD 3.43Š| ||
| 216 | A | 38.1 | Very low | 43.4 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | trans | -111.7 | 60.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S214 | S214-A216 VanDerWaalsContact C-N 3.25Å; S214-A216 PolarHBondContact O-N 3.11Å; S214-A216 WeakPolarHBondContact OG-CB 3.49Å | ||
| 217 | Q | 42.8 | Very low | 43.2 | Very low | 192 Ų | 192 | 128.2 Ų | 128.2 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -164 | 56.8 | 154.7 | -116.2 | 171.6 | 22.6 | 0 | 0 | 114.8 | G219 | Q217-G219 PolarHBondContact O-N 3.48Å; Q217-G219 VanDerWaalsContact O-N 3.11Å | ||
| 218 | A | 38.7 | Very low | 43.2 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | trans | -82.9 | 54.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M220 | A218-M220 PolarHBondContact O-N 3.33Š| ||
| 219 | G | 38.8 | Very low | 43.3 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | -73.9 | 103.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q217 | Q217-G219 PolarHBondContact O-N 3.48Å; Q217-G219 VanDerWaalsContact O-N 3.11Å | ||
| 220 | M | 42.6 | Very low | 42.9 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 31 | 102.8 | 156.7 | -58.8 | -169.5 | 71.8 | 0 | 0 | 117.7 | A218 N222 | A218-M220 PolarHBondContact O-N 3.33Å; M220-N222 VanDerWaalsContact C-N 3.3Å; M220-N222 PolarHBondContact O-N 2.87Å | ||
| 221 | L | 42.9 | Very low | 42.3 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -69.4 | 87.1 | 161.5 | -83.3 | 170.9 | 0 | 0 | 0 | 110.3 | K223 | L221-K223 PolarHBondContact O-N 3.49Š| ||
| 222 | N | 37.4 | Very low | 42 | Very low | 133 Ų | 133 | 127 Ų | 127 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -63.2 | 104.1 | 173.5 | -66.4 | -17 | 0 | 0 | 0 | 110.2 | M220 | M220-N222 VanDerWaalsContact C-N 3.3Å; M220-N222 PolarHBondContact O-N 2.87Å | ||
| 223 | K | 40 | Very low | 41.5 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -137.1 | 67.4 | 171.3 | -74.7 | -166.5 | 175.4 | -175 | 0 | 110.9 | L221 | L221-K223 PolarHBondContact O-N 3.49Š| ||
| 224 | S | 40.6 | Very low | 41.3 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | trans | -117.9 | 165.8 | 160.8 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 225 | D | 40.8 | Very low | 40.9 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 65.9 | 54.5 | 157.6 | -43.8 | -47.9 | 0 | 0 | 0 | 117.7 | P227 | D225-P227 WeakPolarHBondContact O-CD 3.43Š| ||
| 226 | T | 48 | Very low | 40.6 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -81.2 | 104 | 141.6 | 49.5 | 0 | 0 | 0 | 0 | 108.9 | L228 | T226-L228 PolarHBondContact O-N 3Š| ||
| 227 | P | 44.4 | Very low | 40.9 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -71.4 | 123 | -179.6 | 28.6 | -34.5 | 0 | 0 | 0 | 110.9 | D225 V229 | D225-P227 WeakPolarHBondContact O-CD 3.43Å; P227-V229 VanDerWaalsContact C-N 3.26Å; P227-V229 HydrophobicContact CB-CG2 4.24Å; P227-V229 HydrophobicContact CG-CG2 4.36Å; P227-V229 PolarHBondContact O-N 3.08Å | ||
| 228 | L | 39.5 | Very low | 41.5 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | trans | -72.6 | 80.8 | 171.3 | -176.3 | 67.8 | 0 | 0 | 0 | 109.7 | T226 N230 | T226-L228 PolarHBondContact O-N 3Å; L228-N230 PolarHBondContact O-N 3.27Å | ||
| 229 | V | 47.6 | Very low | 42.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | -72.6 | 112.8 | -178.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | P227 | P227-V229 VanDerWaalsContact C-N 3.26Å; P227-V229 HydrophobicContact CB-CG2 4.24Å; P227-V229 HydrophobicContact CG-CG2 4.36Å; P227-V229 PolarHBondContact O-N 3.08Å | ||
| 230 | N | 37.2 | Very low | 42 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | 32.4 | 101.1 | 156.3 | -68.6 | -14.1 | 0 | 0 | 0 | 117.9 | L228 K232 | L228-N230 PolarHBondContact O-N 3.27Å; N230-K232 PolarHBondContact O-N 3.46Å | ||
| 231 | G | 36.9 | Very low | 42.6 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -66.2 | 113.2 | 144 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 232 | K | 45.6 | Very low | 42.9 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -138.9 | 138.9 | 161.3 | -76.4 | -157.8 | 174.1 | -163.6 | 0 | 110.7 | N230 | N230-K232 PolarHBondContact O-N 3.46Š| ||
| 233 | E | 39.8 | Very low | 43.2 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -0.5 | 125.4 | 156.6 | -58 | 150.2 | 117.9 | 0 | 0 | 115.1 | ||||
| 234 | N | 36.5 | Very low | 43.6 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | -169.1 | 176.3 | 66.8 | -146.8 | -14.6 | 0 | 0 | 0 | 113.1 | |||||
| 235 | S | 39.3 | Very low | 43.8 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | 40 | 116.5 | 155.3 | -55.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 236 | Q | 35 | Very low | 44.1 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | -166.8 | 118.7 | 71.3 | -160.9 | 85.2 | 5.7 | 0 | 0 | 110.9 | |||||
| 237 | L | 43.7 | Very low | 44.3 | Very low | 168 Ų | 168 | 147 Ų | 147 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 132.7 | 168.9 | -90 | 166.9 | 0 | 0 | 0 | 110.5 | ||
| 238 | P | 57.4 | Low | 44.6 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 162.9 | 178.4 | -21.5 | 34.3 | 0 | 0 | 0 | 114.5 | ||
| 239 | P | 49.6 | Very low | 45.3 | Very low | 113 Ų | 113 | 141 Ų | 141 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 162.3 | -173.9 | -19.4 | 33.9 | 0 | 0 | 0 | 115.6 | ||
| 240 | Q | 37.4 | Very low | 46 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 91% | 0.907 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 146.1 | 173.7 | -62.8 | 177.6 | -7.7 | 0 | 0 | 112.8 | ||
| 241 | Y | 54.5 | Low | 47.3 | Very low | 219 Ų | 219 | 141.7 Ų | 141.7 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | trans | -115.4 | 141.9 | 164.2 | -83.7 | -91.2 | 0 | 0 | 0 | 111.1 | ||||
| 242 | P | 50.5 | Low | 48.8 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -84.5 | 142.2 | -170 | 32.3 | -35.7 | 0 | 0 | 0 | 114.6 | ||||
| 243 | F | 42.1 | Very low | 50.3 | Low | 200 Ų | 200 | 137.5 Ų | 137.5 | 88% | 0.877 | 71% | 0.71 | S | S | * | * | trans | -59.8 | 128.1 | 178 | -179.1 | -90.2 | 0 | 0 | 0 | 114 | ||||
| 244 | K | 49.6 | Very low | 52.2 | Low | 185 Ų | 185 | 132.8 Ų | 132.8 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -146.4 | 135 | 168.3 | -73 | -167.9 | 176.6 | -179.9 | 0 | 114 | ||||
| 245 | S | 45.4 | Very low | 54.6 | Low | 90 Ų | 90 | 130.8 Ų | 130.8 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | trans | 78.3 | 44.1 | 144.7 | -158.8 | 0 | 0 | 0 | 0 | 122.4 | R247 | S245-R247 VanDerWaalsContact C-N 3.26Å; S245-R247 PolarHBondContact O-N 3.23Å | ||
| 246 | S | 45.7 | Very low | 56.7 | Low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | S | Bend | 35.3 | 12.8 | 127.6 | -157.8 | 0 | 0 | 0 | 0 | 124 | |||
| 247 | R | 52.1 | Low | 59.2 | Low | 229 Ų | 229 | 128.4 Ų | 128.4 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -116.1 | -21 | 177.8 | -152.6 | 172.3 | -165.9 | 170.6 | 4.5 | 113.1 | S245 | S245-R247 VanDerWaalsContact C-N 3.26Å; S245-R247 PolarHBondContact O-N 3.23Å |
| 248 | D | 51.6 | Low | 61.4 | Low | 92 Ų | 92 | 123 Ų | 123 | 49% | 0.492 | 65% | 0.646 | S | S | . | * | trans | -84.1 | -9.8 | -174.7 | -44.9 | -63.3 | 0 | 0 | 0 | 113.3 | K250 S251 N252 | D248-K250 VanDerWaalsContact C-N 3.29Å; D248-K250 PolarHBondContact O-N 3.27Å; D248-S251 WeakPolarHBondContact O-CA 3.44Å; D248-S251 VanDerWaalsContact O-CB 3.26Å; D248-S251 WeakPolarHBondContact O-CB 3.39Å; D248-S251 PolarHBondContact O-N 3.47Å; D248-N252 WeakPolarHBondContact CB-OD1 3.23Å; D248-N252 PolarHBondContact O-N 3.4Å; D248-N252 PolarHBondContact O-OD1 2.86Å; D248-N252 VanDerWaalsContact O-OD1 3.09Å | ||
| 249 | S | 54.7 | Low | 63.1 | Low | 64 Ų | 64 | 121.8 Ų | 121.8 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -47.4 | -42.3 | -171 | -57.7 | 0 | 0 | 0 | 0 | 114.9 | N252 D253 | S249-N252 PolarHBondContact O-N 3.1Å; S249-D253 WeakPolarHBondContact O-CB 3.43Å; S249-D253 PolarHBondContact O-N 2.9Å |
| 250 | K | 61.9 | Low | 65.1 | Low | 184 Ų | 184 | 124.4 Ų | 124.4 | 80% | 0.8 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72 | -27.9 | 178.2 | -70.1 | -170.2 | 175.8 | -173.3 | 0 | 114 | D248 S254 | D248-K250 VanDerWaalsContact C-N 3.29Å; D248-K250 PolarHBondContact O-N 3.27Å; K250-S254 PolarHBondContact O-N 3.01Å |
| 251 | S | 63.3 | Low | 67.8 | Low | 72 Ų | 72 | 121.6 Ų | 121.6 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69 | -51.6 | 169.5 | -164.6 | 0 | 0 | 0 | 0 | 108.7 | D248 D253 S254 E255 | D248-S251 WeakPolarHBondContact O-CA 3.44Å; D248-S251 VanDerWaalsContact O-CB 3.26Å; D248-S251 WeakPolarHBondContact O-CB 3.39Å; D248-S251 PolarHBondContact O-N 3.47Å; S251-D253 VanDerWaalsContact C-N 3.29Å; S251-D253 PolarHBondContact O-N 3.38Å; S251-S254 PolarHBondContact O-N 2.84Å; S251-S254 PolarHBondContact O-OG 2.92Å; S251-E255 WeakPolarHBondContact O-CB 3.31Å; S251-E255 PolarHBondContact O-N 3.04Å |
| 252 | N | 68.3 | Low | 69.7 | Low | 72 Ų | 72 | 116.1 Ų | 116.1 | 39% | 0.385 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.3 | -37.2 | 179.3 | -56.1 | 5.5 | 0 | 0 | 0 | 112.1 | D248 S249 E255 L256 | D248-N252 WeakPolarHBondContact CB-OD1 3.23Å; D248-N252 PolarHBondContact O-N 3.4Å; D248-N252 PolarHBondContact O-OD1 2.86Å; D248-N252 VanDerWaalsContact O-OD1 3.09Å; S249-N252 PolarHBondContact O-N 3.1Å; N252-E255 PolarHBondContact O-N 3.39Å; N252-L256 VanDerWaalsContact O-CB 3.23Å; N252-L256 WeakPolarHBondContact O-CB 3.45Å; N252-L256 WeakPolarHBondContact O-CD1 3.36Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.34Å |
| 253 | D | 77.7 | Confident | 71.7 | Confident | 90 Ų | 90 | 117.2 Ų | 117.2 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.6 | -42.7 | 174.8 | -71.3 | -31.2 | 0 | 0 | 0 | 111.5 | S249 S251 L256 I257 | S249-D253 WeakPolarHBondContact O-CB 3.43Å; S249-D253 PolarHBondContact O-N 2.9Å; S251-D253 VanDerWaalsContact C-N 3.29Å; S251-D253 PolarHBondContact O-N 3.38Å; D253-L256 PolarHBondContact O-N 3.49Å; D253-I257 VanDerWaalsContact O-CG1 3.32Å; D253-I257 WeakPolarHBondContact O-CG1 3.43Å; D253-I257 PolarHBondContact O-N 2.79Å |
| 254 | S | 80.6 | Confident | 74.2 | Confident | 72 Ų | 72 | 111.2 Ų | 111.2 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.1 | -36.7 | 176.9 | 72 | 0 | 0 | 0 | 0 | 112.5 | K250 S251 I257 A258 | K250-S254 PolarHBondContact O-N 3.01Å; S251-S254 PolarHBondContact O-N 2.84Å; S251-S254 PolarHBondContact O-OG 2.92Å; S254-I257 PolarHBondContact O-N 3.31Å; S254-A258 PolarHBondContact O-N 3.49Å |
| 255 | E | 85.7 | Confident | 76.4 | Confident | 107 Ų | 107 | 107.8 Ų | 107.8 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 174 | -170.6 | 178.9 | 167.8 | 0 | 0 | 111.1 | S251 N252 I257 A258 L259 | S251-E255 WeakPolarHBondContact O-CB 3.31Å; S251-E255 PolarHBondContact O-N 3.04Å; N252-E255 PolarHBondContact O-N 3.39Å; E255-I257 VanDerWaalsContact C-N 3.31Å; E255-I257 PolarHBondContact O-N 2.75Å; E255-A258 WeakPolarHBondContact O-CB 3.33Å; E255-A258 PolarHBondContact O-N 3.35Å; E255-L259 HydrophobicContact CG-CD1 4.03Å; E255-L259 HydrophobicContact CG-CG 4.47Å; E255-L259 WeakPolarHBondContact O-CB 3.29Å; E255-L259 VanDerWaalsContact O-CG 3.28Å; E255-L259 WeakPolarHBondContact O-CG 3.37Å; E255-L259 PolarHBondContact O-N 2.91Å |
| 256 | L | 83.9 | Confident | 78.7 | Confident | 90 Ų | 90 | 108.2 Ų | 108.2 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 173.7 | -78.9 | 167.5 | 0 | 0 | 0 | 112.7 | N252 D253 R260 | N252-L256 VanDerWaalsContact O-CB 3.23Å; N252-L256 WeakPolarHBondContact O-CB 3.45Å; N252-L256 WeakPolarHBondContact O-CD1 3.36Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 3.34Å; D253-L256 PolarHBondContact O-N 3.49Å; L256-R260 VanDerWaalsContact O-CB 3.31Å; L256-R260 WeakPolarHBondContact O-CB 3.21Å; L256-R260 WeakPolarHBondContact O-CD 3.48Å; L256-R260 WeakPolarHBondContact O-CG 3.35Å; L256-R260 PolarHBondContact O-N 3.48Å |
| 257 | I | 88.6 | Confident | 81.1 | Confident | 120 Ų | 120 | 107.2 Ų | 107.2 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.9 | -41.5 | 173.6 | -69.5 | 165.6 | 0 | 0 | 0 | 110.7 | D253 S254 E255 R260 K261 | D253-I257 VanDerWaalsContact O-CG1 3.32Å; D253-I257 WeakPolarHBondContact O-CG1 3.43Å; D253-I257 PolarHBondContact O-N 2.79Å; S254-I257 PolarHBondContact O-N 3.31Å; E255-I257 VanDerWaalsContact C-N 3.31Å; E255-I257 PolarHBondContact O-N 2.75Å; I257-R260 PolarHBondContact O-N 3.37Å; I257-K261 PolarHBondContact O-N 3.14Å |
| 258 | A | 89.5 | Confident | 83.2 | Confident | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | S254 E255 R260 K261 E262 | S254-A258 PolarHBondContact O-N 3.49Å; E255-A258 WeakPolarHBondContact O-CB 3.33Å; E255-A258 PolarHBondContact O-N 3.35Å; A258-R260 VanDerWaalsContact C-N 3.32Å; A258-R260 PolarHBondContact O-N 3.25Å; A258-K261 WeakPolarHBondContact O-CB 3.42Å; A258-K261 PolarHBondContact O-N 3.24Å; A258-K261 VanDerWaalsContact O-N 3.11Å; A258-E262 WeakPolarHBondContact O-CB 3.48Å; A258-E262 PolarHBondContact O-N 2.67Å |
| 259 | L | 92.4 | Very high | 85.4 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 176.9 | -71.4 | 169.6 | 0 | 0 | 0 | 112.5 | E255 R263 | E255-L259 HydrophobicContact CG-CD1 4.03Å; E255-L259 HydrophobicContact CG-CG 4.47Å; E255-L259 WeakPolarHBondContact O-CB 3.29Å; E255-L259 VanDerWaalsContact O-CG 3.28Å; E255-L259 WeakPolarHBondContact O-CG 3.37Å; E255-L259 PolarHBondContact O-N 2.91Å; L259-R263 WeakPolarHBondContact O-CB 3.28Å; L259-R263 PolarHBondContact O-N 2.84Å |
| 260 | R | 92.3 | Very high | 87.3 | Confident | 167 Ų | 167 | 99.2 Ų | 99.2 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 171.9 | -80.8 | 171.8 | -175.8 | -143.8 | 3 | 111.6 | L256 I257 A258 R263 D264 | L256-R260 VanDerWaalsContact O-CB 3.31Å; L256-R260 WeakPolarHBondContact O-CB 3.21Å; L256-R260 WeakPolarHBondContact O-CD 3.48Å; L256-R260 WeakPolarHBondContact O-CG 3.35Å; L256-R260 PolarHBondContact O-N 3.48Å; I257-R260 PolarHBondContact O-N 3.37Å; A258-R260 VanDerWaalsContact C-N 3.32Å; A258-R260 PolarHBondContact O-N 3.25Å; R260-R263 WeakPolarHBondContact O-CB 3.47Å; R260-R263 PolarHBondContact O-N 2.75Å; R260-D264 WeakPolarHBondContact O-CB 3.36Å; R260-D264 PolarHBondContact O-N 3.09Å |
| 261 | K | 92.7 | Very high | 89 | Confident | 135 Ų | 135 | 96.8 Ų | 96.8 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 177.2 | -175.3 | -174.6 | 173.8 | -173.2 | 0 | 111.6 | I257 A258 D264 Q265 | I257-K261 PolarHBondContact O-N 3.14Å; A258-K261 WeakPolarHBondContact O-CB 3.42Å; A258-K261 PolarHBondContact O-N 3.24Å; A258-K261 VanDerWaalsContact O-N 3.11Å; K261-D264 PolarHBondContact O-N 3.46Å; K261-Q265 VanDerWaalsContact O-CG 3.29Å; K261-Q265 WeakPolarHBondContact O-CG 3.29Å; K261-Q265 PolarHBondContact O-N 3.43Å |
