| 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 | 41.1 | Very low | 47.6 | Very low | 221 Ų | 221 | 144 Ų | 144 | 100% | 1.089 | 78% | 0.775 | S | S | * | * | 0 | 83.1 | 0 | -59.1 | -44.9 | -166.9 | 0 | 0 | 108.3 | |||||
| 2 | D | 42.1 | Very low | 47.5 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 66.3 | 158.6 | 139.3 | -44.8 | -64.3 | 0 | 0 | 0 | 119.9 | ||||
| 3 | F | 40.9 | Very low | 48.2 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -105.7 | 164.1 | -155.4 | -116.5 | -106.7 | 0 | 0 | 0 | 114.1 | E5 | F3-E5 PolarHBondContact O-N 3.36Š| ||
| 4 | D | 48 | Very low | 48.6 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | trans | -70.1 | 115.5 | 178.6 | -167.2 | -78 | 0 | 0 | 0 | 111.6 | R6 | D4-R6 IonicContact OD1-CZ 3.42Å; D4-R6 IonicContact OD1-NH1 3.17Å; D4-R6 PolarHBondContact OD1-NH1 3.2Å; D4-R6 IonicContact OD2-CZ 3.96Å; D4-R6 IonicContact OD2-NH1 2.7Å; D4-R6 PolarHBondContact OD2-NH1 3.02Å | ||
| 5 | E | 55.7 | Low | 49.1 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -107.7 | 77.9 | 173.8 | -163 | -178.3 | 132.2 | 0 | 0 | 111.7 | F3 V7 | F3-E5 PolarHBondContact O-N 3.36Å; E5-V7 HydrophobicContact CG-CG2 4.1Å | ||
| 6 | R | 50.8 | Low | 49 | Very low | 193 Ų | 193 | 147 Ų | 147 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | -84.1 | 111.6 | 158.8 | -76.6 | -178.6 | -177 | 78.3 | 2 | 109.9 | D4 P8 | D4-R6 IonicContact OD1-CZ 3.42Å; D4-R6 IonicContact OD1-NH1 3.17Å; D4-R6 PolarHBondContact OD1-NH1 3.2Å; D4-R6 IonicContact OD2-CZ 3.96Å; D4-R6 IonicContact OD2-NH1 2.7Å; D4-R6 PolarHBondContact OD2-NH1 3.02Å; R6-P8 WeakPolarHBondContact O-CD 3.48Å | ||
| 7 | V | 49.1 | Very low | 48.4 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 62% | 0.624 | 77% | 0.767 | S | S | * | * | trans | -89.1 | 111.5 | 169.4 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | E5 | E5-V7 HydrophobicContact CG-CG2 4.1Š| ||
| 8 | P | 53.5 | Low | 48.2 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -83.7 | 121.5 | 166.3 | 32.6 | -31.6 | 0 | 0 | 0 | 110.3 | R6 G10 | R6-P8 WeakPolarHBondContact O-CD 3.48Å; P8-G10 VanDerWaalsContact C-N 3.28Å; P8-G10 PolarHBondContact O-N 3.2Å | ||
| 9 | V | 49.4 | Very low | 48.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -75.8 | 82.8 | 172.2 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | S11 | V9-S11 PolarHBondContact O-N 2.96Š| ||
| 10 | G | 43.5 | Very low | 48.4 | Very low | 58 Ų | 58 | 145.4 Ų | 145.4 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | trans | -87.5 | 94.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P8 N12 | P8-G10 VanDerWaalsContact C-N 3.28Å; P8-G10 PolarHBondContact O-N 3.2Å; G10-N12 VanDerWaalsContact C-N 3.28Å; G10-N12 PolarHBondContact O-N 3.05Å | ||
| 11 | S | 49.7 | Very low | 48.5 | Very low | 110 Ų | 110 | 148.3 Ų | 148.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -73.2 | 76.9 | 179.3 | 53 | 0 | 0 | 0 | 0 | 112.2 | V9 M13 | V9-S11 PolarHBondContact O-N 2.96Å; S11-M13 PolarHBondContact O-N 3.15Å | ||
| 12 | N | 46.2 | Very low | 48.7 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -64.1 | 111.3 | 175.3 | -86 | -62.8 | 0 | 0 | 0 | 111.5 | G10 Y14 | G10-N12 VanDerWaalsContact C-N 3.28Å; G10-N12 PolarHBondContact O-N 3.05Å; N12-Y14 PolarHBondContact O-N 2.81Å | ||
| 13 | M | 56.4 | Low | 49 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | -75.3 | 70.7 | 171.8 | -75.5 | -70.5 | -68 | 0 | 0 | 111.1 | S11 | S11-M13 PolarHBondContact O-N 3.15Š| ||
| 14 | Y | 54.3 | Low | 49.4 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | -93.4 | 109.1 | 176.5 | -161.4 | -97 | 0 | 0 | 0 | 110.9 | N12 P16 | N12-Y14 PolarHBondContact O-N 2.81Å; Y14-P16 HydrophobicContact CE1-CB 4.26Å; Y14-P16 VanDerWaalsContact O-CD 3.3Å; Y14-P16 WeakPolarHBondContact O-CD 3.44Å | ||
| 15 | L | 55.2 | Low | 49.4 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -98.7 | 101.7 | 173.6 | -88.3 | 156.6 | 0 | 0 | 0 | 109.4 | ||||
| 16 | P | 47.6 | Very low | 49 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 58% | 0.584 | 75% | 0.751 | S | S | * | * | trans | -75.1 | 152.9 | 176.5 | 31.2 | -34.8 | 0 | 0 | 0 | 112.1 | Y14 | Y14-P16 HydrophobicContact CE1-CB 4.26Å; Y14-P16 VanDerWaalsContact O-CD 3.3Å; Y14-P16 WeakPolarHBondContact O-CD 3.44Å | ||