| 262 | E | 94.3 | Very high | 90.6 | Very high | 104 Ų | 104 | 99.1 Ų | 99.1 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 174.6 | -176.4 | 178 | -174 | 0 | 0 | 111.2 | A258 D264 Q265 L266 | A258-E262 WeakPolarHBondContact O-CB 3.48Å; A258-E262 PolarHBondContact O-N 2.67Å; E262-D264 VanDerWaalsContact C-N 3.33Å; E262-D264 PolarHBondContact O-N 3.29Å; E262-Q265 PolarHBondContact O-N 3.17Å; E262-L266 HydrophobicContact CG-CD1 4.2Å; E262-L266 WeakPolarHBondContact O-CB 3.45Å; E262-L266 WeakPolarHBondContact O-CG 3.45Å; E262-L266 PolarHBondContact O-N 2.94Å |
| 263 | R | 94 | Very high | 92 | Very high | 135 Ų | 135 | 101.2 Ų | 101.2 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 172.1 | -174.7 | -71.9 | -54.3 | -125.7 | 4.9 | 111.4 | L259 R260 L266 L267 | L259-R263 WeakPolarHBondContact O-CB 3.28Å; L259-R263 PolarHBondContact O-N 2.84Å; R260-R263 WeakPolarHBondContact O-CB 3.47Å; R260-R263 PolarHBondContact O-N 2.75Å; R263-L266 PolarHBondContact O-N 3.02Å; R263-L267 VanDerWaalsContact CD-CD1 3.44Å; R263-L267 WeakPolarHBondContact O-CG 3.43Å; R263-L267 PolarHBondContact O-N 3.24Å |
| 264 | D | 94.3 | Very high | 92.9 | Very high | 74 Ų | 74 | 102.6 Ų | 102.6 | 40% | 0.396 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 178.3 | -65.5 | -22.1 | 0 | 0 | 0 | 111.3 | R260 K261 E262 L267 T268 | R260-D264 WeakPolarHBondContact O-CB 3.36Å; R260-D264 PolarHBondContact O-N 3.09Å; K261-D264 PolarHBondContact O-N 3.46Å; E262-D264 VanDerWaalsContact C-N 3.33Å; E262-D264 PolarHBondContact O-N 3.29Å; D264-L267 PolarHBondContact O-N 3.13Å; D264-T268 PolarHBondContact O-N 3.17Å; D264-T268 PolarHBondContact O-OG1 3.18Å |
| 265 | Q | 94.7 | Very high | 93.7 | Very high | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.6 | -71.1 | 176.1 | -74.5 | 0 | 0 | 111.8 | K261 E262 L267 T268 T269 | K261-Q265 VanDerWaalsContact O-CG 3.29Å; K261-Q265 WeakPolarHBondContact O-CG 3.29Å; K261-Q265 PolarHBondContact O-N 3.43Å; E262-Q265 PolarHBondContact O-N 3.17Å; Q265-L267 VanDerWaalsContact C-N 3.34Å; Q265-L267 PolarHBondContact O-N 2.95Å; Q265-T268 PolarHBondContact O-N 2.9Å; Q265-T269 PolarHBondContact O-N 3.31Å; Q265-T269 PolarHBondContact O-OG1 3.48Å |
| 266 | L | 95.6 | Very high | 94.3 | Very high | 99 Ų | 99 | 102.5 Ų | 102.5 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -38 | 175.5 | -73.7 | 169.2 | 0 | 0 | 0 | 112.2 | E262 R263 T269 I270 | E262-L266 HydrophobicContact CG-CD1 4.2Å; E262-L266 WeakPolarHBondContact O-CB 3.45Å; E262-L266 WeakPolarHBondContact O-CG 3.45Å; E262-L266 PolarHBondContact O-N 2.94Å; R263-L266 PolarHBondContact O-N 3.02Å; L266-T269 PolarHBondContact O-N 3.28Å; L266-I270 WeakPolarHBondContact O-CB 3.41Å; L266-I270 WeakPolarHBondContact O-CD1 3.26Å; L266-I270 WeakPolarHBondContact O-CG1 3.27Å; L266-I270 PolarHBondContact O-N 2.94Å |
| 267 | L | 96.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 174 | -75.1 | 178.1 | 0 | 0 | 0 | 111.7 | R263 D264 Q265 I270 E271 | R263-L267 VanDerWaalsContact CD-CD1 3.44Å; R263-L267 WeakPolarHBondContact O-CG 3.43Å; R263-L267 PolarHBondContact O-N 3.24Å; D264-L267 PolarHBondContact O-N 3.13Å; Q265-L267 VanDerWaalsContact C-N 3.34Å; Q265-L267 PolarHBondContact O-N 2.95Å; L267-I270 PolarHBondContact O-N 3.17Å; L267-E271 PolarHBondContact O-N 3.32Å |
| 268 | T | 95.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 174.6 | -56 | 0 | 0 | 0 | 0 | 111.4 | D264 Q265 I270 E271 E272 | D264-T268 PolarHBondContact O-N 3.17Å; D264-T268 PolarHBondContact O-OG1 3.18Å; Q265-T268 PolarHBondContact O-N 2.9Å; T268-I270 VanDerWaalsContact C-N 3.29Å; T268-I270 PolarHBondContact O-N 3.23Å; T268-E271 WeakPolarHBondContact O-CA 3.09Å; T268-E271 WeakPolarHBondContact O-CB 3.41Å; T268-E271 PolarHBondContact O-N 2.69Å; T268-E272 HydrophobicContact CG2-CG 4.47Å; T268-E272 WeakPolarHBondContact O-CG 3.43Å; T268-E272 PolarHBondContact O-N 2.93Å |
| 269 | T | 96.2 | Very high | 95.8 | Very high | 61 Ų | 61 | 102.3 Ų | 102.3 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | Q265 L266 M273 | Q265-T269 PolarHBondContact O-N 3.31Å; Q265-T269 PolarHBondContact O-OG1 3.48Å; L266-T269 PolarHBondContact O-N 3.28Å; T269-M273 HydrophobicContact CG2-CE 4.44Å; T269-M273 VanDerWaalsContact O-CB 3.28Å; T269-M273 WeakPolarHBondContact O-CB 3.45Å; T269-M273 VanDerWaalsContact O-CG 3.26Å; T269-M273 WeakPolarHBondContact O-CG 3.45Å; T269-M273 PolarHBondContact O-N 3.42Å |
| 270 | I | 96.3 | Very high | 96 | Very high | 79 Ų | 79 | 105.9 Ų | 105.9 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 172.3 | -74.2 | 164.4 | 0 | 0 | 0 | 111.5 | L266 L267 T268 K274 | L266-I270 WeakPolarHBondContact O-CB 3.41Å; L266-I270 WeakPolarHBondContact O-CD1 3.26Å; L266-I270 WeakPolarHBondContact O-CG1 3.27Å; L266-I270 PolarHBondContact O-N 2.94Å; L267-I270 PolarHBondContact O-N 3.17Å; T268-I270 VanDerWaalsContact C-N 3.29Å; T268-I270 PolarHBondContact O-N 3.23Å; I270-K274 HydrophobicContact CG2-CD 4.26Å; I270-K274 WeakPolarHBondContact O-CB 3.32Å; I270-K274 WeakPolarHBondContact O-CG 3.49Å; I270-K274 PolarHBondContact O-N 2.94Å |
| 271 | E | 96.5 | Very high | 96.3 | Very high | 134 Ų | 134 | 102 Ų | 102 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.6 | -44.5 | 175.5 | -162.1 | 115.5 | -106.9 | 0 | 0 | 111.6 | L267 T268 M273 K274 H275 | L267-E271 PolarHBondContact O-N 3.32Å; T268-E271 WeakPolarHBondContact O-CA 3.09Å; T268-E271 WeakPolarHBondContact O-CB 3.41Å; T268-E271 PolarHBondContact O-N 2.69Å; E271-M273 PolarHBondContact O-N 2.98Å; E271-K274 PolarHBondContact O-N 3.49Å; E271-H275 PolarHBondContact O-N 3.28Å |
| 272 | E | 97.1 | Very high | 96.6 | Very high | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | 171.8 | -69.3 | 168.6 | 170.2 | 0 | 0 | 111.6 | T268 H275 C276 | T268-E272 HydrophobicContact CG2-CG 4.47Å; T268-E272 WeakPolarHBondContact O-CG 3.43Å; T268-E272 PolarHBondContact O-N 2.93Å; E272-H275 PolarHBondContact O-N 3.46Å; E272-C276 VanDerWaalsContact O-CB 3.28Å; E272-C276 WeakPolarHBondContact O-CB 3.34Å; E272-C276 PolarHBondContact O-N 3.45Å |
| 273 | M | 97.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 100.2 Ų | 100.2 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 175.4 | -80 | -175.5 | 166.6 | 0 | 0 | 112.5 | T269 E271 C276 I277 | T269-M273 HydrophobicContact CG2-CE 4.44Å; T269-M273 VanDerWaalsContact O-CB 3.28Å; T269-M273 WeakPolarHBondContact O-CB 3.45Å; T269-M273 VanDerWaalsContact O-CG 3.26Å; T269-M273 WeakPolarHBondContact O-CG 3.45Å; T269-M273 PolarHBondContact O-N 3.42Å; E271-M273 PolarHBondContact O-N 2.98Å; M273-C276 WeakPolarHBondContact O-CB 3.43Å; M273-C276 PolarHBondContact O-N 3.02Å; M273-I277 WeakPolarHBondContact O-CB 3.43Å; M273-I277 WeakPolarHBondContact O-CD1 3.37Å; M273-I277 VanDerWaalsContact O-CG1 3.25Å; M273-I277 WeakPolarHBondContact O-CG1 3.41Å; M273-I277 PolarHBondContact O-N 3.13Å |
| 274 | K | 97.6 | Very high | 96.9 | Very high | 119 Ų | 119 | 98.6 Ų | 98.6 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.3 | -77.2 | 165.2 | -177.6 | 171.8 | 0 | 111.2 | I270 E271 I277 T278 | I270-K274 HydrophobicContact CG2-CD 4.26Å; I270-K274 WeakPolarHBondContact O-CB 3.32Å; I270-K274 WeakPolarHBondContact O-CG 3.49Å; I270-K274 PolarHBondContact O-N 2.94Å; E271-K274 PolarHBondContact O-N 3.49Å; K274-I277 PolarHBondContact O-N 3.49Å; K274-T278 WeakPolarHBondContact O-CG2 3.46Å; K274-T278 PolarHBondContact O-N 2.85Å; K274-T278 PolarHBondContact O-OG1 3.03Å |
| 275 | H | 97.3 | Very high | 97.1 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 178 | -177.8 | 33.2 | 0 | 0 | 0 | 111 | E271 E272 I277 T278 E279 | E271-H275 PolarHBondContact O-N 3.28Å; E272-H275 PolarHBondContact O-N 3.46Å; H275-I277 VanDerWaalsContact C-N 3.32Å; H275-I277 PolarHBondContact O-N 2.75Å; H275-T278 WeakPolarHBondContact CA-OG1 3.41Å; H275-T278 PolarHBondContact O-N 3.03Å; H275-T278 PolarHBondContact O-OG1 3.38Å; H275-E279 IonicContact CE1-OE1 3.28Å; H275-E279 PolarHBondContact CE1-OE1 3.29Å; H275-E279 VanDerWaalsContact CE1-OE1 3.28Å; H275-E279 IonicContact ND1-OE1 3.75Å; H275-E279 WeakPolarHBondContact O-CG 3.43Å; H275-E279 PolarHBondContact O-N 3.28Å |
| 276 | C | 97.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 100 Ų | 100 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -53.6 | -45.7 | 174.1 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | E272 M273 T278 E279 Y280 | E272-C276 VanDerWaalsContact O-CB 3.28Å; E272-C276 WeakPolarHBondContact O-CB 3.34Å; E272-C276 PolarHBondContact O-N 3.45Å; M273-C276 WeakPolarHBondContact O-CB 3.43Å; M273-C276 PolarHBondContact O-N 3.02Å; C276-T278 PolarHBondContact O-N 3.02Å; C276-E279 PolarHBondContact O-N 2.85Å; C276-Y280 VanDerWaalsContact O-CD2 3.26Å; C276-Y280 WeakPolarHBondContact O-CD2 3.31Å; C276-Y280 PolarHBondContact O-N 3.49Å; C276-Y280 VanDerWaalsContact SG-CE2 3.56Å |
| 277 | I | 97.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 100.9 Ų | 100.9 | 59% | 0.585 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 174.8 | -69.7 | 163.2 | 0 | 0 | 0 | 111.6 | M273 K274 H275 E279 Y280 D281 | M273-I277 WeakPolarHBondContact O-CB 3.43Å; M273-I277 WeakPolarHBondContact O-CD1 3.37Å; M273-I277 VanDerWaalsContact O-CG1 3.25Å; M273-I277 WeakPolarHBondContact O-CG1 3.41Å; M273-I277 PolarHBondContact O-N 3.13Å; K274-I277 PolarHBondContact O-N 3.49Å; H275-I277 VanDerWaalsContact C-N 3.32Å; H275-I277 PolarHBondContact O-N 2.75Å; I277-E279 VanDerWaalsContact C-N 3.34Å; I277-E279 PolarHBondContact O-N 2.92Å; I277-Y280 PolarHBondContact O-N 3.23Å; I277-D281 WeakPolarHBondContact O-CB 3.49Å; I277-D281 PolarHBondContact O-N 3.48Å |
| 278 | T | 97.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 101.4 Ų | 101.4 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.4 | -30.5 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | K274 H275 C276 R282 | K274-T278 WeakPolarHBondContact O-CG2 3.46Å; K274-T278 PolarHBondContact O-N 2.85Å; K274-T278 PolarHBondContact O-OG1 3.03Å; H275-T278 WeakPolarHBondContact CA-OG1 3.41Å; H275-T278 PolarHBondContact O-N 3.03Å; H275-T278 PolarHBondContact O-OG1 3.38Å; C276-T278 PolarHBondContact O-N 3.02Å; T278-R282 WeakPolarHBondContact O-CB 3.33Å; T278-R282 PolarHBondContact O-N 3.28Å; T278-R282 VanDerWaalsContact O-N 3.11Å |
| 279 | E | 97.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 104.1 Ų | 104.1 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.2 | -39.4 | 173.6 | -63.9 | -57.8 | 128.1 | 0 | 0 | 111.3 | H275 C276 I277 R282 S283 | H275-E279 IonicContact CE1-OE1 3.28Å; H275-E279 PolarHBondContact CE1-OE1 3.29Å; H275-E279 VanDerWaalsContact CE1-OE1 3.28Å; H275-E279 IonicContact ND1-OE1 3.75Å; H275-E279 WeakPolarHBondContact O-CG 3.43Å; H275-E279 PolarHBondContact O-N 3.28Å; C276-E279 PolarHBondContact O-N 2.85Å; I277-E279 VanDerWaalsContact C-N 3.34Å; I277-E279 PolarHBondContact O-N 2.92Å; E279-R282 PolarHBondContact O-N 3.23Å; E279-R282 IonicContact OE1-CZ 3Å; E279-R282 VanDerWaalsContact OE1-CZ 3.23Å; E279-R282 IonicContact OE1-NH1 3.17Å; E279-R282 PolarHBondContact OE1-NH1 2.93Å; E279-R282 IonicContact OE1-NH2 3.36Å; E279-R282 PolarHBondContact OE1-NH2 3.34Å; E279-R282 IonicContact OE2-CZ 2.68Å; E279-R282 IonicContact OE2-NH1 3.98Å; E279-R282 PolarHBondContact OE2-NH1 3.04Å; E279-R282 IonicContact OE2-NH2 3.98Å; E279-S283 WeakPolarHBondContact O-CB 3.26Å; E279-S283 PolarHBondContact O-N 2.77Å |
| 280 | Y | 98.1 | Very high | 97.6 | Very high | 160 Ų | 160 | 106.5 Ų | 106.5 | 63% | 0.627 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | 171.8 | -83.8 | -60.3 | 0 | 0 | 0 | 112.7 | C276 I277 S283 L284 | C276-Y280 VanDerWaalsContact O-CD2 3.26Å; C276-Y280 WeakPolarHBondContact O-CD2 3.31Å; C276-Y280 PolarHBondContact O-N 3.49Å; C276-Y280 VanDerWaalsContact SG-CE2 3.56Å; I277-Y280 PolarHBondContact O-N 3.23Å; Y280-S283 WeakPolarHBondContact O-CB 3.35Å; Y280-S283 PolarHBondContact O-N 3.47Å; Y280-L284 WeakPolarHBondContact O-CG 3.29Å; Y280-L284 PolarHBondContact O-N 3.19Å |
| 281 | D | 97.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 110.1 Ų | 110.1 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.4 | -170.8 | 55.5 | 0 | 0 | 0 | 111.4 | I277 S283 L284 Q285 | I277-D281 WeakPolarHBondContact O-CB 3.49Å; I277-D281 PolarHBondContact O-N 3.48Å; D281-S283 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.62Å; D281-L284 PolarHBondContact O-N 2.88Å; D281-Q285 VanDerWaalsContact O-CG 3.29Å; D281-Q285 WeakPolarHBondContact O-CG 3.47Å; D281-Q285 PolarHBondContact O-N 3.44Å; D281-Q285 PolarHBondContact OD2-NE2 3.14Å |
| 282 | R | 98 | Very high | 97.6 | Very high | 137 Ų | 137 | 105.4 Ų | 105.4 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 172.5 | -166 | -172.3 | -53.8 | 129 | 17.4 | 112.4 | T278 E279 Q285 H286 | T278-R282 WeakPolarHBondContact O-CB 3.33Å; T278-R282 PolarHBondContact O-N 3.28Å; T278-R282 VanDerWaalsContact O-N 3.11Å; E279-R282 PolarHBondContact O-N 3.23Å; E279-R282 IonicContact OE1-CZ 3Å; E279-R282 VanDerWaalsContact OE1-CZ 3.23Å; E279-R282 IonicContact OE1-NH1 3.17Å; E279-R282 PolarHBondContact OE1-NH1 2.93Å; E279-R282 IonicContact OE1-NH2 3.36Å; E279-R282 PolarHBondContact OE1-NH2 3.34Å; E279-R282 IonicContact OE2-CZ 2.68Å; E279-R282 IonicContact OE2-NH1 3.98Å; E279-R282 PolarHBondContact OE2-NH1 3.04Å; E279-R282 IonicContact OE2-NH2 3.98Å; R282-Q285 PolarHBondContact O-N 3.04Å; R282-H286 PolarHBondContact O-N 3.24Å |
| 283 | S | 98 | Very high | 97.6 | Very high | 66 Ų | 66 | 104.6 Ų | 104.6 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 177 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | E279 Y280 D281 H286 M287 | E279-S283 WeakPolarHBondContact O-CB 3.26Å; E279-S283 PolarHBondContact O-N 2.77Å; Y280-S283 WeakPolarHBondContact O-CB 3.35Å; Y280-S283 PolarHBondContact O-N 3.47Å; D281-S283 VanDerWaalsContact C-N 3.32Å; D281-S283 PolarHBondContact O-N 2.62Å; S283-H286 PolarHBondContact O-N 2.88Å; S283-M287 WeakPolarHBondContact O-CB 3.32Å; S283-M287 PolarHBondContact O-N 3.46Å |
| 284 | L | 98 | Very high | 97.6 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 174 | -72.9 | 167.9 | 0 | 0 | 0 | 112 | Y280 D281 M287 V288 | Y280-L284 WeakPolarHBondContact O-CG 3.29Å; Y280-L284 PolarHBondContact O-N 3.19Å; D281-L284 PolarHBondContact O-N 2.88Å; L284-M287 PolarHBondContact O-N 3.47Å; L284-V288 WeakPolarHBondContact O-CG2 3.45Å; L284-V288 PolarHBondContact O-N 3Å |
| 285 | Q | 98 | Very high | 97.5 | Very high | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 174.1 | -70.8 | 170.4 | 22.7 | 0 | 0 | 111 | D281 R282 M287 V288 E289 | D281-Q285 VanDerWaalsContact O-CG 3.29Å; D281-Q285 WeakPolarHBondContact O-CG 3.47Å; D281-Q285 PolarHBondContact O-N 3.44Å; D281-Q285 PolarHBondContact OD2-NE2 3.14Å; R282-Q285 PolarHBondContact O-N 3.04Å; Q285-M287 VanDerWaalsContact C-N 3.34Å; Q285-M287 PolarHBondContact O-N 3.42Å; Q285-V288 PolarHBondContact O-N 3.25Å; Q285-V288 VanDerWaalsContact O-N 3.14Å; Q285-E289 WeakPolarHBondContact O-CG 3.41Å; Q285-E289 PolarHBondContact O-N 2.93Å |
| 286 | H | 97.5 | Very high | 97.5 | Very high | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.1 | -46.2 | 175.5 | -174.2 | -74.2 | 0 | 0 | 0 | 111.9 | R282 S283 V288 E289 E290 | R282-H286 PolarHBondContact O-N 3.24Å; S283-H286 PolarHBondContact O-N 2.88Å; H286-V288 VanDerWaalsContact C-N 3.3Å; H286-V288 PolarHBondContact O-N 3.19Å; H286-E289 PolarHBondContact O-N 3.15Å; H286-E290 IonicContact CE1-OE2 3.17Å; H286-E290 PolarHBondContact CE1-OE2 2.93Å; H286-E290 IonicContact ND1-OE2 2.67Å; H286-E290 PolarHBondContact ND1-OE2 2.61Å; H286-E290 VanDerWaalsContact O-CB 3.22Å; H286-E290 WeakPolarHBondContact O-CB 3.5Å; H286-E290 PolarHBondContact O-N 2.91Å |
| 287 | M | 97.8 | Very high | 97.4 | Very high | 118 Ų | 118 | 104.1 Ų | 104.1 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -33.8 | 179.2 | -170.3 | -174.4 | -61.6 | 0 | 0 | 112.8 | S283 L284 Q285 K291 | S283-M287 WeakPolarHBondContact O-CB 3.32Å; S283-M287 PolarHBondContact O-N 3.46Å; L284-M287 PolarHBondContact O-N 3.47Å; Q285-M287 VanDerWaalsContact C-N 3.34Å; Q285-M287 PolarHBondContact O-N 3.42Å; M287-K291 WeakPolarHBondContact O-CB 3.37Å; M287-K291 PolarHBondContact O-N 2.97Å |
| 288 | V | 97.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71 | -41.9 | 173.9 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | L284 Q285 H286 A292 | L284-V288 WeakPolarHBondContact O-CG2 3.45Å; L284-V288 PolarHBondContact O-N 3Å; Q285-V288 PolarHBondContact O-N 3.25Å; Q285-V288 VanDerWaalsContact O-N 3.14Å; H286-V288 VanDerWaalsContact C-N 3.3Å; H286-V288 PolarHBondContact O-N 3.19Å; V288-A292 VanDerWaalsContact O-CB 3.25Å; V288-A292 WeakPolarHBondContact O-CB 3.19Å; V288-A292 PolarHBondContact O-N 3.42Å |
| 289 | E | 97.5 | Very high | 97.3 | Very high | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -44.9 | 177.6 | -72 | -178.1 | 173.5 | 0 | 0 | 112.5 | Q285 H286 A292 H293 | Q285-E289 WeakPolarHBondContact O-CG 3.41Å; Q285-E289 PolarHBondContact O-N 2.93Å; H286-E289 PolarHBondContact O-N 3.15Å; E289-A292 CarbonylContact O-C 3.51Å; E289-A292 PolarHBondContact O-N 3.22Å; E289-H293 WeakPolarHBondContact O-CB 3.28Å; E289-H293 PolarHBondContact O-N 2.93Å |
| 290 | E | 97.3 | Very high | 97.1 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 175.2 | -174.3 | -174.5 | 142.8 | 0 | 0 | 110.8 | H286 A292 H293 S294 | H286-E290 IonicContact CE1-OE2 3.17Å; H286-E290 PolarHBondContact CE1-OE2 2.93Å; H286-E290 IonicContact ND1-OE2 2.67Å; H286-E290 PolarHBondContact ND1-OE2 2.61Å; H286-E290 VanDerWaalsContact O-CB 3.22Å; H286-E290 WeakPolarHBondContact O-CB 3.5Å; H286-E290 PolarHBondContact O-N 2.91Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-A292 PolarHBondContact O-N 3.15Å; E290-H293 WeakPolarHBondContact O-CA 3.5Å; E290-H293 WeakPolarHBondContact O-CB 3.19Å; E290-H293 PolarHBondContact O-N 3Å; E290-S294 PolarHBondContact O-N 3.16Å |
| 291 | K | 97.4 | Very high | 97.1 | Very high | 155 Ų | 155 | 99.8 Ų | 99.8 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.3 | -40.2 | 174.2 | -178.4 | 176.3 | 179.4 | 178 | 0 | 112.1 | M287 H293 Q295 | M287-K291 WeakPolarHBondContact O-CB 3.37Å; M287-K291 PolarHBondContact O-N 2.97Å; K291-H293 VanDerWaalsContact C-N 3.29Å; K291-Q295 VanDerWaalsContact O-CB 3.25Å; K291-Q295 WeakPolarHBondContact O-CB 3.39Å; K291-Q295 PolarHBondContact O-N 3.12Å |
| 292 | A | 97.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 99.1 Ų | 99.1 | 29% | 0.289 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.1 | -25.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V288 E289 E290 R296 | V288-A292 VanDerWaalsContact O-CB 3.25Å; V288-A292 WeakPolarHBondContact O-CB 3.19Å; V288-A292 PolarHBondContact O-N 3.42Å; E289-A292 CarbonylContact O-C 3.51Å; E289-A292 PolarHBondContact O-N 3.22Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-A292 PolarHBondContact O-N 3.15Å; A292-R296 WeakPolarHBondContact O-CG 3.47Å; A292-R296 PolarHBondContact O-N 3.47Å; A292-R296 PolarHBondContact O-NE 3.18Å; A292-R296 PolarHBondContact O-NH1 2.81Å |
| 293 | H | 96.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 95.3 Ų | 95.3 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.4 | -58.3 | 172.7 | -162 | 89.6 | 0 | 0 | 0 | 110.9 | E289 E290 K291 Q295 R296 E297 | E289-H293 WeakPolarHBondContact O-CB 3.28Å; E289-H293 PolarHBondContact O-N 2.93Å; E290-H293 WeakPolarHBondContact O-CA 3.5Å; E290-H293 WeakPolarHBondContact O-CB 3.19Å; E290-H293 PolarHBondContact O-N 3Å; K291-H293 VanDerWaalsContact C-N 3.29Å; H293-Q295 PolarHBondContact O-N 3.13Å; H293-R296 WeakPolarHBondContact O-CA 3.29Å; H293-R296 WeakPolarHBondContact O-CB 3.36Å; H293-R296 PolarHBondContact O-N 3.43Å; H293-E297 VanDerWaalsContact CD2-CD 3.46Å; H293-E297 IonicContact CD2-OE1 2.61Å; H293-E297 IonicContact CD2-OE2 2.65Å; H293-E297 PolarHBondContact CD2-OE2 2.8Å; H293-E297 IonicContact NE2-OE1 2.68Å; H293-E297 PolarHBondContact O-N 3.47Å |
| 294 | S | 96.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 96.2 Ų | 96.2 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -27.8 | -179.4 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | E290 R296 E297 V298 | E290-S294 PolarHBondContact O-N 3.16Å; S294-R296 VanDerWaalsContact C-N 3.33Å; S294-R296 PolarHBondContact O-N 2.84Å; S294-E297 VanDerWaalsContact CA-OE2 3.27Å; S294-E297 WeakPolarHBondContact CA-OE2 3.42Å; S294-E297 PolarHBondContact O-N 3.32Å; S294-E297 PolarHBondContact OG-OE2 2.81Å; S294-V298 WeakPolarHBondContact O-CG2 3.44Å; S294-V298 PolarHBondContact O-N 3.37Å |
| 295 | Q | 96.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 169.4 | -169.9 | 67.7 | 75.6 | 0 | 0 | 112.3 | K291 H293 N299 | K291-Q295 VanDerWaalsContact O-CB 3.25Å; K291-Q295 WeakPolarHBondContact O-CB 3.39Å; K291-Q295 PolarHBondContact O-N 3.12Å; H293-Q295 PolarHBondContact O-N 3.13Å; Q295-N299 PolarHBondContact NE2-OD1 2.99Å; Q295-N299 WeakPolarHBondContact O-CB 3.47Å; Q295-N299 PolarHBondContact O-N 3.26Å; Q295-N299 PolarHBondContact O-ND2 2.99Å; Q295-N299 PolarHBondContact O-OD1 3.44Å; Q295-N299 VanDerWaalsContact O-OD1 3.09Å |
| 296 | R | 95.8 | Very high | 97.1 | Very high | 137 Ų | 137 | 96 Ų | 96 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.1 | -43.4 | 173 | -67.5 | 177.2 | -139.7 | 105.9 | 1.2 | 111.4 | A292 H293 S294 V298 N299 I300 | A292-R296 WeakPolarHBondContact O-CG 3.47Å; A292-R296 PolarHBondContact O-N 3.47Å; A292-R296 PolarHBondContact O-NE 3.18Å; A292-R296 PolarHBondContact O-NH1 2.81Å; H293-R296 WeakPolarHBondContact O-CA 3.29Å; H293-R296 WeakPolarHBondContact O-CB 3.36Å; H293-R296 PolarHBondContact O-N 3.43Å; S294-R296 VanDerWaalsContact C-N 3.33Å; S294-R296 PolarHBondContact O-N 2.84Å; R296-V298 PolarHBondContact O-N 2.85Å; R296-N299 PolarHBondContact O-N 3.39Å; R296-I300 WeakPolarHBondContact O-CG1 3.43Å; R296-I300 PolarHBondContact O-N 2.68Å; R296-I300 VanDerWaalsContact O-N 3.09Å |
| 297 | E | 95.9 | Very high | 97.2 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.4 | -33.1 | 177.4 | -65.2 | 179.4 | 105.8 | 0 | 0 | 112.8 | H293 S294 P301 | H293-E297 VanDerWaalsContact CD2-CD 3.46Å; H293-E297 IonicContact CD2-OE1 2.61Å; H293-E297 IonicContact CD2-OE2 2.65Å; H293-E297 PolarHBondContact CD2-OE2 2.8Å; H293-E297 IonicContact NE2-OE1 2.68Å; H293-E297 PolarHBondContact O-N 3.47Å; S294-E297 VanDerWaalsContact CA-OE2 3.27Å; S294-E297 WeakPolarHBondContact CA-OE2 3.42Å; S294-E297 PolarHBondContact O-N 3.32Å; S294-E297 PolarHBondContact OG-OE2 2.81Å; E297-P301 WeakPolarHBondContact O-CD 3.49Å; E297-P301 VanDerWaalsContact O-CG 3.26Å; E297-P301 WeakPolarHBondContact O-CG 3.35Å |
| 298 | V | 96.1 | Very high | 97.2 | Very high | 80 Ų | 80 | 96.3 Ų | 96.3 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -82.6 | -40.6 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | S294 R296 I300 P301 V302 | S294-V298 WeakPolarHBondContact O-CG2 3.44Å; S294-V298 PolarHBondContact O-N 3.37Å; R296-V298 PolarHBondContact O-N 2.85Å; V298-I300 VanDerWaalsContact C-N 3.35Å; V298-I300 PolarHBondContact O-N 3Å; V298-P301 WeakPolarHBondContact O-CD 3.4Å; V298-V302 HydrophobicContact CG1-CG2 4.14Å; V298-V302 WeakPolarHBondContact O-CB 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.37Å; V298-V302 PolarHBondContact O-N 3.39Å |
| 299 | N | 96.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 97.5 Ų | 97.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -32.8 | -175.4 | -76.5 | 5.2 | 0 | 0 | 0 | 113.7 | Q295 R296 A303 | Q295-N299 PolarHBondContact NE2-OD1 2.99Å; Q295-N299 WeakPolarHBondContact O-CB 3.47Å; Q295-N299 PolarHBondContact O-N 3.26Å; Q295-N299 PolarHBondContact O-ND2 2.99Å; Q295-N299 PolarHBondContact O-OD1 3.44Å; Q295-N299 VanDerWaalsContact O-OD1 3.09Å; R296-N299 PolarHBondContact O-N 3.39Å; N299-A303 WeakPolarHBondContact O-CB 3.38Å; N299-A303 PolarHBondContact O-N 3.28Å |
| 300 | I | 95.2 | Very high | 97.3 | Very high | 106 Ų | 106 | 94.5 Ų | 94.5 | 54% | 0.544 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -62.5 | 179.8 | -66.7 | 163.9 | 0 | 0 | 0 | 111.4 | R296 V298 V302 A303 D304 | R296-I300 WeakPolarHBondContact O-CG1 3.43Å; R296-I300 PolarHBondContact O-N 2.68Å; R296-I300 VanDerWaalsContact O-N 3.09Å; V298-I300 VanDerWaalsContact C-N 3.35Å; V298-I300 PolarHBondContact O-N 3Å; I300-V302 PolarHBondContact O-N 3.42Å; I300-A303 WeakPolarHBondContact O-CA 3.44Å; I300-A303 WeakPolarHBondContact O-CB 3.41Å; I300-A303 PolarHBondContact O-N 2.98Å; I300-D304 PolarHBondContact O-N 2.82Å |
| 301 | P | 97.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 94 Ų | 94 | 39% | 0.39 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.2 | -25.4 | 179.7 | 26.5 | -35.6 | 0 | 0 | 0 | 113 | E297 V298 L305 | E297-P301 WeakPolarHBondContact O-CD 3.49Å; E297-P301 VanDerWaalsContact O-CG 3.26Å; E297-P301 WeakPolarHBondContact O-CG 3.35Å; V298-P301 WeakPolarHBondContact O-CD 3.4Å; P301-L305 VanDerWaalsContact O-CB 3.28Å; P301-L305 WeakPolarHBondContact O-CB 3.4Å; P301-L305 WeakPolarHBondContact O-CD1 3.23Å; P301-L305 WeakPolarHBondContact O-CG 3.24Å; P301-L305 PolarHBondContact O-N 3.4Å |
| 302 | V | 98 | Very high | 97.4 | Very high | 71 Ų | 71 | 88.7 Ų | 88.7 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 170.6 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | V298 I300 I306 | V298-V302 HydrophobicContact CG1-CG2 4.14Å; V298-V302 WeakPolarHBondContact O-CB 3.29Å; V298-V302 WeakPolarHBondContact O-CG2 3.37Å; V298-V302 PolarHBondContact O-N 3.39Å; I300-V302 PolarHBondContact O-N 3.42Å; V302-I306 HydrophobicContact CG1-CD1 3.91Å; V302-I306 WeakPolarHBondContact O-CB 3.45Å; V302-I306 WeakPolarHBondContact O-CD1 3.26Å; V302-I306 WeakPolarHBondContact O-CG1 2.8Å; V302-I306 PolarHBondContact O-N 2.82Å |
| 303 | A | 97.8 | Very high | 97.5 | Very high | 56 Ų | 56 | 90.6 Ų | 90.6 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | N299 I300 I306 K307 | N299-A303 WeakPolarHBondContact O-CB 3.38Å; N299-A303 PolarHBondContact O-N 3.28Å; I300-A303 WeakPolarHBondContact O-CA 3.44Å; I300-A303 WeakPolarHBondContact O-CB 3.41Å; I300-A303 PolarHBondContact O-N 2.98Å; A303-I306 PolarHBondContact O-N 3.02Å; A303-K307 PolarHBondContact O-N 3.14Å |
| 304 | D | 98.1 | Very high | 97.6 | Very high | 86 Ų | 86 | 92.6 Ų | 92.6 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 176.6 | -63.1 | -40.7 | 0 | 0 | 0 | 111.3 | I300 I306 K307 E308 | I300-D304 PolarHBondContact O-N 2.82Å; D304-I306 VanDerWaalsContact C-N 3.3Å; D304-I306 PolarHBondContact O-N 2.95Å; D304-K307 WeakPolarHBondContact O-CB 3.35Å; D304-K307 PolarHBondContact O-N 3.21Å; D304-K307 VanDerWaalsContact O-N 3.1Å; D304-E308 WeakPolarHBondContact O-CG 3.49Å; D304-E308 PolarHBondContact O-N 3.37Å |
| 305 | L | 98.2 | Very high | 97.7 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -33.1 | 174.7 | -74.2 | 169.2 | 0 | 0 | 0 | 113.1 | P301 R309 | P301-L305 VanDerWaalsContact O-CB 3.28Å; P301-L305 WeakPolarHBondContact O-CB 3.4Å; P301-L305 WeakPolarHBondContact O-CD1 3.23Å; P301-L305 WeakPolarHBondContact O-CG 3.24Å; P301-L305 PolarHBondContact O-N 3.4Å; L305-R309 VanDerWaalsContact O-CB 3.22Å; L305-R309 WeakPolarHBondContact O-CB 3.37Å; L305-R309 PolarHBondContact O-N 2.81Å; L305-R309 VanDerWaalsContact O-N 3.1Å |
| 306 | I | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 173 | -77.5 | 166.4 | 0 | 0 | 0 | 110.1 | V302 A303 D304 R309 D310 | V302-I306 HydrophobicContact CG1-CD1 3.91Å; V302-I306 WeakPolarHBondContact O-CB 3.45Å; V302-I306 WeakPolarHBondContact O-CD1 3.26Å; V302-I306 WeakPolarHBondContact O-CG1 2.8Å; V302-I306 PolarHBondContact O-N 2.82Å; A303-I306 PolarHBondContact O-N 3.02Å; D304-I306 VanDerWaalsContact C-N 3.3Å; D304-I306 PolarHBondContact O-N 2.95Å; I306-R309 PolarHBondContact O-N 3.27Å; I306-R309 PolarHBondContact O-NH2 2.88Å; I306-D310 PolarHBondContact O-N 3.06Å |
| 307 | K | 98.4 | Very high | 97.9 | Very high | 119 Ų | 119 | 91.8 Ų | 91.8 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 177.2 | 177.3 | -172.1 | 171.2 | -72.9 | 0 | 111.7 | A303 D304 R309 D310 E311 | A303-K307 PolarHBondContact O-N 3.14Å; D304-K307 WeakPolarHBondContact O-CB 3.35Å; D304-K307 PolarHBondContact O-N 3.21Å; D304-K307 VanDerWaalsContact O-N 3.1Å; K307-R309 PolarHBondContact O-N 3.29Å; K307-D310 PolarHBondContact O-N 3.44Å; K307-D310 VanDerWaalsContact O-N 3.11Å; K307-E311 IonicContact NZ-OE2 2.96Å; K307-E311 PolarHBondContact NZ-OE2 3.26Å; K307-E311 WeakPolarHBondContact O-CB 3.45Å; K307-E311 PolarHBondContact O-N 3.48Å |
| 308 | E | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 91.1 Ų | 91.1 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -56.7 | -37.6 | 177.6 | -71.6 | 179.1 | 170.6 | 0 | 0 | 111.6 | D304 A312 | D304-E308 WeakPolarHBondContact O-CG 3.49Å; D304-E308 PolarHBondContact O-N 3.37Å; E308-A312 WeakPolarHBondContact O-CB 3.42Å; E308-A312 PolarHBondContact O-N 3.09Å |
| 309 | R | 98.5 | Very high | 98.1 | Very high | 125 Ų | 125 | 92.4 Ų | 92.4 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.7 | -34 | 177 | -174.3 | -78.9 | -44.7 | 147.5 | 17.4 | 113.1 | L305 I306 K307 V313 | L305-R309 VanDerWaalsContact O-CB 3.22Å; L305-R309 WeakPolarHBondContact O-CB 3.37Å; L305-R309 PolarHBondContact O-N 2.81Å; L305-R309 VanDerWaalsContact O-N 3.1Å; I306-R309 PolarHBondContact O-N 3.27Å; I306-R309 PolarHBondContact O-NH2 2.88Å; K307-R309 PolarHBondContact O-N 3.29Å; R309-V313 VanDerWaalsContact O-CG2 3.24Å; R309-V313 WeakPolarHBondContact O-CG2 3.43Å; R309-V313 PolarHBondContact O-N 2.98Å |
| 310 | D | 98.6 | Very high | 98.2 | Very high | 71 Ų | 71 | 95 Ų | 95 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 170.1 | -78.6 | -49.1 | 0 | 0 | 0 | 111.1 | I306 K307 A312 V313 E314 | I306-D310 PolarHBondContact O-N 3.06Å; K307-D310 PolarHBondContact O-N 3.44Å; K307-D310 VanDerWaalsContact O-N 3.11Å; D310-A312 PolarHBondContact O-N 3.11Å; D310-V313 WeakPolarHBondContact O-CB 3.39Å; D310-V313 PolarHBondContact O-N 3.04Å; D310-E314 PolarHBondContact O-N 2.73Å |
| 311 | E | 98.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 97.1 Ų | 97.1 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 178.5 | -168.8 | 162.4 | -178.5 | 0 | 0 | 111.5 | K307 V313 E314 E315 | K307-E311 IonicContact NZ-OE2 2.96Å; K307-E311 PolarHBondContact NZ-OE2 3.26Å; K307-E311 WeakPolarHBondContact O-CB 3.45Å; K307-E311 PolarHBondContact O-N 3.48Å; E311-V313 VanDerWaalsContact C-N 3.28Å; E311-V313 PolarHBondContact O-N 2.91Å; E311-E314 PolarHBondContact O-N 3.08Å; E311-E315 PolarHBondContact O-N 3.19Å |
| 312 | A | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 97 Ų | 97 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -27.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E308 D310 L316 | E308-A312 WeakPolarHBondContact O-CB 3.42Å; E308-A312 PolarHBondContact O-N 3.09Å; D310-A312 PolarHBondContact O-N 3.11Å; A312-L316 WeakPolarHBondContact O-CB 3.35Å; A312-L316 VanDerWaalsContact O-CG 3.28Å; A312-L316 WeakPolarHBondContact O-CG 3.39Å; A312-L316 PolarHBondContact O-N 2.86Å |
| 313 | V | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 100.3 Ų | 100.3 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.3 | -36.2 | 174.8 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | R309 D310 E311 L316 A317 | R309-V313 VanDerWaalsContact O-CG2 3.24Å; R309-V313 WeakPolarHBondContact O-CG2 3.43Å; R309-V313 PolarHBondContact O-N 2.98Å; D310-V313 WeakPolarHBondContact O-CB 3.39Å; D310-V313 PolarHBondContact O-N 3.04Å; E311-V313 VanDerWaalsContact C-N 3.28Å; E311-V313 PolarHBondContact O-N 2.91Å; V313-L316 PolarHBondContact O-N 3.49Å; V313-A317 WeakPolarHBondContact O-CB 3.4Å; V313-A317 PolarHBondContact O-N 2.94Å |
| 314 | E | 98.6 | Very high | 98.5 | Very high | 145 Ų | 145 | 99.5 Ų | 99.5 | 68% | 0.678 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.2 | -37.4 | 173 | -67.2 | -171.4 | 173.4 | 0 | 0 | 112.2 | D310 E311 T318 | D310-E314 PolarHBondContact O-N 2.73Å; E311-E314 PolarHBondContact O-N 3.08Å; E314-T318 WeakPolarHBondContact O-CB 3.37Å; E314-T318 PolarHBondContact O-N 3.17Å; E314-T318 VanDerWaalsContact O-N 3.1Å; E314-T318 PolarHBondContact O-OG1 3.24Å |
| 315 | E | 98.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 99 Ų | 99 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -48.7 | 170.7 | -71.6 | -165.4 | 154.3 | 0 | 0 | 111.9 | E311 A317 T318 I319 | E311-E315 PolarHBondContact O-N 3.19Å; E315-A317 PolarHBondContact O-N 3.33Å; E315-T318 WeakPolarHBondContact O-CA 3.46Å; E315-T318 WeakPolarHBondContact O-CB 3.33Å; E315-T318 PolarHBondContact O-N 2.87Å; E315-T318 VanDerWaalsContact O-N 3.1Å; E315-I319 WeakPolarHBondContact O-CG1 3.46Å; E315-I319 PolarHBondContact O-N 3.42Å |
| 316 | L | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 178.1 | -78.2 | 169.1 | 0 | 0 | 0 | 112 | A312 V313 T318 I319 E320 | A312-L316 WeakPolarHBondContact O-CB 3.35Å; A312-L316 VanDerWaalsContact O-CG 3.28Å; A312-L316 WeakPolarHBondContact O-CG 3.39Å; A312-L316 PolarHBondContact O-N 2.86Å; V313-L316 PolarHBondContact O-N 3.49Å; L316-T318 PolarHBondContact O-N 3.05Å; L316-I319 PolarHBondContact O-N 2.74Å; L316-I319 VanDerWaalsContact O-N 3.1Å; L316-E320 WeakPolarHBondContact O-CG 3.29Å; L316-E320 PolarHBondContact O-N 3.4Å |
| 317 | A | 98.4 | Very high | 98.5 | Very high | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V313 E315 K321 | V313-A317 WeakPolarHBondContact O-CB 3.4Å; V313-A317 PolarHBondContact O-N 2.94Å; E315-A317 PolarHBondContact O-N 3.33Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 2.93Å |
| 318 | T | 98.4 | Very high | 98.6 | Very high | 94 Ų | 94 | 103.3 Ų | 103.3 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.8 | -40.8 | 174.7 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | E314 E315 L316 A322 | E314-T318 WeakPolarHBondContact O-CB 3.37Å; E314-T318 PolarHBondContact O-N 3.17Å; E314-T318 VanDerWaalsContact O-N 3.1Å; E314-T318 PolarHBondContact O-OG1 3.24Å; E315-T318 WeakPolarHBondContact O-CA 3.46Å; E315-T318 WeakPolarHBondContact O-CB 3.33Å; E315-T318 PolarHBondContact O-N 2.87Å; E315-T318 VanDerWaalsContact O-N 3.1Å; L316-T318 PolarHBondContact O-N 3.05Å; T318-A322 PolarHBondContact O-N 3.41Å |
| 319 | I | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 106.2 Ų | 106.2 | 55% | 0.549 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 176.2 | -67.8 | 165.1 | 0 | 0 | 0 | 111.1 | E315 L316 K321 A322 F323 | E315-I319 WeakPolarHBondContact O-CG1 3.46Å; E315-I319 PolarHBondContact O-N 3.42Å; L316-I319 PolarHBondContact O-N 2.74Å; L316-I319 VanDerWaalsContact O-N 3.1Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.01Å; I319-A322 PolarHBondContact O-N 2.91Å; I319-F323 WeakPolarHBondContact O-CB 3.19Å; I319-F323 PolarHBondContact O-N 3.37Å |
| 320 | E | 98.6 | Very high | 98.6 | Very high | 139 Ų | 139 | 106.1 Ų | 106.1 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.8 | -44 | 176 | -73.8 | -179.7 | 156.3 | 0 | 0 | 111.6 | L316 F323 G324 | L316-E320 WeakPolarHBondContact O-CG 3.29Å; L316-E320 PolarHBondContact O-N 3.4Å; E320-F323 PolarHBondContact O-N 3.13Å; E320-G324 PolarHBondContact O-N 2.94Å |
| 321 | K | 98.7 | Very high | 98.6 | Very high | 150 Ų | 150 | 106.1 Ų | 106.1 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 174.8 | -178 | -177.9 | 175.5 | -174.2 | 0 | 112 | A317 I319 F323 G324 D325 | A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 PolarHBondContact O-N 2.93Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.01Å; K321-F323 VanDerWaalsContact C-N 3.32Å; K321-F323 PolarHBondContact O-N 3.01Å; K321-G324 PolarHBondContact O-N 3.39Å; K321-D325 PolarHBondContact O-N 2.91Å |
| 322 | A | 98.5 | Very high | 98.6 | Very high | 58 Ų | 58 | 108 Ų | 108 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T318 I319 D325 L326 | T318-A322 PolarHBondContact O-N 3.41Å; I319-A322 PolarHBondContact O-N 2.91Å; A322-D325 PolarHBondContact O-N 2.88Å; A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 PolarHBondContact O-N 3.47Å |
| 323 | F | 98.7 | Very high | 98.6 | Very high | 141 Ų | 141 | 108.8 Ų | 108.8 | 62% | 0.618 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 173.9 | -175.2 | -95.1 | 0 | 0 | 0 | 111.9 | I319 E320 K321 L326 H327 | I319-F323 WeakPolarHBondContact O-CB 3.19Å; I319-F323 PolarHBondContact O-N 3.37Å; E320-F323 PolarHBondContact O-N 3.13Å; K321-F323 VanDerWaalsContact C-N 3.32Å; K321-F323 PolarHBondContact O-N 3.01Å; F323-L326 PolarHBondContact O-N 2.74Å; F323-H327 WeakPolarHBondContact O-CB 3.43Å; F323-H327 PolarHBondContact O-N 2.65Å |
| 324 | G | 98.7 | Very high | 98.6 | Very high | 39 Ų | 39 | 109 Ų | 109 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | E320 K321 H327 R328 | E320-G324 PolarHBondContact O-N 2.94Å; K321-G324 PolarHBondContact O-N 3.39Å; G324-H327 PolarHBondContact O-N 3.27Å; G324-R328 WeakPolarHBondContact O-CB 3.22Å; G324-R328 PolarHBondContact O-N 3.38Å |
| 325 | D | 98.4 | Very high | 98.6 | Very high | 76 Ų | 76 | 108.6 Ų | 108.6 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 174.5 | -89 | -29 | 0 | 0 | 0 | 112.4 | K321 A322 R329 | K321-D325 PolarHBondContact O-N 2.91Å; A322-D325 PolarHBondContact O-N 2.88Å; D325-R329 VanDerWaalsContact O-CG 3.25Å; D325-R329 WeakPolarHBondContact O-CG 3.42Å; D325-R329 PolarHBondContact O-N 3.13Å |
| 326 | L | 98.7 | Very high | 98.6 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 174.7 | 177.1 | 61 | 0 | 0 | 0 | 111.6 | A322 F323 R328 R329 F330 | A322-L326 WeakPolarHBondContact O-CB 3.3Å; A322-L326 PolarHBondContact O-N 3.47Å; F323-L326 PolarHBondContact O-N 2.74Å; L326-R328 VanDerWaalsContact C-N 3.33Å; L326-R328 PolarHBondContact O-N 3.2Å; L326-R329 WeakPolarHBondContact O-CB 3.07Å; L326-R329 PolarHBondContact O-N 2.99Å; L326-F330 PolarHBondContact O-N 3.5Å |
| 327 | H | 98.6 | Very high | 98.6 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.7 | -178.2 | 58.6 | 0 | 0 | 0 | 111.6 | F323 G324 R329 F330 E331 | F323-H327 WeakPolarHBondContact O-CB 3.43Å; F323-H327 PolarHBondContact O-N 2.65Å; G324-H327 PolarHBondContact O-N 3.27Å; H327-R329 VanDerWaalsContact C-N 3.34Å; H327-R329 PolarHBondContact O-N 2.89Å; H327-F330 WeakPolarHBondContact O-CB 3.46Å; H327-F330 PolarHBondContact O-N 3.28Å; H327-E331 PolarHBondContact O-N 2.88Å |
| 328 | R | 98.7 | Very high | 98.6 | Very high | 192 Ų | 192 | 107.4 Ų | 107.4 | 73% | 0.725 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -36.4 | 174.8 | -170.4 | 179.4 | -176.1 | -168.7 | 2.6 | 112.9 | G324 L326 K332 | G324-R328 WeakPolarHBondContact O-CB 3.22Å; G324-R328 PolarHBondContact O-N 3.38Å; L326-R328 VanDerWaalsContact C-N 3.33Å; L326-R328 PolarHBondContact O-N 3.2Å; R328-K332 WeakPolarHBondContact O-CB 3.48Å; R328-K332 PolarHBondContact O-N 3.32Å |
| 329 | R | 98.6 | Very high | 98.6 | Very high | 183 Ų | 183 | 104.7 Ų | 104.7 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.1 | -40.8 | 172.8 | -71.6 | 169.7 | -170.1 | -137.6 | 5.8 | 111.7 | D325 L326 H327 K332 S333 | D325-R329 VanDerWaalsContact O-CG 3.25Å; D325-R329 WeakPolarHBondContact O-CG 3.42Å; D325-R329 PolarHBondContact O-N 3.13Å; L326-R329 WeakPolarHBondContact O-CB 3.07Å; L326-R329 PolarHBondContact O-N 2.99Å; H327-R329 VanDerWaalsContact C-N 3.34Å; H327-R329 PolarHBondContact O-N 2.89Å; R329-K332 PolarHBondContact O-N 2.97Å; R329-S333 WeakPolarHBondContact O-CB 3.43Å; R329-S333 PolarHBondContact O-N 2.61Å |
| 330 | F | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -53.6 | 177.6 | 174.7 | -95.6 | 0 | 0 | 0 | 111.7 | L326 H327 K332 S333 K334 | L326-F330 PolarHBondContact O-N 3.5Å; H327-F330 WeakPolarHBondContact O-CB 3.46Å; H327-F330 PolarHBondContact O-N 3.28Å; F330-K332 VanDerWaalsContact C-N 3.32Å; F330-K332 PolarHBondContact O-N 3.43Å; F330-S333 WeakPolarHBondContact O-CB 3.33Å; F330-S333 PolarHBondContact O-N 2.99Å; F330-S333 VanDerWaalsContact O-N 3.07Å; F330-K334 HydrophobicContact CE1-CD 4.12Å; F330-K334 WeakPolarHBondContact O-CB 3.5Å; F330-K334 PolarHBondContact O-N 2.93Å |
| 331 | E | 98.8 | Very high | 98.6 | Very high | 70 Ų | 70 | 105.3 Ų | 105.3 | 33% | 0.327 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 179.9 | -72.4 | -63.2 | 135.3 | 0 | 0 | 112.2 | H327 K334 Q335 | H327-E331 PolarHBondContact O-N 2.88Å; E331-K334 IonicContact OE1-NZ 3.54Å; E331-K334 PolarHBondContact OE1-NZ 2.91Å; E331-K334 IonicContact OE2-NZ 3.53Å; E331-K334 PolarHBondContact OE2-NZ 3.28Å; E331-Q335 WeakPolarHBondContact O-CB 3.49Å; E331-Q335 PolarHBondContact O-N 3.09Å |
| 332 | K | 98.6 | Very high | 98.6 | Very high | 139 Ų | 139 | 104.8 Ų | 104.8 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 171.2 | -176.3 | 178.7 | 177.4 | -176.8 | 0 | 112.3 | R328 R329 F330 Q335 I336 | R328-K332 WeakPolarHBondContact O-CB 3.48Å; R328-K332 PolarHBondContact O-N 3.32Å; R329-K332 PolarHBondContact O-N 2.97Å; F330-K332 VanDerWaalsContact C-N 3.32Å; F330-K332 PolarHBondContact O-N 3.43Å; K332-Q335 PolarHBondContact O-N 2.98Å; K332-I336 HydrophobicContact CG-CD1 4.12Å; K332-I336 WeakPolarHBondContact O-CG1 3.37Å; K332-I336 PolarHBondContact O-N 3.07Å; K332-I336 VanDerWaalsContact O-N 3.13Å |
| 333 | S | 98.5 | Very high | 98.6 | Very high | 62 Ų | 62 | 106.2 Ų | 106.2 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 178.7 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | R329 F330 Q335 I336 I337 | R329-S333 WeakPolarHBondContact O-CB 3.43Å; R329-S333 PolarHBondContact O-N 2.61Å; F330-S333 WeakPolarHBondContact O-CB 3.33Å; F330-S333 PolarHBondContact O-N 2.99Å; F330-S333 VanDerWaalsContact O-N 3.07Å; S333-Q335 PolarHBondContact O-N 3.38Å; S333-I336 WeakPolarHBondContact O-CB 3.41Å; S333-I336 PolarHBondContact O-N 3.3Å; S333-I336 VanDerWaalsContact O-N 3.15Å; S333-I337 WeakPolarHBondContact O-CG1 3.28Å; S333-I337 PolarHBondContact O-N 3.12Å |
| 334 | K | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 104.2 Ų | 104.2 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56 | -48 | 173.7 | 170.5 | -178.5 | 158.6 | -149.5 | 0 | 112 | F330 E331 I336 I337 E338 | F330-K334 HydrophobicContact CE1-CD 4.12Å; F330-K334 WeakPolarHBondContact O-CB 3.5Å; F330-K334 PolarHBondContact O-N 2.93Å; E331-K334 IonicContact OE1-NZ 3.54Å; E331-K334 PolarHBondContact OE1-NZ 2.91Å; E331-K334 IonicContact OE2-NZ 3.53Å; E331-K334 PolarHBondContact OE2-NZ 3.28Å; K334-I336 VanDerWaalsContact C-N 3.3Å; K334-I336 PolarHBondContact O-N 3.07Å; K334-I337 PolarHBondContact O-N 3.17Å; K334-I337 VanDerWaalsContact O-N 3.16Å; K334-E338 WeakPolarHBondContact CE-OE1 3.34Å; K334-E338 VanDerWaalsContact CG-OE1 3.27Å; K334-E338 WeakPolarHBondContact CG-OE1 3.41Å; K334-E338 WeakPolarHBondContact O-CG 3.25Å; K334-E338 PolarHBondContact O-N 3.44Å |
| 335 | Q | 98.5 | Very high | 98.5 | Very high | 138 Ų | 138 | 107.4 Ų | 107.4 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -39.1 | 175.6 | -171.2 | -178 | 23.7 | 0 | 0 | 112.6 | E331 K332 S333 G339 | E331-Q335 WeakPolarHBondContact O-CB 3.49Å; E331-Q335 PolarHBondContact O-N 3.09Å; K332-Q335 PolarHBondContact O-N 2.98Å; S333-Q335 PolarHBondContact O-N 3.38Å; Q335-G339 PolarHBondContact O-N 2.92Å |
| 336 | I | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 106.3 Ų | 106.3 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 176 | -69.2 | 164.5 | 0 | 0 | 0 | 110.9 | K332 S333 K334 G339 F340 | K332-I336 HydrophobicContact CG-CD1 4.12Å; K332-I336 WeakPolarHBondContact O-CG1 3.37Å; K332-I336 PolarHBondContact O-N 3.07Å; K332-I336 VanDerWaalsContact O-N 3.13Å; S333-I336 WeakPolarHBondContact O-CB 3.41Å; S333-I336 PolarHBondContact O-N 3.3Å; S333-I336 VanDerWaalsContact O-N 3.15Å; K334-I336 VanDerWaalsContact C-N 3.3Å; K334-I336 PolarHBondContact O-N 3.07Å; I336-G339 PolarHBondContact O-N 3.35Å; I336-F340 HydrophobicContact CG2-CD2 3.85Å; I336-F340 HydrophobicContact CG2-CE2 3.4Å; I336-F340 VanDerWaalsContact CG2-CE2 3.4Å; I336-F340 HydrophobicContact CG2-CZ 3.92Å; I336-F340 WeakPolarHBondContact O-CD2 3.35Å; I336-F340 PolarHBondContact O-N 3.03Å |
| 337 | I | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 105.6 Ų | 105.6 | 43% | 0.426 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 177 | -67.9 | 162.7 | 0 | 0 | 0 | 111.3 | S333 K334 F340 K341 | S333-I337 WeakPolarHBondContact O-CG1 3.28Å; S333-I337 PolarHBondContact O-N 3.12Å; K334-I337 PolarHBondContact O-N 3.17Å; K334-I337 VanDerWaalsContact O-N 3.16Å; I337-F340 PolarHBondContact O-N 3.46Å; I337-K341 WeakPolarHBondContact O-CG 3.28Å; I337-K341 PolarHBondContact O-N 3.35Å |
| 338 | E | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 105.8 Ų | 105.8 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.9 | -73.2 | 167.7 | -169 | 0 | 0 | 111.3 | K334 K341 Q342 | K334-E338 WeakPolarHBondContact CE-OE1 3.34Å; K334-E338 VanDerWaalsContact CG-OE1 3.27Å; K334-E338 WeakPolarHBondContact CG-OE1 3.41Å; K334-E338 WeakPolarHBondContact O-CG 3.25Å; K334-E338 PolarHBondContact O-N 3.44Å; E338-K341 PolarHBondContact O-N 2.93Å; E338-Q342 WeakPolarHBondContact O-CG 3.35Å; E338-Q342 PolarHBondContact O-N 3.13Å; E338-Q342 VanDerWaalsContact O-N 3.12Å |
| 339 | G | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 102 Ų | 102 | 37% | 0.371 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q335 I336 Q342 N343 | Q335-G339 PolarHBondContact O-N 2.92Å; I336-G339 PolarHBondContact O-N 3.35Å; G339-Q342 PolarHBondContact O-N 3.16Å; G339-N343 PolarHBondContact O-N 3.15Å; G339-N343 VanDerWaalsContact O-N 3.07Å |
| 340 | F | 98.4 | Very high | 98.5 | Very high | 137 Ų | 137 | 94.8 Ų | 94.8 | 60% | 0.601 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 175.2 | -71.6 | -38.4 | 0 | 0 | 0 | 112.6 | I336 I337 N343 E344 | I336-F340 HydrophobicContact CG2-CD2 3.85Å; I336-F340 HydrophobicContact CG2-CE2 3.4Å; I336-F340 VanDerWaalsContact CG2-CE2 3.4Å; I336-F340 HydrophobicContact CG2-CZ 3.92Å; I336-F340 WeakPolarHBondContact O-CD2 3.35Å; I336-F340 PolarHBondContact O-N 3.03Å; I337-F340 PolarHBondContact O-N 3.46Å; F340-N343 PolarHBondContact O-N 3.48Å; F340-E344 WeakPolarHBondContact O-CB 3.47Å; F340-E344 PolarHBondContact O-N 3.26Å |
| 341 | K | 98.7 | Very high | 98.5 | Very high | 123 Ų | 123 | 93.2 Ų | 93.2 | 54% | 0.535 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.1 | -74.2 | 175.6 | 177.6 | -176.8 | 0 | 112.4 | I337 E338 N343 E344 E345 | I337-K341 WeakPolarHBondContact O-CG 3.28Å; I337-K341 PolarHBondContact O-N 3.35Å; E338-K341 PolarHBondContact O-N 2.93Å; K341-N343 VanDerWaalsContact C-N 3.31Å; K341-N343 PolarHBondContact O-N 3.07Å; K341-E344 PolarHBondContact O-N 2.97Å; K341-E345 PolarHBondContact O-N 2.86Å |
| 342 | Q | 98.6 | Very high | 98.5 | Very high | 139 Ų | 139 | 93.7 Ų | 93.7 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.5 | -38.8 | 176.6 | -69.9 | 172.6 | 13.9 | 0 | 0 | 112 | E338 G339 A346 | E338-Q342 WeakPolarHBondContact O-CG 3.35Å; E338-Q342 PolarHBondContact O-N 3.13Å; E338-Q342 VanDerWaalsContact O-N 3.12Å; G339-Q342 PolarHBondContact O-N 3.16Å; Q342-A346 PolarHBondContact O-N 2.86Å |
| 343 | N | 98.4 | Very high | 98.5 | Very high | 88 Ų | 88 | 93.2 Ų | 93.2 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 173.8 | -169.2 | 12.2 | 0 | 0 | 0 | 111.9 | G339 F340 K341 E345 A346 L347 | G339-N343 PolarHBondContact O-N 3.15Å; G339-N343 VanDerWaalsContact O-N 3.07Å; F340-N343 PolarHBondContact O-N 3.48Å; K341-N343 VanDerWaalsContact C-N 3.31Å; K341-N343 PolarHBondContact O-N 3.07Å; N343-E345 VanDerWaalsContact C-N 3.32Å; N343-E345 PolarHBondContact O-N 3.45Å; N343-A346 PolarHBondContact O-N 3.49Å; N343-A346 VanDerWaalsContact O-N 3.13Å; N343-L347 WeakPolarHBondContact O-CG 3.33Å; N343-L347 PolarHBondContact O-N 3.36Å |
| 344 | E | 98.3 | Very high | 98.5 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.5 | -41.8 | 176 | -166.2 | -165.2 | 162.2 | 0 | 0 | 112 | F340 K341 K348 | F340-E344 WeakPolarHBondContact O-CB 3.47Å; F340-E344 PolarHBondContact O-N 3.26Å; K341-E344 PolarHBondContact O-N 2.97Å; E344-K348 HydrophobicContact CG-CD 4.5Å; E344-K348 WeakPolarHBondContact O-CB 3.4Å; E344-K348 VanDerWaalsContact O-CG 3.28Å; E344-K348 WeakPolarHBondContact O-CG 3.44Å; E344-K348 PolarHBondContact O-N 3.44Å; E344-K348 WeakPolarHBondContact OE1-CE 3.19Å; E344-K348 IonicContact OE1-NZ 2.69Å; E344-K348 PolarHBondContact OE1-NZ 3.36Å |
| 345 | E | 98.6 | Very high | 98.5 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 173.5 | -79 | -172.3 | -146.6 | 0 | 0 | 113.5 | K341 N343 K349 | K341-E345 PolarHBondContact O-N 2.86Å; N343-E345 VanDerWaalsContact C-N 3.32Å; N343-E345 PolarHBondContact O-N 3.45Å; E345-K349 WeakPolarHBondContact O-CD 3.46Å; E345-K349 VanDerWaalsContact O-CG 3.28Å; E345-K349 WeakPolarHBondContact O-CG 3.47Å; E345-K349 PolarHBondContact O-N 2.87Å; E345-K349 VanDerWaalsContact O-N 3.09Å; E345-K349 IonicContact OE2-NZ 2.67Å; E345-K349 PolarHBondContact OE2-NZ 3.02Å |
| 346 | A | 98.4 | Very high | 98.5 | Very high | 54 Ų | 54 | 95.8 Ų | 95.8 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q342 N343 K349 S350 | Q342-A346 PolarHBondContact O-N 2.86Å; N343-A346 PolarHBondContact O-N 3.49Å; N343-A346 VanDerWaalsContact O-N 3.13Å; A346-K349 PolarHBondContact O-N 3.27Å; A346-S350 PolarHBondContact O-N 3.13Å |
| 347 | L | 98.5 | Very high | 98.4 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.5 | -70.3 | 168.8 | 0 | 0 | 0 | 111.9 | N343 S350 I351 | N343-L347 WeakPolarHBondContact O-CG 3.33Å; N343-L347 PolarHBondContact O-N 3.36Å; L347-S350 PolarHBondContact O-N 3.17Å; L347-I351 WeakPolarHBondContact O-CB 3.33Å; L347-I351 WeakPolarHBondContact O-CD1 3.4Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.47Å; L347-I351 PolarHBondContact O-N 3.43Å |
| 348 | K | 98.7 | Very high | 98.4 | Very high | 107 Ų | 107 | 96.5 Ų | 96.5 | 47% | 0.465 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.6 | -76.6 | 169.5 | -176.7 | 170.1 | 0 | 112.2 | E344 I351 D352 | E344-K348 HydrophobicContact CG-CD 4.5Å; E344-K348 WeakPolarHBondContact O-CB 3.4Å; E344-K348 VanDerWaalsContact O-CG 3.28Å; E344-K348 WeakPolarHBondContact O-CG 3.44Å; E344-K348 PolarHBondContact O-N 3.44Å; E344-K348 WeakPolarHBondContact OE1-CE 3.19Å; E344-K348 IonicContact OE1-NZ 2.69Å; E344-K348 PolarHBondContact OE1-NZ 3.36Å; K348-I351 PolarHBondContact O-N 3.04Å; K348-D352 PolarHBondContact O-N 3.21Å |
| 349 | K | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 96.8 Ų | 96.8 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.7 | -49 | 176.6 | -70.2 | 158.7 | -168.5 | 157.7 | 0 | 111 | E345 A346 I351 D352 E353 | E345-K349 WeakPolarHBondContact O-CD 3.46Å; E345-K349 VanDerWaalsContact O-CG 3.28Å; E345-K349 WeakPolarHBondContact O-CG 3.47Å; E345-K349 PolarHBondContact O-N 2.87Å; E345-K349 VanDerWaalsContact O-N 3.09Å; E345-K349 IonicContact OE2-NZ 2.67Å; E345-K349 PolarHBondContact OE2-NZ 3.02Å; A346-K349 PolarHBondContact O-N 3.27Å; K349-I351 PolarHBondContact O-N 2.99Å; K349-D352 PolarHBondContact O-N 3.49Å; K349-D352 VanDerWaalsContact O-N 3.13Å; K349-E353 WeakPolarHBondContact O-CG 3.39Å; K349-E353 PolarHBondContact O-N 3Å |
| 350 | S | 98.1 | Very high | 98.4 | Very high | 31 Ų | 31 | 99 Ų | 99 | 22% | 0.217 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 176.3 | -179.9 | 0 | 0 | 0 | 0 | 113 | A346 L347 D352 E353 Y354 | A346-S350 PolarHBondContact O-N 3.13Å; L347-S350 PolarHBondContact O-N 3.17Å; S350-D352 PolarHBondContact O-N 2.68Å; S350-E353 PolarHBondContact O-N 2.97Å; S350-Y354 WeakPolarHBondContact O-CD2 3.25Å; S350-Y354 PolarHBondContact O-N 2.93Å; S350-Y354 WeakPolarHBondContact OG-CE2 3.46Å |
| 351 | I | 98.5 | Very high | 98.4 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 46% | 0.456 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.7 | -75.1 | 165.6 | 0 | 0 | 0 | 111.6 | L347 K348 K349 Y354 K355 | L347-I351 WeakPolarHBondContact O-CB 3.33Å; L347-I351 WeakPolarHBondContact O-CD1 3.4Å; L347-I351 VanDerWaalsContact O-CG1 3.25Å; L347-I351 WeakPolarHBondContact O-CG1 3.47Å; L347-I351 PolarHBondContact O-N 3.43Å; K348-I351 PolarHBondContact O-N 3.04Å; K349-I351 PolarHBondContact O-N 2.99Å; I351-Y354 PolarHBondContact O-N 3.46Å; I351-K355 HydrophobicContact CG2-CD 4.4Å; I351-K355 VanDerWaalsContact CG2-CE 3.47Å; I351-K355 WeakPolarHBondContact O-CG 3.36Å; I351-K355 PolarHBondContact O-N 2.96Å |
| 352 | D | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 95.9 Ų | 95.9 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.9 | -30.4 | 179.9 | -69.8 | -25.1 | 0 | 0 | 0 | 112.9 | K348 K349 S350 K355 S356 | K348-D352 PolarHBondContact O-N 3.21Å; K349-D352 PolarHBondContact O-N 3.49Å; K349-D352 VanDerWaalsContact O-N 3.13Å; S350-D352 PolarHBondContact O-N 2.68Å; D352-K355 WeakPolarHBondContact OD1-CD 3.49Å; D352-K355 WeakPolarHBondContact OD1-CE 3.48Å; D352-K355 IonicContact OD1-NZ 3.7Å; D352-K355 PolarHBondContact OD1-NZ 3.27Å; D352-S356 WeakPolarHBondContact O-CB 3.36Å; D352-S356 PolarHBondContact O-N 2.93Å; D352-S356 PolarHBondContact O-OG 3.36Å |
| 353 | E | 98.3 | Very high | 98.4 | Very high | 128 Ų | 128 | 96.8 Ų | 96.8 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.6 | -48.6 | 166.4 | -72.6 | 163.6 | -163.4 | 0 | 0 | 111.1 | K349 S350 K355 S356 L357 | K349-E353 WeakPolarHBondContact O-CG 3.39Å; K349-E353 PolarHBondContact O-N 3Å; S350-E353 PolarHBondContact O-N 2.97Å; E353-K355 PolarHBondContact O-N 3.04Å; E353-S356 PolarHBondContact O-N 3.47Å; E353-L357 WeakPolarHBondContact O-CB 3.37Å; E353-L357 PolarHBondContact O-N 2.85Å |
| 354 | Y | 98.5 | Very high | 98.3 | Very high | 152 Ų | 152 | 95.5 Ų | 95.5 | 60% | 0.596 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 176.9 | -71.8 | -51.1 | 0 | 0 | 0 | 112.9 | S350 I351 S356 L357 L358 | S350-Y354 WeakPolarHBondContact O-CD2 3.25Å; S350-Y354 PolarHBondContact O-N 2.93Å; S350-Y354 WeakPolarHBondContact OG-CE2 3.46Å; I351-Y354 PolarHBondContact O-N 3.46Å; Y354-S356 VanDerWaalsContact C-N 3.33Å; Y354-S356 PolarHBondContact O-N 2.81Å; Y354-L357 PolarHBondContact O-N 2.77Å; Y354-L358 VanDerWaalsContact O-CB 3.29Å; Y354-L358 WeakPolarHBondContact O-CB 3.36Å; Y354-L358 PolarHBondContact O-N 3.29Å |
| 355 | K | 98.7 | Very high | 98.3 | Very high | 108 Ų | 108 | 97.9 Ų | 97.9 | 47% | 0.47 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 171.3 | -72.6 | 170.4 | -165.1 | 158.3 | 0 | 111.3 | I351 D352 E353 L358 Q359 | I351-K355 HydrophobicContact CG2-CD 4.4Å; I351-K355 VanDerWaalsContact CG2-CE 3.47Å; I351-K355 WeakPolarHBondContact O-CG 3.36Å; I351-K355 PolarHBondContact O-N 2.96Å; D352-K355 WeakPolarHBondContact OD1-CD 3.49Å; D352-K355 WeakPolarHBondContact OD1-CE 3.48Å; D352-K355 IonicContact OD1-NZ 3.7Å; D352-K355 PolarHBondContact OD1-NZ 3.27Å; E353-K355 PolarHBondContact O-N 3.04Å; K355-L358 PolarHBondContact O-N 3.21Å; K355-Q359 WeakPolarHBondContact O-CG 3.45Å; K355-Q359 PolarHBondContact O-N 3.1Å |
| 356 | S | 98.2 | Very high | 98.3 | Very high | 73 Ų | 73 | 97.2 Ų | 97.2 | 51% | 0.51 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | -179.3 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | D352 E353 Y354 R360 | D352-S356 WeakPolarHBondContact O-CB 3.36Å; D352-S356 PolarHBondContact O-N 2.93Å; D352-S356 PolarHBondContact O-OG 3.36Å; E353-S356 PolarHBondContact O-N 3.47Å; Y354-S356 VanDerWaalsContact C-N 3.33Å; Y354-S356 PolarHBondContact O-N 2.81Å; S356-R360 WeakPolarHBondContact O-CB 3.43Å; S356-R360 PolarHBondContact O-N 3.01Å |
| 357 | L | 98 | Very high | 98.3 | Very high | 54 Ų | 54 | 97.6 Ų | 97.6 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 174.4 | -178.3 | 59.6 | 0 | 0 | 0 | 111.8 | I161 E353 Y354 R360 Q361 | I161-L357 HydrophobicContact CD1-CD1 4.07Å; E353-L357 WeakPolarHBondContact O-CB 3.37Å; E353-L357 PolarHBondContact O-N 2.85Å; Y354-L357 PolarHBondContact O-N 2.77Å; L357-R360 WeakPolarHBondContact O-CB 3.43Å; L357-R360 PolarHBondContact O-N 3.18Å; L357-Q361 HydrophobicContact CD1-CG 4.4Å; L357-Q361 WeakPolarHBondContact O-CG 3.42Å; L357-Q361 PolarHBondContact O-N 2.84Å |
| 358 | L | 98.3 | Very high | 98.3 | Very high | 122 Ų | 122 | 97.1 Ų | 97.1 | 64% | 0.639 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 177.2 | 179.5 | 60.7 | 0 | 0 | 0 | 111.2 | Y354 K355 R360 Q361 E362 | Y354-L358 VanDerWaalsContact O-CB 3.29Å; Y354-L358 WeakPolarHBondContact O-CB 3.36Å; Y354-L358 PolarHBondContact O-N 3.29Å; K355-L358 PolarHBondContact O-N 3.21Å; L358-R360 VanDerWaalsContact C-N 3.28Å; L358-R360 PolarHBondContact O-N 3.06Å; L358-Q361 PolarHBondContact O-N 3.47Å; L358-E362 WeakPolarHBondContact O-CB 3.28Å; L358-E362 PolarHBondContact O-N 3.25Å |
| 359 | Q | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 96.3 Ų | 96.3 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.7 | -32 | 175.8 | -70.4 | -177.4 | 11.6 | 0 | 0 | 113.3 | K355 R363 | K355-Q359 WeakPolarHBondContact O-CG 3.45Å; K355-Q359 PolarHBondContact O-N 3.1Å; Q359-R363 WeakPolarHBondContact O-CB 3.27Å; Q359-R363 VanDerWaalsContact O-CG 3.3Å; Q359-R363 WeakPolarHBondContact O-CG 3.4Å; Q359-R363 PolarHBondContact O-N 3.46Å; Q359-R363 VanDerWaalsContact O-N 3.11Å; Q359-R363 PolarHBondContact O-NE 2.9Å; Q359-R363 VanDerWaalsContact O-NE 3.09Å |
| 360 | R | 98.3 | Very high | 98.2 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 31% | 0.313 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 174.2 | -178.1 | 165 | 76.7 | 141.9 | -1 | 110.8 | L157 Q158 S356 L357 L358 K364 | L157-R360 PolarHBondContact O-NH1 3.4Å; Q158-R360 VanDerWaalsContact CD-NH2 3.31Å; S356-R360 WeakPolarHBondContact O-CB 3.43Å; S356-R360 PolarHBondContact O-N 3.01Å; L357-R360 WeakPolarHBondContact O-CB 3.43Å; L357-R360 PolarHBondContact O-N 3.18Å; L358-R360 VanDerWaalsContact C-N 3.28Å; L358-R360 PolarHBondContact O-N 3.06Å; R360-K364 PolarHBondContact O-N 2.67Å |
| 361 | Q | 97 | Very high | 98.2 | Very high | 83 Ų | 83 | 98.9 Ų | 98.9 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 177.7 | -64.5 | -72.1 | 43.8 | 0 | 0 | 112.3 | Q158 L357 L358 K364 Y365 | Q158-Q361 VanDerWaalsContact NE2-CD 3.26Å; L357-Q361 HydrophobicContact CD1-CG 4.4Å; L357-Q361 WeakPolarHBondContact O-CG 3.42Å; L357-Q361 PolarHBondContact O-N 2.84Å; L358-Q361 PolarHBondContact O-N 3.47Å; Q361-K364 PolarHBondContact O-N 3.1Å; Q361-Y365 WeakPolarHBondContact O-CB 3.49Å; Q361-Y365 PolarHBondContact O-N 3.1Å |
| 362 | E | 98.5 | Very high | 98.2 | Very high | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 174.5 | -177.8 | 178.7 | -152.9 | 0 | 0 | 111.3 | L358 K364 Y365 L366 | L358-E362 WeakPolarHBondContact O-CB 3.28Å; L358-E362 PolarHBondContact O-N 3.25Å; E362-K364 VanDerWaalsContact C-N 3.35Å; E362-K364 PolarHBondContact O-N 3.03Å; E362-Y365 PolarHBondContact O-N 2.85Å; E362-L366 HydrophobicContact CG-CD1 4.06Å; E362-L366 WeakPolarHBondContact O-CB 3.37Å; E362-L366 WeakPolarHBondContact O-CG 3.44Å; E362-L366 PolarHBondContact O-N 3.48Å |
| 363 | R | 98.4 | Very high | 98.2 | Very high | 159 Ų | 159 | 98.2 Ų | 98.2 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.4 | -42.9 | 174 | -76.3 | 176.5 | -108.6 | 168.6 | -10.5 | 112.2 | Q359 A367 | Q359-R363 WeakPolarHBondContact O-CB 3.27Å; Q359-R363 VanDerWaalsContact O-CG 3.3Å; Q359-R363 WeakPolarHBondContact O-CG 3.4Å; Q359-R363 PolarHBondContact O-N 3.46Å; Q359-R363 VanDerWaalsContact O-N 3.11Å; Q359-R363 PolarHBondContact O-NE 2.9Å; Q359-R363 VanDerWaalsContact O-NE 3.09Å; R363-A367 WeakPolarHBondContact O-CB 3.37Å; R363-A367 PolarHBondContact O-N 3.23Å |
| 364 | K | 97.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 95.7 Ų | 95.7 | 26% | 0.261 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.9 | -176.7 | 174.5 | 177 | 175.4 | 0 | 111.8 | V154 R360 Q361 E362 A367 L368 | V154-K364 HydrophobicContact CG1-CD 3.84Å; V154-K364 HydrophobicContact CG1-CG 4.07Å; V154-K364 PolarHBondContact O-NZ 3.26Å; R360-K364 PolarHBondContact O-N 2.67Å; Q361-K364 PolarHBondContact O-N 3.1Å; E362-K364 VanDerWaalsContact C-N 3.35Å; E362-K364 PolarHBondContact O-N 3.03Å; K364-A367 PolarHBondContact O-N 3.19Å; K364-L368 WeakPolarHBondContact O-CB 3.39Å; K364-L368 PolarHBondContact O-N 3.3Å |
| 365 | Y | 98.6 | Very high | 98.2 | Very high | 149 Ų | 149 | 91.2 Ų | 91.2 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.7 | -46.9 | 177 | 171.3 | -102 | 0 | 0 | 0 | 112.1 | Q361 E362 A367 L368 K369 | Q361-Y365 WeakPolarHBondContact O-CB 3.49Å; Q361-Y365 PolarHBondContact O-N 3.1Å; E362-Y365 PolarHBondContact O-N 2.85Å; Y365-A367 PolarHBondContact O-N 3.11Å; Y365-L368 PolarHBondContact O-N 2.86Å; Y365-K369 HydrophobicContact CE1-CD 4.41Å; Y365-K369 VanDerWaalsContact O-CB 3.26Å; Y365-K369 WeakPolarHBondContact O-CB 3.35Å; Y365-K369 PolarHBondContact O-N 2.96Å |
| 366 | L | 98.4 | Very high | 98.1 | Very high | 91 Ų | 91 | 91.2 Ų | 91.2 | 48% | 0.476 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 179.2 | -70.1 | 173.3 | 0 | 0 | 0 | 112.2 | E362 K370 | E362-L366 HydrophobicContact CG-CD1 4.06Å; E362-L366 WeakPolarHBondContact O-CB 3.37Å; E362-L366 WeakPolarHBondContact O-CG 3.44Å; E362-L366 PolarHBondContact O-N 3.48Å; L366-K370 WeakPolarHBondContact O-CB 3.28Å; L366-K370 PolarHBondContact O-N 2.88Å |
| 367 | A | 97.7 | Very high | 98.2 | Very high | 63 Ų | 63 | 92.3 Ų | 92.3 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -46 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R363 K364 Y365 K370 H371 | R363-A367 WeakPolarHBondContact O-CB 3.37Å; R363-A367 PolarHBondContact O-N 3.23Å; K364-A367 PolarHBondContact O-N 3.19Å; Y365-A367 PolarHBondContact O-N 3.11Å; A367-K370 PolarHBondContact O-N 3.09Å; A367-H371 WeakPolarHBondContact O-CB 3.49Å; A367-H371 PolarHBondContact O-N 3.03Å |
| 368 | L | 97.8 | Very high | 98.2 | Very high | 84 Ų | 84 | 93.9 Ų | 93.9 | 44% | 0.44 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.3 | 179.1 | 55.1 | 0 | 0 | 0 | 112.1 | L151 K364 Y365 H371 A372 | L151-L368 HydrophobicContact CD2-CD1 3.66Å; K364-L368 WeakPolarHBondContact O-CB 3.39Å; K364-L368 PolarHBondContact O-N 3.3Å; Y365-L368 PolarHBondContact O-N 2.86Å; L368-H371 PolarHBondContact O-N 3.06Å; L368-A372 PolarHBondContact O-N 2.79Å |
| 369 | K | 98.5 | Very high | 98.1 | Very high | 90 Ų | 90 | 91.7 Ų | 91.7 | 39% | 0.391 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.3 | -51.3 | 175 | 177.4 | -178.2 | 166.6 | -179 | 0 | 110.6 | Y365 H371 A372 E373 | Y365-K369 HydrophobicContact CE1-CD 4.41Å; Y365-K369 VanDerWaalsContact O-CB 3.26Å; Y365-K369 WeakPolarHBondContact O-CB 3.35Å; Y365-K369 PolarHBondContact O-N 2.96Å; K369-H371 VanDerWaalsContact C-N 3.31Å; K369-H371 PolarHBondContact O-N 3.3Å; K369-A372 PolarHBondContact O-N 3.01Å; K369-A372 VanDerWaalsContact O-N 3.15Å; K369-E373 WeakPolarHBondContact CE-OE1 3.47Å; K369-E373 HydrophobicContact CG-CG 4.46Å; K369-E373 IonicContact NZ-OE1 3.98Å; K369-E373 WeakPolarHBondContact O-CG 3.24Å; K369-E373 PolarHBondContact O-N 3.35Å |
| 370 | K | 98.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 91.4 Ų | 91.4 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 177.7 | -167.1 | -165.9 | 178.9 | -90 | 0 | 111.4 | L366 A367 A372 E373 D374 | L366-K370 WeakPolarHBondContact O-CB 3.28Å; L366-K370 PolarHBondContact O-N 2.88Å; A367-K370 PolarHBondContact O-N 3.09Å; K370-A372 VanDerWaalsContact C-N 3.32Å; K370-A372 PolarHBondContact O-N 2.87Å; K370-E373 PolarHBondContact O-N 3.1Å; K370-D374 IonicContact NZ-OD1 3.79Å; K370-D374 IonicContact NZ-OD2 2.7Å; K370-D374 PolarHBondContact NZ-OD2 3.1Å; K370-D374 WeakPolarHBondContact O-CB 3.49Å; K370-D374 VanDerWaalsContact O-CG 3.3Å; K370-D374 PolarHBondContact O-N 3.02Å |
| 371 | H | 97.9 | Very high | 98.1 | Very high | 80 Ų | 80 | 93.1 Ų | 93.1 | 37% | 0.37 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 177.6 | -177.6 | -124.9 | 0 | 0 | 0 | 112.7 | A367 L368 K369 Q375 | A367-H371 WeakPolarHBondContact O-CB 3.49Å; A367-H371 PolarHBondContact O-N 3.03Å; L368-H371 PolarHBondContact O-N 3.06Å; K369-H371 VanDerWaalsContact C-N 3.31Å; K369-H371 PolarHBondContact O-N 3.3Å; H371-Q375 PolarHBondContact CE1-NE2 2.96Å; H371-Q375 WeakPolarHBondContact O-CB 3.42Å; H371-Q375 WeakPolarHBondContact O-CG 3.35Å; H371-Q375 PolarHBondContact O-N 3.39Å |
| 372 | A | 97.5 | Very high | 98.1 | Very high | 56 Ų | 56 | 92.4 Ų | 92.4 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L368 K369 K370 L376 | L368-A372 PolarHBondContact O-N 2.79Å; K369-A372 PolarHBondContact O-N 3.01Å; K369-A372 VanDerWaalsContact O-N 3.15Å; K370-A372 VanDerWaalsContact C-N 3.32Å; K370-A372 PolarHBondContact O-N 2.87Å; A372-L376 VanDerWaalsContact O-CB 3.29Å; A372-L376 WeakPolarHBondContact O-CB 3.22Å; A372-L376 PolarHBondContact O-N 3.29Å |
| 373 | E | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 90.1 Ų | 90.1 | 47% | 0.472 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 175.2 | -70.4 | 171.9 | 149.6 | 0 | 0 | 111.8 | K369 K370 L376 L377 | K369-E373 WeakPolarHBondContact CE-OE1 3.47Å; K369-E373 HydrophobicContact CG-CG 4.46Å; K369-E373 IonicContact NZ-OE1 3.98Å; K369-E373 WeakPolarHBondContact O-CG 3.24Å; K369-E373 PolarHBondContact O-N 3.35Å; K370-E373 PolarHBondContact O-N 3.1Å; E373-L376 PolarHBondContact O-N 3.33Å; E373-L377 WeakPolarHBondContact O-CB 3.47Å; E373-L377 PolarHBondContact O-N 2.87Å |
| 374 | D | 98.3 | Very high | 98.1 | Very high | 74 Ų | 74 | 86.5 Ų | 86.5 | 40% | 0.396 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.9 | -72.6 | -28.5 | 0 | 0 | 0 | 111.4 | K370 L377 K378 | K370-D374 IonicContact NZ-OD1 3.79Å; K370-D374 IonicContact NZ-OD2 2.7Å; K370-D374 PolarHBondContact NZ-OD2 3.1Å; K370-D374 WeakPolarHBondContact O-CB 3.49Å; K370-D374 VanDerWaalsContact O-CG 3.3Å; K370-D374 PolarHBondContact O-N 3.02Å; D374-L377 PolarHBondContact O-N 2.87Å; D374-K378 PolarHBondContact O-N 3.16Å |
| 375 | Q | 98.2 | Very high | 98.1 | Very high | 58 Ų | 58 | 85.4 Ų | 85.4 | 27% | 0.271 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 175.8 | -78 | -164.3 | 96 | 0 | 0 | 112.9 | I147 H371 L377 K378 V379 | I147-Q375 VanDerWaalsContact CD1-OE1 3.29Å; H371-Q375 PolarHBondContact CE1-NE2 2.96Å; H371-Q375 WeakPolarHBondContact O-CB 3.42Å; H371-Q375 WeakPolarHBondContact O-CG 3.35Å; H371-Q375 PolarHBondContact O-N 3.39Å; Q375-L377 VanDerWaalsContact C-N 3.31Å; Q375-L377 PolarHBondContact O-N 2.97Å; Q375-K378 PolarHBondContact O-N 2.99Å; Q375-V379 WeakPolarHBondContact O-CG2 3.38Å; Q375-V379 PolarHBondContact O-N 3.19Å |
| 376 | L | 98.3 | Very high | 98.1 | Very high | 108 Ų | 108 | 83.8 Ų | 83.8 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 175.3 | 178.3 | 60.6 | 0 | 0 | 0 | 111.1 | A372 E373 N380 | A372-L376 VanDerWaalsContact O-CB 3.29Å; A372-L376 WeakPolarHBondContact O-CB 3.22Å; A372-L376 PolarHBondContact O-N 3.29Å; E373-L376 PolarHBondContact O-N 3.33Å; L376-N380 WeakPolarHBondContact O-CB 3.39Å; L376-N380 PolarHBondContact O-N 3Å; L376-N380 PolarHBondContact O-ND2 2.92Å |
| 377 | L | 98.3 | Very high | 98 | Very high | 97 Ų | 97 | 84.9 Ų | 84.9 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.4 | -179.5 | 60.4 | 0 | 0 | 0 | 111.4 | E373 D374 Q375 N380 Q381 | E373-L377 WeakPolarHBondContact O-CB 3.47Å; E373-L377 PolarHBondContact O-N 2.87Å; D374-L377 PolarHBondContact O-N 2.87Å; Q375-L377 VanDerWaalsContact C-N 3.31Å; Q375-L377 PolarHBondContact O-N 2.97Å; L377-N380 PolarHBondContact O-N 2.94Å; L377-Q381 WeakPolarHBondContact O-CG 3.48Å; L377-Q381 PolarHBondContact O-N 3.02Å |
| 378 | K | 98 | Very high | 98.1 | Very high | 87 Ų | 87 | 87 Ų | 87 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.6 | -51.7 | 175.8 | -169.9 | -162.3 | 172.1 | -165.9 | 0 | 111.8 | D374 Q375 N380 Q381 D382 | D374-K378 PolarHBondContact O-N 3.16Å; Q375-K378 PolarHBondContact O-N 2.99Å; K378-N380 VanDerWaalsContact C-N 3.25Å; K378-N380 PolarHBondContact O-N 3.38Å; K378-Q381 WeakPolarHBondContact O-CB 3.41Å; K378-Q381 PolarHBondContact O-N 3.02Å; K378-D382 VanDerWaalsContact CE-OD2 3.29Å; K378-D382 WeakPolarHBondContact CE-OD2 3.2Å; K378-D382 PolarHBondContact O-N 2.78Å |
| 379 | V | 97.3 | Very high | 98.1 | Very high | 76 Ų | 76 | 89 Ų | 89 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.8 | -35.6 | -179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | Q375 T383 | Q375-V379 WeakPolarHBondContact O-CG2 3.38Å; Q375-V379 PolarHBondContact O-N 3.19Å; V379-T383 WeakPolarHBondContact O-CB 3.28Å; V379-T383 PolarHBondContact O-N 3.25Å; V379-T383 PolarHBondContact O-OG1 2.98Å |
| 380 | N | 97.8 | Very high | 98.1 | Very high | 92 Ų | 92 | 92.5 Ų | 92.5 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 173.1 | -77 | -51.2 | 0 | 0 | 0 | 112.6 | L376 L377 K378 E384 | L376-N380 WeakPolarHBondContact O-CB 3.39Å; L376-N380 PolarHBondContact O-N 3Å; L376-N380 PolarHBondContact O-ND2 2.92Å; L377-N380 PolarHBondContact O-N 2.94Å; K378-N380 VanDerWaalsContact C-N 3.25Å; K378-N380 PolarHBondContact O-N 3.38Å; N380-E384 WeakPolarHBondContact O-CB 3.43Å; N380-E384 PolarHBondContact O-N 3.09Å |
| 381 | Q | 98.2 | Very high | 98.1 | Very high | 119 Ų | 119 | 93 Ų | 93 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.9 | -47 | 175.5 | -71.1 | 172.5 | 2.5 | 0 | 0 | 111.8 | L377 K378 T383 E384 G385 | L377-Q381 WeakPolarHBondContact O-CG 3.48Å; L377-Q381 PolarHBondContact O-N 3.02Å; K378-Q381 WeakPolarHBondContact O-CB 3.41Å; K378-Q381 PolarHBondContact O-N 3.02Å; Q381-T383 VanDerWaalsContact C-N 3.34Å; Q381-T383 PolarHBondContact O-N 3.38Å; Q381-E384 PolarHBondContact O-N 3.17Å; Q381-G385 PolarHBondContact O-N 2.85Å |
| 382 | D | 97.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 93.7 Ų | 93.7 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 176.4 | -67.4 | -20.8 | 0 | 0 | 0 | 110.6 | K378 E384 G385 I386 | K378-D382 VanDerWaalsContact CE-OD2 3.29Å; K378-D382 WeakPolarHBondContact CE-OD2 3.2Å; K378-D382 PolarHBondContact O-N 2.78Å; D382-E384 PolarHBondContact O-N 3.28Å; D382-G385 PolarHBondContact O-N 3.47Å; D382-I386 WeakPolarHBondContact O-CD1 3.49Å; D382-I386 VanDerWaalsContact O-CG1 3.28Å; D382-I386 WeakPolarHBondContact O-CG1 3.48Å; D382-I386 PolarHBondContact O-N 3.23Å |
| 383 | T | 97.8 | Very high | 98.1 | Very high | 63 Ų | 63 | 93 Ų | 93 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.3 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | V379 Q381 I386 K387 | V379-T383 WeakPolarHBondContact O-CB 3.28Å; V379-T383 PolarHBondContact O-N 3.25Å; V379-T383 PolarHBondContact O-OG1 2.98Å; Q381-T383 VanDerWaalsContact C-N 3.34Å; Q381-T383 PolarHBondContact O-N 3.38Å; T383-I386 PolarHBondContact O-N 3.4Å; T383-K387 WeakPolarHBondContact O-CG 3.39Å; T383-K387 PolarHBondContact O-N 2.99Å; T383-K387 VanDerWaalsContact O-N 3.13Å |
| 384 | E | 98.2 | Very high | 98 | Very high | 82 Ų | 82 | 91.6 Ų | 91.6 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 179.6 | -166.9 | 57.5 | -148.4 | 0 | 0 | 111.8 | N380 Q381 D382 I386 K387 Q388 | N380-E384 WeakPolarHBondContact O-CB 3.43Å; N380-E384 PolarHBondContact O-N 3.09Å; Q381-E384 PolarHBondContact O-N 3.17Å; D382-E384 PolarHBondContact O-N 3.28Å; E384-I386 PolarHBondContact O-N 3.48Å; E384-K387 PolarHBondContact O-N 3.02Å; E384-K387 WeakPolarHBondContact OE2-CD 3.17Å; E384-K387 IonicContact OE2-NZ 2.65Å; E384-K387 PolarHBondContact OE2-NZ 2.85Å; E384-Q388 WeakPolarHBondContact O-CG 3.22Å; E384-Q388 PolarHBondContact O-N 3.46Å; E384-Q388 VanDerWaalsContact O-N 3.09Å |
| 385 | G | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 92 Ų | 92 | 38% | 0.381 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q381 D382 K387 Q388 E389 | Q381-G385 PolarHBondContact O-N 2.85Å; D382-G385 PolarHBondContact O-N 3.47Å; G385-K387 VanDerWaalsContact C-N 3.35Å; G385-K387 PolarHBondContact O-N 3.09Å; G385-Q388 PolarHBondContact O-N 3.17Å; G385-E389 PolarHBondContact O-N 3.36Å |
| 386 | I | 98.2 | Very high | 98 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 60% | 0.595 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 176.8 | -70 | 164.7 | 0 | 0 | 0 | 111.6 | D382 T383 E384 Y390 | D382-I386 WeakPolarHBondContact O-CD1 3.49Å; D382-I386 VanDerWaalsContact O-CG1 3.28Å; D382-I386 WeakPolarHBondContact O-CG1 3.48Å; D382-I386 PolarHBondContact O-N 3.23Å; T383-I386 PolarHBondContact O-N 3.4Å; E384-I386 PolarHBondContact O-N 3.48Å; I386-Y390 WeakPolarHBondContact O-CB 3.35Å; I386-Y390 PolarHBondContact O-N 2.8Å |
| 387 | K | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 50% | 0.496 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 174 | -68.9 | 175.9 | -155.1 | 156.8 | 0 | 111.8 | T383 E384 G385 E389 Y390 E391 | T383-K387 WeakPolarHBondContact O-CG 3.39Å; T383-K387 PolarHBondContact O-N 2.99Å; T383-K387 VanDerWaalsContact O-N 3.13Å; E384-K387 PolarHBondContact O-N 3.02Å; E384-K387 WeakPolarHBondContact OE2-CD 3.17Å; E384-K387 IonicContact OE2-NZ 2.65Å; E384-K387 PolarHBondContact OE2-NZ 2.85Å; G385-K387 VanDerWaalsContact C-N 3.35Å; G385-K387 PolarHBondContact O-N 3.09Å; K387-E389 VanDerWaalsContact C-N 3.34Å; K387-E389 PolarHBondContact O-N 3.21Å; K387-Y390 WeakPolarHBondContact O-CB 3.37Å; K387-Y390 PolarHBondContact O-N 2.98Å; K387-E391 WeakPolarHBondContact O-CB 3.4Å; K387-E391 PolarHBondContact O-N 3.03Å |
| 388 | Q | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 96.7 Ų | 96.7 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | -178.3 | -68.6 | 173.4 | 17.7 | 0 | 0 | 111.6 | E384 G385 T392 | E384-Q388 WeakPolarHBondContact O-CG 3.22Å; E384-Q388 PolarHBondContact O-N 3.46Å; E384-Q388 VanDerWaalsContact O-N 3.09Å; G385-Q388 PolarHBondContact O-N 3.17Å; Q388-T392 WeakPolarHBondContact O-CB 3.37Å; Q388-T392 PolarHBondContact O-N 3.33Å; Q388-T392 PolarHBondContact O-OG1 3.11Å |
| 389 | E | 98.1 | Very high | 97.9 | Very high | 127 Ų | 127 | 94.9 Ų | 94.9 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -41.2 | 171.9 | -155.1 | -151.2 | 137.3 | 0 | 0 | 111.6 | G385 K387 T392 N393 | G385-E389 PolarHBondContact O-N 3.36Å; K387-E389 VanDerWaalsContact C-N 3.34Å; K387-E389 PolarHBondContact O-N 3.21Å; E389-T392 PolarHBondContact O-N 2.93Å; E389-N393 WeakPolarHBondContact O-CB 3.01Å; E389-N393 PolarHBondContact O-N 2.9Å; E389-N393 PolarHBondContact O-ND2 3.22Å; E389-N393 PolarHBondContact OE1-ND2 3.37Å; E389-N393 VanDerWaalsContact OE1-ND2 3.17Å |
| 390 | Y | 98 | Very high | 97.9 | Very high | 163 Ų | 163 | 94.8 Ų | 94.8 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.6 | -44.6 | 177.3 | -174.6 | -94.3 | 0 | 0 | 0 | 112.2 | I386 K387 N393 L394 | I386-Y390 WeakPolarHBondContact O-CB 3.35Å; I386-Y390 PolarHBondContact O-N 2.8Å; K387-Y390 WeakPolarHBondContact O-CB 3.37Å; K387-Y390 PolarHBondContact O-N 2.98Å; Y390-N393 PolarHBondContact O-N 3.23Å; Y390-L394 HydrophobicContact CE1-CD2 4.44Å; Y390-L394 VanDerWaalsContact O-CB 3.26Å; Y390-L394 WeakPolarHBondContact O-CB 3.26Å; Y390-L394 PolarHBondContact O-N 3.22Å |
| 391 | E | 98.2 | Very high | 97.9 | Very high | 129 Ų | 129 | 95.2 Ų | 95.2 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 176.4 | -176.2 | 173.2 | -162.2 | 0 | 0 | 112 | K387 L394 T395 | K387-E391 WeakPolarHBondContact O-CB 3.4Å; K387-E391 PolarHBondContact O-N 3.03Å; E391-L394 PolarHBondContact O-N 2.91Å; E391-T395 WeakPolarHBondContact O-CB 3.41Å; E391-T395 PolarHBondContact O-N 2.81Å; E391-T395 PolarHBondContact O-OG1 2.98Å |
| 392 | T | 97.8 | Very high | 97.9 | Very high | 95 Ų | 95 | 97.5 Ų | 97.5 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 174.2 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | Q388 E389 T395 R396 | Q388-T392 WeakPolarHBondContact O-CB 3.37Å; Q388-T392 PolarHBondContact O-N 3.33Å; Q388-T392 PolarHBondContact O-OG1 3.11Å; E389-T392 PolarHBondContact O-N 2.93Å; T392-T395 PolarHBondContact O-N 2.92Å; T392-R396 WeakPolarHBondContact O-CB 3.42Å; T392-R396 PolarHBondContact O-N 3.02Å |
| 393 | N | 97.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 99 Ų | 99 | 23% | 0.225 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.8 | -83.3 | -58.4 | 0 | 0 | 0 | 112.7 | E389 Y390 R396 L397 | E389-N393 WeakPolarHBondContact O-CB 3.01Å; E389-N393 PolarHBondContact O-N 2.9Å; E389-N393 PolarHBondContact O-ND2 3.22Å; E389-N393 PolarHBondContact OE1-ND2 3.37Å; E389-N393 VanDerWaalsContact OE1-ND2 3.17Å; Y390-N393 PolarHBondContact O-N 3.23Å; N393-R396 PolarHBondContact O-N 3.23Å; N393-R396 PolarHBondContact OD1-NE 2.81Å; N393-R396 PolarHBondContact OD1-NH2 3.48Å; N393-L397 WeakPolarHBondContact O-CB 3.22Å; N393-L397 VanDerWaalsContact O-CG 3.31Å; N393-L397 WeakPolarHBondContact O-CG 3.19Å; N393-L397 PolarHBondContact O-N 2.89Å |
| 394 | L | 97.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 98.9 Ų | 98.9 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.6 | 179.8 | 62.5 | 0 | 0 | 0 | 110.8 | Y390 E391 R396 L397 Q398 | Y390-L394 HydrophobicContact CE1-CD2 4.44Å; Y390-L394 VanDerWaalsContact O-CB 3.26Å; Y390-L394 WeakPolarHBondContact O-CB 3.26Å; Y390-L394 PolarHBondContact O-N 3.22Å; E391-L394 PolarHBondContact O-N 2.91Å; L394-R396 PolarHBondContact O-N 2.96Å; L394-L397 PolarHBondContact O-N 3.07Å; L394-Q398 HydrophobicContact CD1-CG 4.43Å; L394-Q398 WeakPolarHBondContact O-CB 3.34Å; L394-Q398 WeakPolarHBondContact O-CG 3.27Å; L394-Q398 PolarHBondContact O-N 3.34Å |
| 395 | T | 97.7 | Very high | 97.7 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | E391 T392 L397 Q398 A399 | E391-T395 WeakPolarHBondContact O-CB 3.41Å; E391-T395 PolarHBondContact O-N 2.81Å; E391-T395 PolarHBondContact O-OG1 2.98Å; T392-T395 PolarHBondContact O-N 2.92Å; T395-L397 PolarHBondContact O-N 3.14Å; T395-Q398 PolarHBondContact O-N 3.34Å; T395-A399 PolarHBondContact O-N 3.17Å |
| 396 | R | 98 | Very high | 97.7 | Very high | 160 Ų | 160 | 102.8 Ų | 102.8 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 175.3 | -177.7 | 174.3 | 67.4 | 98 | -4.7 | 112.5 | T392 N393 L394 S400 | T392-R396 WeakPolarHBondContact O-CB 3.42Å; T392-R396 PolarHBondContact O-N 3.02Å; N393-R396 PolarHBondContact O-N 3.23Å; N393-R396 PolarHBondContact OD1-NE 2.81Å; N393-R396 PolarHBondContact OD1-NH2 3.48Å; L394-R396 PolarHBondContact O-N 2.96Å; R396-S400 PolarHBondContact O-N 3.26Å; R396-S400 VanDerWaalsContact O-N 3.1Å |
| 397 | L | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.9 | -41 | 177.7 | -73 | 169.9 | 0 | 0 | 0 | 112.3 | N393 L394 T395 A399 S400 L401 | N393-L397 WeakPolarHBondContact O-CB 3.22Å; N393-L397 VanDerWaalsContact O-CG 3.31Å; N393-L397 WeakPolarHBondContact O-CG 3.19Å; N393-L397 PolarHBondContact O-N 2.89Å; L394-L397 PolarHBondContact O-N 3.07Å; T395-L397 PolarHBondContact O-N 3.14Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-A399 PolarHBondContact O-N 2.97Å; L397-S400 PolarHBondContact O-N 3.41Å; L397-L401 WeakPolarHBondContact O-CB 3.46Å; L397-L401 PolarHBondContact O-N 3.4Å |
| 398 | Q | 98.1 | Very high | 97.6 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 174.7 | -73.3 | 178.2 | 10.4 | 0 | 0 | 112.2 | L394 T395 L401 R402 | L394-Q398 HydrophobicContact CD1-CG 4.43Å; L394-Q398 WeakPolarHBondContact O-CB 3.34Å; L394-Q398 WeakPolarHBondContact O-CG 3.27Å; L394-Q398 PolarHBondContact O-N 3.34Å; T395-Q398 PolarHBondContact O-N 3.34Å; Q398-L401 PolarHBondContact O-N 3.38Å; Q398-R402 WeakPolarHBondContact O-CG 3.34Å; Q398-R402 PolarHBondContact O-N 2.9Å |
| 399 | A | 97.6 | Very high | 97.5 | Very high | 50 Ų | 50 | 100.6 Ų | 100.6 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T395 L397 L401 R402 I403 | T395-A399 PolarHBondContact O-N 3.17Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-A399 PolarHBondContact O-N 2.97Å; A399-L401 PolarHBondContact O-N 2.96Å; A399-R402 PolarHBondContact O-N 3.11Å; A399-I403 WeakPolarHBondContact O-CG1 3.4Å; A399-I403 PolarHBondContact O-N 3.26Å; A399-I403 VanDerWaalsContact O-N 3.08Å |
| 400 | S | 97.2 | Very high | 97.4 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 176 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | R396 L397 I403 S404 | R396-S400 PolarHBondContact O-N 3.26Å; R396-S400 VanDerWaalsContact O-N 3.1Å; L397-S400 PolarHBondContact O-N 3.41Å; S400-I403 PolarHBondContact O-N 2.89Å; S400-S404 PolarHBondContact O-N 3.26Å |
| 401 | L | 97.5 | Very high | 97.4 | Very high | 100 Ų | 100 | 95.8 Ų | 95.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -50 | 176.2 | 178.1 | 61.4 | 0 | 0 | 0 | 111.5 | L397 Q398 A399 I403 S404 E405 | L397-L401 WeakPolarHBondContact O-CB 3.46Å; L397-L401 PolarHBondContact O-N 3.4Å; Q398-L401 PolarHBondContact O-N 3.38Å; A399-L401 PolarHBondContact O-N 2.96Å; L401-I403 VanDerWaalsContact C-N 3.3Å; L401-I403 PolarHBondContact O-N 3.37Å; L401-S404 WeakPolarHBondContact O-CB 3.47Å; L401-S404 PolarHBondContact O-N 3.2Å; L401-S404 VanDerWaalsContact O-N 3.11Å; L401-E405 HydrophobicContact CD1-CG 4.36Å; L401-E405 HydrophobicContact CG-CG 4.49Å; L401-E405 WeakPolarHBondContact O-CG 3.22Å; L401-E405 PolarHBondContact O-N 2.96Å |
| 402 | R | 97.8 | Very high | 97.3 | Very high | 168 Ų | 168 | 94.5 Ų | 94.5 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -37.2 | 177.6 | -73.9 | 179 | 179.9 | 176 | 2.8 | 112.8 | Q398 A399 L406 | Q398-R402 WeakPolarHBondContact O-CG 3.34Å; Q398-R402 PolarHBondContact O-N 2.9Å; A399-R402 PolarHBondContact O-N 3.11Å; R402-L406 WeakPolarHBondContact O-CB 3.22Å; R402-L406 VanDerWaalsContact O-CG 3.27Å; R402-L406 WeakPolarHBondContact O-CG 3.29Å; R402-L406 PolarHBondContact O-N 3.5Å |
| 403 | I | 97.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 93.2 Ų | 93.2 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 175 | -68.7 | 164.4 | 0 | 0 | 0 | 110.3 | A399 S400 L401 L406 Q407 | A399-I403 WeakPolarHBondContact O-CG1 3.4Å; A399-I403 PolarHBondContact O-N 3.26Å; A399-I403 VanDerWaalsContact O-N 3.08Å; S400-I403 PolarHBondContact O-N 2.89Å; L401-I403 VanDerWaalsContact C-N 3.3Å; L401-I403 PolarHBondContact O-N 3.37Å; I403-L406 PolarHBondContact O-N 3.45Å; I403-Q407 WeakPolarHBondContact O-CG 3.41Å; I403-Q407 PolarHBondContact O-N 2.97Å |
| 404 | S | 95.2 | Very high | 97.1 | Very high | 61 Ų | 61 | 95.8 Ų | 95.8 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.8 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | S400 L401 L406 Q407 V408 | S400-S404 PolarHBondContact O-N 3.26Å; L401-S404 WeakPolarHBondContact O-CB 3.47Å; L401-S404 PolarHBondContact O-N 3.2Å; L401-S404 VanDerWaalsContact O-N 3.11Å; S404-L406 VanDerWaalsContact C-N 3.32Å; S404-L406 PolarHBondContact O-N 3.34Å; S404-Q407 WeakPolarHBondContact O-CB 3.25Å; S404-Q407 PolarHBondContact O-N 2.7Å; S404-Q407 VanDerWaalsContact O-N 3.12Å; S404-V408 WeakPolarHBondContact O-CG2 3.25Å; S404-V408 PolarHBondContact O-N 2.69Å |
| 405 | E | 97.6 | Very high | 97.1 | Very high | 83 Ų | 83 | 97.8 Ų | 97.8 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 175.3 | -72.5 | 178.2 | -170 | 0 | 0 | 112.9 | L401 V408 K409 | L401-E405 HydrophobicContact CD1-CG 4.36Å; L401-E405 HydrophobicContact CG-CG 4.49Å; L401-E405 WeakPolarHBondContact O-CG 3.22Å; L401-E405 PolarHBondContact O-N 2.96Å; E405-V408 PolarHBondContact O-N 3.28Å; E405-K409 WeakPolarHBondContact O-CB 3.49Å; E405-K409 WeakPolarHBondContact O-CD 3.38Å; E405-K409 VanDerWaalsContact O-CG 3.28Å; E405-K409 WeakPolarHBondContact O-CG 3.4Å; E405-K409 PolarHBondContact O-N 3.44Å; E405-K409 IonicContact OE2-NZ 3.12Å |
| 406 | L | 97.5 | Very high | 97 | Very high | 118 Ų | 118 | 99.8 Ų | 99.8 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.2 | -35.1 | 176.4 | -73.8 | 169.5 | 0 | 0 | 0 | 112 | R402 I403 S404 S410 | R402-L406 WeakPolarHBondContact O-CB 3.22Å; R402-L406 VanDerWaalsContact O-CG 3.27Å; R402-L406 WeakPolarHBondContact O-CG 3.29Å; R402-L406 PolarHBondContact O-N 3.5Å; I403-L406 PolarHBondContact O-N 3.45Å; S404-L406 VanDerWaalsContact C-N 3.32Å; S404-L406 PolarHBondContact O-N 3.34Å; L406-S410 VanDerWaalsContact O-CB 3.26Å; L406-S410 WeakPolarHBondContact O-CB 3.34Å; L406-S410 PolarHBondContact O-N 2.7Å |
| 407 | Q | 97.6 | Very high | 96.9 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 172.2 | -72.4 | 174.2 | 1 | 0 | 0 | 111.2 | I403 S404 S410 F411 | I403-Q407 WeakPolarHBondContact O-CG 3.41Å; I403-Q407 PolarHBondContact O-N 2.97Å; S404-Q407 WeakPolarHBondContact O-CB 3.25Å; S404-Q407 PolarHBondContact O-N 2.7Å; S404-Q407 VanDerWaalsContact O-N 3.12Å; Q407-S410 WeakPolarHBondContact O-CB 3.49Å; Q407-S410 PolarHBondContact O-N 2.94Å; Q407-F411 HydrophobicContact CB-CD2 4.49Å; Q407-F411 HydrophobicContact CB-CE2 4.15Å; Q407-F411 WeakPolarHBondContact O-CD2 3.17Å; Q407-F411 WeakPolarHBondContact O-CG 3.33Å; Q407-F411 PolarHBondContact O-N 3.03Å |
| 408 | V | 96.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.3 | -53 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.7 | S404 E405 S410 F411 E412 | S404-V408 WeakPolarHBondContact O-CG2 3.25Å; S404-V408 PolarHBondContact O-N 2.69Å; E405-V408 PolarHBondContact O-N 3.28Å; V408-S410 PolarHBondContact O-N 3.5Å; V408-F411 CarbonylContact O-C 3.59Å; V408-F411 PolarHBondContact O-N 2.86Å; V408-E412 HydrophobicContact CG1-CG 4.22Å; V408-E412 WeakPolarHBondContact O-CG 3.36Å; V408-E412 PolarHBondContact O-N 3.33Å |
| 409 | K | 96.8 | Very high | 96.6 | Very high | 115 Ų | 115 | 95.8 Ų | 95.8 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | 177.9 | -70.6 | 162.3 | -174.9 | 162 | 0 | 112.8 | E405 S413 | E405-K409 WeakPolarHBondContact O-CB 3.49Å; E405-K409 WeakPolarHBondContact O-CD 3.38Å; E405-K409 VanDerWaalsContact O-CG 3.28Å; E405-K409 WeakPolarHBondContact O-CG 3.4Å; E405-K409 PolarHBondContact O-N 3.44Å; E405-K409 IonicContact OE2-NZ 3.12Å; K409-S413 WeakPolarHBondContact O-CB 3.47Å; K409-S413 PolarHBondContact O-N 2.93Å |
| 410 | S | 96.1 | Very high | 96.5 | Very high | 60 Ų | 60 | 99.9 Ų | 99.9 | 42% | 0.42 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -42.3 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | L406 Q407 V408 Q414 | L406-S410 VanDerWaalsContact O-CB 3.26Å; L406-S410 WeakPolarHBondContact O-CB 3.34Å; L406-S410 PolarHBondContact O-N 2.7Å; Q407-S410 WeakPolarHBondContact O-CB 3.49Å; Q407-S410 PolarHBondContact O-N 2.94Å; V408-S410 PolarHBondContact O-N 3.5Å; S410-Q414 WeakPolarHBondContact O-CB 3.5Å; S410-Q414 VanDerWaalsContact O-CG 3.29Å; S410-Q414 WeakPolarHBondContact O-CG 3.5Å; S410-Q414 PolarHBondContact O-N 3.49Å; S410-Q414 PolarHBondContact O-NE2 2.9Å; S410-Q414 PolarHBondContact OG-NE2 3.4Å; S410-Q414 VanDerWaalsContact OG-NE2 3.13Å |
| 411 | F | 96.6 | Very high | 96.4 | Very high | 130 Ų | 130 | 99.2 Ų | 99.2 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.1 | -38.2 | 175.9 | -66.6 | -49.8 | 0 | 0 | 0 | 112.4 | Q407 V408 Q414 L415 | Q407-F411 HydrophobicContact CB-CD2 4.49Å; Q407-F411 HydrophobicContact CB-CE2 4.15Å; Q407-F411 WeakPolarHBondContact O-CD2 3.17Å; Q407-F411 WeakPolarHBondContact O-CG 3.33Å; Q407-F411 PolarHBondContact O-N 3.03Å; V408-F411 CarbonylContact O-C 3.59Å; V408-F411 PolarHBondContact O-N 2.86Å; F411-Q414 PolarHBondContact O-N 3.33Å; F411-L415 WeakPolarHBondContact O-CB 3.26Å; F411-L415 PolarHBondContact O-N 2.9Å |
| 412 | E | 96.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 172.9 | -71.9 | 173.4 | 149.9 | 0 | 0 | 111.3 | V408 L415 Q416 | V408-E412 HydrophobicContact CG1-CG 4.22Å; V408-E412 WeakPolarHBondContact O-CG 3.36Å; V408-E412 PolarHBondContact O-N 3.33Å; E412-L415 PolarHBondContact O-N 3.26Å; E412-Q416 WeakPolarHBondContact O-CB 3.48Å; E412-Q416 VanDerWaalsContact O-CG 3.31Å; E412-Q416 WeakPolarHBondContact O-CG 3.28Å; E412-Q416 PolarHBondContact O-N 3Å |
| 413 | S | 96.1 | Very high | 96 | Very high | 68 Ų | 68 | 95.5 Ų | 95.5 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | K409 L415 Q416 Q417 | K409-S413 WeakPolarHBondContact O-CB 3.47Å; K409-S413 PolarHBondContact O-N 2.93Å; S413-L415 VanDerWaalsContact C-N 3.34Å; S413-L415 PolarHBondContact O-N 3.37Å; S413-Q416 PolarHBondContact O-N 3.28Å; S413-Q417 WeakPolarHBondContact O-CB 3.48Å; S413-Q417 PolarHBondContact O-N 2.92Å |
| 414 | Q | 96 | Very high | 95.8 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 174.1 | -75.4 | 170.3 | 78.8 | 0 | 0 | 112.4 | S410 F411 Q417 K418 | S410-Q414 WeakPolarHBondContact O-CB 3.5Å; S410-Q414 VanDerWaalsContact O-CG 3.29Å; S410-Q414 WeakPolarHBondContact O-CG 3.5Å; S410-Q414 PolarHBondContact O-N 3.49Å; S410-Q414 PolarHBondContact O-NE2 2.9Å; S410-Q414 PolarHBondContact OG-NE2 3.4Å; S410-Q414 VanDerWaalsContact OG-NE2 3.13Å; F411-Q414 PolarHBondContact O-N 3.33Å; Q414-Q417 PolarHBondContact O-N 3.26Å; Q414-K418 WeakPolarHBondContact O-CB 3.42Å; Q414-K418 WeakPolarHBondContact O-CG 3.45Å; Q414-K418 PolarHBondContact O-N 2.95Å |
| 415 | L | 96.1 | Very high | 95.7 | Very high | 113 Ų | 113 | 98.1 Ų | 98.1 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.9 | -44 | 177.2 | -174 | 148.6 | 0 | 0 | 0 | 110.9 | F411 E412 S413 Q417 K418 T419 | F411-L415 WeakPolarHBondContact O-CB 3.26Å; F411-L415 PolarHBondContact O-N 2.9Å; E412-L415 PolarHBondContact O-N 3.26Å; S413-L415 VanDerWaalsContact C-N 3.34Å; S413-L415 PolarHBondContact O-N 3.37Å; L415-Q417 VanDerWaalsContact C-N 3.28Å; L415-Q417 PolarHBondContact O-N 3.26Å; L415-K418 PolarHBondContact O-N 2.87Å; L415-K418 VanDerWaalsContact O-N 3.16Å; L415-T419 WeakPolarHBondContact O-CB 3.49Å; L415-T419 PolarHBondContact O-N 3.04Å; L415-T419 PolarHBondContact O-OG1 2.9Å; L415-T419 VanDerWaalsContact O-OG1 3.06Å |
| 416 | Q | 96.2 | Very high | 95.4 | Very high | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -32 | 173.1 | -72.7 | 176.7 | 13.1 | 0 | 0 | 113 | E412 S413 R420 | E412-Q416 WeakPolarHBondContact O-CB 3.48Å; E412-Q416 VanDerWaalsContact O-CG 3.31Å; E412-Q416 WeakPolarHBondContact O-CG 3.28Å; E412-Q416 PolarHBondContact O-N 3Å; S413-Q416 PolarHBondContact O-N 3.28Å; Q416-R420 WeakPolarHBondContact O-CG 3.21Å; Q416-R420 PolarHBondContact O-N 3.03Å; Q416-R420 PolarHBondContact O-NE 2.88Å; Q416-R420 VanDerWaalsContact O-NE 3.08Å |
| 417 | Q | 95.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 97.4 Ų | 97.4 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.1 | -50.3 | 169.4 | 177.9 | 176.7 | -15.8 | 0 | 0 | 110.7 | S413 Q414 L415 T419 R420 E421 | S413-Q417 WeakPolarHBondContact O-CB 3.48Å; S413-Q417 PolarHBondContact O-N 2.92Å; Q414-Q417 PolarHBondContact O-N 3.26Å; L415-Q417 VanDerWaalsContact C-N 3.28Å; L415-Q417 PolarHBondContact O-N 3.26Å; Q417-T419 VanDerWaalsContact C-N 3.34Å; Q417-T419 PolarHBondContact O-N 2.93Å; Q417-R420 PolarHBondContact O-N 3.19Å; Q417-R420 VanDerWaalsContact O-N 3.17Å; Q417-E421 HydrophobicContact CG-CG 4.36Å; Q417-E421 VanDerWaalsContact CG-OE1 3.29Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.39Å; Q417-E421 PolarHBondContact NE2-OE1 2.84Å; Q417-E421 WeakPolarHBondContact O-CG 3.4Å; Q417-E421 PolarHBondContact O-N 3.3Å |
| 418 | K | 95.5 | Very high | 94.7 | Very high | 118 Ų | 118 | 96.9 Ų | 96.9 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -33.3 | -179 | -72.8 | -72.2 | 162.7 | -158.8 | 0 | 113.6 | Q414 L415 E421 N422 | Q414-K418 WeakPolarHBondContact O-CB 3.42Å; Q414-K418 WeakPolarHBondContact O-CG 3.45Å; Q414-K418 PolarHBondContact O-N 2.95Å; L415-K418 PolarHBondContact O-N 2.87Å; L415-K418 VanDerWaalsContact O-N 3.16Å; K418-E421 WeakPolarHBondContact CD-OE2 3.35Å; K418-E421 WeakPolarHBondContact CE-OE2 3.17Å; K418-E421 IonicContact NZ-OE1 3.2Å; K418-E421 IonicContact NZ-OE2 3.23Å; K418-E421 PolarHBondContact NZ-OE2 3.43Å; K418-N422 WeakPolarHBondContact O-CB 3.25Å; K418-N422 VanDerWaalsContact O-CG 3.25Å; K418-N422 PolarHBondContact O-N 2.92Å; K418-N422 PolarHBondContact O-ND2 2.88Å |
| 419 | T | 95.6 | Very high | 94.3 | Very high | 64 Ų | 64 | 96.8 Ų | 96.8 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 171.7 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | L415 Q417 N422 E423 | L415-T419 WeakPolarHBondContact O-CB 3.49Å; L415-T419 PolarHBondContact O-N 3.04Å; L415-T419 PolarHBondContact O-OG1 2.9Å; L415-T419 VanDerWaalsContact O-OG1 3.06Å; Q417-T419 VanDerWaalsContact C-N 3.34Å; Q417-T419 PolarHBondContact O-N 2.93Å; T419-N422 PolarHBondContact O-N 3.48Å; T419-E423 WeakPolarHBondContact O-CG 3.26Å; T419-E423 PolarHBondContact O-N 3.35Å |
| 420 | R | 94.9 | Very high | 93.9 | Very high | 136 Ų | 136 | 95.7 Ų | 95.7 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 176.3 | -74.4 | 179.8 | -68.1 | 143.4 | -4.5 | 112.8 | Q416 Q417 N422 E423 E424 | Q416-R420 WeakPolarHBondContact O-CG 3.21Å; Q416-R420 PolarHBondContact O-N 3.03Å; Q416-R420 PolarHBondContact O-NE 2.88Å; Q416-R420 VanDerWaalsContact O-NE 3.08Å; Q417-R420 PolarHBondContact O-N 3.19Å; Q417-R420 VanDerWaalsContact O-N 3.17Å; R420-N422 VanDerWaalsContact C-N 3.3Å; R420-N422 PolarHBondContact O-N 3.46Å; R420-E423 PolarHBondContact O-N 3.23Å; R420-E424 WeakPolarHBondContact O-CB 3.28Å; R420-E424 WeakPolarHBondContact O-CG 3.47Å; R420-E424 PolarHBondContact O-N 3.27Å |
| 421 | E | 94.2 | Very high | 93.4 | Very high | 60 Ų | 60 | 98 Ų | 98 | 28% | 0.28 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 174 | -71.9 | 174.9 | -169.6 | 0 | 0 | 111.5 | Q417 K418 E424 L425 | Q417-E421 HydrophobicContact CG-CG 4.36Å; Q417-E421 VanDerWaalsContact CG-OE1 3.29Å; Q417-E421 WeakPolarHBondContact CG-OE1 3.39Å; Q417-E421 PolarHBondContact NE2-OE1 2.84Å; Q417-E421 WeakPolarHBondContact O-CG 3.4Å; Q417-E421 PolarHBondContact O-N 3.3Å; K418-E421 WeakPolarHBondContact CD-OE2 3.35Å; K418-E421 WeakPolarHBondContact CE-OE2 3.17Å; K418-E421 IonicContact NZ-OE1 3.2Å; K418-E421 IonicContact NZ-OE2 3.23Å; K418-E421 PolarHBondContact NZ-OE2 3.43Å; E421-E424 PolarHBondContact O-N 2.99Å; E421-L425 WeakPolarHBondContact O-CB 3.41Å; E421-L425 VanDerWaalsContact O-CG 3.23Å; E421-L425 WeakPolarHBondContact O-CG 3.39Å; E421-L425 PolarHBondContact O-N 3.28Å |
| 422 | N | 94.1 | Very high | 92.9 | Very high | 97 Ų | 97 | 96 Ų | 96 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 174.2 | -76.8 | -21.7 | 0 | 0 | 0 | 112.3 | K418 T419 R420 E424 L425 T426 | K418-N422 WeakPolarHBondContact O-CB 3.25Å; K418-N422 VanDerWaalsContact O-CG 3.25Å; K418-N422 PolarHBondContact O-N 2.92Å; K418-N422 PolarHBondContact O-ND2 2.88Å; T419-N422 PolarHBondContact O-N 3.48Å; R420-N422 VanDerWaalsContact C-N 3.3Å; R420-N422 PolarHBondContact O-N 3.46Å; N422-E424 VanDerWaalsContact C-N 3.33Å; N422-E424 PolarHBondContact O-N 3.33Å; N422-L425 PolarHBondContact O-N 3.39Å; N422-T426 WeakPolarHBondContact O-CB 3.16Å; N422-T426 PolarHBondContact O-N 2.83Å; N422-T426 PolarHBondContact O-OG1 2.84Å |
| 423 | E | 93.5 | Very high | 92.1 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175 | -76.9 | -179.9 | -146.5 | 0 | 0 | 112.5 | T419 R420 K427 | T419-E423 WeakPolarHBondContact O-CG 3.26Å; T419-E423 PolarHBondContact O-N 3.35Å; R420-E423 PolarHBondContact O-N 3.23Å; E423-K427 WeakPolarHBondContact O-CB 3.43Å; E423-K427 VanDerWaalsContact O-CD 3.27Å; E423-K427 WeakPolarHBondContact O-CD 3.48Å; E423-K427 WeakPolarHBondContact O-CG 3.29Å; E423-K427 PolarHBondContact O-N 3.11Å; E423-K427 IonicContact OE2-NZ 2.96Å; E423-K427 PolarHBondContact OE2-NZ 3.38Å; E423-K427 VanDerWaalsContact OE2-NZ 3.12Å |
| 424 | E | 92.9 | Very high | 91.4 | Very high | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.4 | -74 | 171 | -162.7 | 0 | 0 | 111 | R420 E421 N422 K427 I428 | R420-E424 WeakPolarHBondContact O-CB 3.28Å; R420-E424 WeakPolarHBondContact O-CG 3.47Å; R420-E424 PolarHBondContact O-N 3.27Å; E421-E424 PolarHBondContact O-N 2.99Å; N422-E424 VanDerWaalsContact C-N 3.33Å; N422-E424 PolarHBondContact O-N 3.33Å; E424-K427 PolarHBondContact O-N 3.04Å; E424-I428 WeakPolarHBondContact O-CD1 3.31Å; E424-I428 VanDerWaalsContact O-CG1 3.26Å; E424-I428 WeakPolarHBondContact O-CG1 3.16Å; E424-I428 PolarHBondContact O-N 3.44Å |
| 425 | L | 93.3 | Very high | 90.5 | Very high | 102 Ų | 102 | 99.7 Ų | 99.7 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 172.7 | -73.6 | 168.6 | 0 | 0 | 0 | 112.3 | E421 N422 I428 C429 | E421-L425 WeakPolarHBondContact O-CB 3.41Å; E421-L425 VanDerWaalsContact O-CG 3.23Å; E421-L425 WeakPolarHBondContact O-CG 3.39Å; E421-L425 PolarHBondContact O-N 3.28Å; N422-L425 PolarHBondContact O-N 3.39Å; L425-I428 PolarHBondContact O-N 2.78Å; L425-C429 WeakPolarHBondContact O-CB 3.44Å; L425-C429 PolarHBondContact O-N 3.05Å; L425-C429 PolarHBondContact O-SG 2.86Å |
| 426 | T | 90.9 | Very high | 89 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 174 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | N422 I428 C429 D430 | N422-T426 WeakPolarHBondContact O-CB 3.16Å; N422-T426 PolarHBondContact O-N 2.83Å; N422-T426 PolarHBondContact O-OG1 2.84Å; T426-I428 VanDerWaalsContact C-N 3.31Å; T426-I428 PolarHBondContact O-N 3.39Å; T426-C429 CarbonylContact O-C 3.59Å; T426-C429 WeakPolarHBondContact O-CB 3.32Å; T426-C429 PolarHBondContact O-N 3.38Å; T426-C429 VanDerWaalsContact O-N 3.13Å; T426-D430 WeakPolarHBondContact CG2-OD2 3.28Å; T426-D430 WeakPolarHBondContact O-CB 3.16Å; T426-D430 VanDerWaalsContact O-CG 3.3Å; T426-D430 PolarHBondContact O-N 3.17Å |
| 427 | K | 91.4 | Very high | 87.3 | Confident | 108 Ų | 108 | 99 Ų | 99 | 47% | 0.47 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 175.3 | -71 | 156.9 | -164.3 | 157.2 | 0 | 112 | E423 E424 D430 E431 | E423-K427 WeakPolarHBondContact O-CB 3.43Å; E423-K427 VanDerWaalsContact O-CD 3.27Å; E423-K427 WeakPolarHBondContact O-CD 3.48Å; E423-K427 WeakPolarHBondContact O-CG 3.29Å; E423-K427 PolarHBondContact O-N 3.11Å; E423-K427 IonicContact OE2-NZ 2.96Å; E423-K427 PolarHBondContact OE2-NZ 3.38Å; E423-K427 VanDerWaalsContact OE2-NZ 3.12Å; E424-K427 PolarHBondContact O-N 3.04Å; K427-D430 PolarHBondContact O-N 2.79Å; K427-E431 WeakPolarHBondContact O-CB 3.35Å; K427-E431 WeakPolarHBondContact O-CG 3.32Å; K427-E431 PolarHBondContact O-N 2.79Å |
| 428 | I | 88.8 | Confident | 85.3 | Confident | 92 Ų | 92 | 97.8 Ų | 97.8 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 175.8 | -67.8 | 163.1 | 0 | 0 | 0 | 111.2 | E424 L425 T426 E431 L432 | E424-I428 WeakPolarHBondContact O-CD1 3.31Å; E424-I428 VanDerWaalsContact O-CG1 3.26Å; E424-I428 WeakPolarHBondContact O-CG1 3.16Å; E424-I428 PolarHBondContact O-N 3.44Å; L425-I428 PolarHBondContact O-N 2.78Å; T426-I428 VanDerWaalsContact C-N 3.31Å; T426-I428 PolarHBondContact O-N 3.39Å; I428-E431 PolarHBondContact O-N 3.47Å; I428-L432 HydrophobicContact CG2-CD1 4.03Å; I428-L432 WeakPolarHBondContact O-CB 3.5Å; I428-L432 VanDerWaalsContact O-CG 3.24Å; I428-L432 WeakPolarHBondContact O-CG 3.43Å; I428-L432 PolarHBondContact O-N 2.8Å |
| 429 | C | 88.7 | Confident | 83 | Confident | 69 Ų | 69 | 98.5 Ų | 98.5 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.5 | -74 | 0 | 0 | 0 | 0 | 112.3 | L425 T426 L432 L433 | L425-C429 WeakPolarHBondContact O-CB 3.44Å; L425-C429 PolarHBondContact O-N 3.05Å; L425-C429 PolarHBondContact O-SG 2.86Å; T426-C429 CarbonylContact O-C 3.59Å; T426-C429 WeakPolarHBondContact O-CB 3.32Å; T426-C429 PolarHBondContact O-N 3.38Å; T426-C429 VanDerWaalsContact O-N 3.13Å; C429-L432 PolarHBondContact O-N 2.99Å; C429-L433 WeakPolarHBondContact O-CB 3.47Å; C429-L433 VanDerWaalsContact O-CG 3.3Å; C429-L433 WeakPolarHBondContact O-CG 3.47Å; C429-L433 PolarHBondContact O-N 3.48Å |
| 430 | D | 89 | Confident | 80.1 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.8 | -37.3 | 177.9 | -68.6 | -22.7 | 0 | 0 | 0 | 111.6 | T426 K427 L433 S434 | T426-D430 WeakPolarHBondContact CG2-OD2 3.28Å; T426-D430 WeakPolarHBondContact O-CB 3.16Å; T426-D430 VanDerWaalsContact O-CG 3.3Å; T426-D430 PolarHBondContact O-N 3.17Å; K427-D430 PolarHBondContact O-N 2.79Å; D430-L433 PolarHBondContact O-N 3.27Å; D430-S434 VanDerWaalsContact O-CB 3.22Å; D430-S434 WeakPolarHBondContact O-CB 3.23Å; D430-S434 PolarHBondContact O-N 3.39Å |
| 431 | E | 85.9 | Confident | 79.3 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -40.6 | 170.6 | -85.6 | -164.2 | -137.8 | 0 | 0 | 112.5 | K427 I428 S434 K435 | K427-E431 WeakPolarHBondContact O-CB 3.35Å; K427-E431 WeakPolarHBondContact O-CG 3.32Å; K427-E431 PolarHBondContact O-N 2.79Å; I428-E431 PolarHBondContact O-N 3.47Å; E431-S434 PolarHBondContact O-N 3.03Å; E431-K435 WeakPolarHBondContact O-CB 3.45Å; E431-K435 VanDerWaalsContact O-CG 3.32Å; E431-K435 WeakPolarHBondContact O-CG 3.37Å; E431-K435 PolarHBondContact O-N 2.72Å; E431-K435 IonicContact OE2-NZ 3.53Å; E431-K435 PolarHBondContact OE2-NZ 2.88Å |
| 432 | L | 85.2 | Confident | 78.6 | Confident | 88 Ų | 88 | 106.4 Ų | 106.4 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.6 | -44.1 | 175.8 | -73.3 | 168 | 0 | 0 | 0 | 111 | I428 C429 S434 K435 Y436 | I428-L432 HydrophobicContact CG2-CD1 4.03Å; I428-L432 WeakPolarHBondContact O-CB 3.5Å; I428-L432 VanDerWaalsContact O-CG 3.24Å; I428-L432 WeakPolarHBondContact O-CG 3.43Å; I428-L432 PolarHBondContact O-N 2.8Å; C429-L432 PolarHBondContact O-N 2.99Å; L432-S434 VanDerWaalsContact C-N 3.32Å; L432-S434 PolarHBondContact O-N 3.34Å; L432-K435 PolarHBondContact O-N 3.01Å; L432-Y436 HydrophobicContact CD2-CD2 4.21Å; L432-Y436 HydrophobicContact CD2-CE2 3.94Å; L432-Y436 WeakPolarHBondContact O-CB 3.26Å; L432-Y436 WeakPolarHBondContact O-CD2 3.48Å; L432-Y436 PolarHBondContact O-N 2.94Å |
| 433 | L | 79.8 | Confident | 77.7 | Confident | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.5 | -37.8 | 173.7 | -74.5 | 166.5 | 0 | 0 | 0 | 111.6 | C429 D430 G437 | C429-L433 WeakPolarHBondContact O-CB 3.47Å; C429-L433 VanDerWaalsContact O-CG 3.3Å; C429-L433 WeakPolarHBondContact O-CG 3.47Å; C429-L433 PolarHBondContact O-N 3.48Å; D430-L433 PolarHBondContact O-N 3.27Å; L433-G437 WeakPolarHBondContact O-CA 3.46Å; L433-G437 PolarHBondContact O-N 3.09Å |
| 434 | S | 82.1 | Confident | 76.8 | Confident | 98 Ų | 98 | 107.6 Ų | 107.6 | 69% | 0.685 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.8 | -31.1 | 175 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | D430 E431 L432 | D430-S434 VanDerWaalsContact O-CB 3.22Å; D430-S434 WeakPolarHBondContact O-CB 3.23Å; D430-S434 PolarHBondContact O-N 3.39Å; E431-S434 PolarHBondContact O-N 3.03Å; L432-S434 VanDerWaalsContact C-N 3.32Å; L432-S434 PolarHBondContact O-N 3.34Å |
| 435 | K | 76.8 | Confident | 75.8 | Confident | 132 Ų | 132 | 107.4 Ų | 107.4 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83.7 | -28.6 | 178.3 | -76.6 | 166.9 | -179.6 | 155.5 | 0 | 114.3 | E431 L432 | E431-K435 WeakPolarHBondContact O-CB 3.45Å; E431-K435 VanDerWaalsContact O-CG 3.32Å; E431-K435 WeakPolarHBondContact O-CG 3.37Å; E431-K435 PolarHBondContact O-N 2.72Å; E431-K435 IonicContact OE2-NZ 3.53Å; E431-K435 PolarHBondContact OE2-NZ 2.88Å; L432-K435 PolarHBondContact O-N 3.01Å |
| 436 | Y | 66 | Low | 74.6 | Confident | 172 Ų | 172 | 107.7 Ų | 107.7 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -121.4 | -23.8 | -173.4 | -64.4 | -73.5 | 0 | 0 | 0 | 114.7 | L432 | L432-Y436 HydrophobicContact CD2-CD2 4.21Å; L432-Y436 HydrophobicContact CD2-CE2 3.94Å; L432-Y436 WeakPolarHBondContact O-CB 3.26Å; L432-Y436 WeakPolarHBondContact O-CD2 3.48Å; L432-Y436 PolarHBondContact O-N 2.94Å |
| 437 | G | 60.1 | Low | 73.4 | Confident | 50 Ų | 50 | 109.9 Ų | 109.9 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -83.8 | -7.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L433 I439 | L433-G437 WeakPolarHBondContact O-CA 3.46Å; L433-G437 PolarHBondContact O-N 3.09Å; G437-I439 PolarHBondContact O-N 2.64Å; G437-I439 VanDerWaalsContact O-N 3.11Å |
| 438 | G | 53.3 | Low | 72 | Confident | 69 Ų | 69 | 110 Ų | 110 | 71% | 0.711 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -76.2 | 20.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 439 | I | 46.4 | Very low | 70.6 | Confident | 133 Ų | 133 | 111.5 Ų | 111.5 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | trans | -135.6 | 48.1 | -171.7 | -38.6 | -180 | 0 | 0 | 0 | 112.1 | G437 | G437-I439 PolarHBondContact O-N 2.64Å; G437-I439 VanDerWaalsContact O-N 3.11Å | ||
| 440 | T | 34.4 | Very low | 69 | Low | 213 Ų | 213 | 115.4 Ų | 115.4 | 100% | 1.307 | 66% | 0.655 | S | S | * | * | trans | -174.9 | 0 | 146.6 | 33.7 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 440 of 440 residues in 199.4 ms
(Link to these results)