| 17 | S | 40.1 | Very low | 49 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | 68.5 | 55.2 | 159.4 | -51.5 | 0 | 0 | 0 | 0 | 118.3 | T19 | S17-T19 PolarHBondContact O-N 2.91Š| ||
| 18 | C | 44.6 | Very low | 48.8 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 95% | 0.946 | 77% | 0.768 | S | S | * | * | trans | -71.6 | 69 | 151.5 | -74.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 19 | T | 51 | Low | 48.6 | Very low | 100 Ų | 100 | 135 Ų | 135 | 61% | 0.613 | 78% | 0.775 | S | S | * | * | trans | -101.5 | 109.9 | 176.1 | 49.4 | 0 | 0 | 0 | 0 | 111 | S17 Y21 | S17-T19 PolarHBondContact O-N 2.91Å; T19-Y21 PolarHBondContact O-N 2.68Å | ||
| 20 | Y | 48.9 | Very low | 49 | Very low | 217 Ų | 217 | 131.7 Ų | 131.7 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -77.6 | 109.6 | -177.1 | -160.2 | -89.9 | 0 | 0 | 0 | 110.8 | V22 | Y20-V22 HydrophobicContact CD1-CG2 4.23Å; Y20-V22 HydrophobicContact CE1-CG2 3.84Å | ||
| 21 | Y | 51.2 | Low | 49.6 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -117.1 | 122.3 | 172.1 | -93.4 | -81.4 | 0 | 0 | 0 | 111.3 | T19 S23 | T19-Y21 PolarHBondContact O-N 2.68Å; Y21-S23 PolarHBondContact O-N 3.09Å | ||
| 22 | V | 45 | Very low | 49.7 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -86 | 105.3 | 171.2 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | Y20 A24 | Y20-V22 HydrophobicContact CD1-CG2 4.23Å; Y20-V22 HydrophobicContact CE1-CG2 3.84Å; V22-A24 PolarHBondContact O-N 2.82Å | ||
| 23 | S | 48.7 | Very low | 50.1 | Low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -76.8 | 111.3 | 168.8 | -65 | 0 | 0 | 0 | 0 | 109.8 | Y21 | Y21-S23 PolarHBondContact O-N 3.09Š| ||
| 24 | A | 49.2 | Very low | 49.9 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -89.5 | 133.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V22 | V22-A24 PolarHBondContact O-N 2.82Š| ||
| 25 | G | 47.5 | Very low | 49.7 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | 81.8 | 104 | 172 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 26 | T | 46.7 | Very low | 49.3 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | -174.8 | 104.5 | 106.5 | 40 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 27 | D | 51.9 | Low | 49.2 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 20.6 | 102.9 | 134 | -5.4 | -57.9 | 0 | 0 | 0 | 117.4 | ||||
| 28 | F | 43.6 | Very low | 49.6 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -130 | 93.5 | 149.1 | -107.7 | -85.3 | 0 | 0 | 0 | 109.9 | ||||
| 29 | S | 50.1 | Low | 49.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -76 | 134.5 | 166.3 | -178 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 30 | G | 56.7 | Low | 49.4 | Very low | 66 Ų | 66 | 137.7 Ų | 137.7 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 142.2 | 53.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 31 | L | 56.3 | Low | 49.5 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -129.2 | 140.9 | 155.9 | -74.1 | 177.6 | 0 | 0 | 0 | 109.8 | ||||
| 32 | P | 52.2 | Low | 49.6 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -80.1 | 130.9 | -163.2 | 29.9 | -35.6 | 0 | 0 | 0 | 114.2 | F34 | P32-F34 VanDerWaalsContact C-N 3.35Å; P32-F34 PolarHBondContact O-N 3.28Å | ||
| 33 | S | 55.6 | Low | 49.7 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 71.8 | -179.6 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 34 | F | 51.3 | Low | 49.8 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -111.7 | 49.8 | 172.9 | -85.4 | -73.4 | 0 | 0 | 0 | 114 | P32 | P32-F34 VanDerWaalsContact C-N 3.35Å; P32-F34 PolarHBondContact O-N 3.28Å | ||
| 35 | L | 49.4 | Very low | 49.8 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -123 | 109.7 | 148.6 | -76.3 | 175.5 | 0 | 0 | 0 | 108 | Q37 | L35-Q37 PolarHBondContact O-N 3.43Š|
| 36 | S | 46.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -66.3 | 120.2 | 178.2 | 30.7 | 0 | 0 | 0 | 0 | 110.2 | T38 | S36-T38 PolarHBondContact O-N 3.23Å; S36-T38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | Q | 47.3 | Very low | 49.7 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -66.3 | 110 | 175 | -64.8 | 177.5 | 11.3 | 0 | 0 | 109.7 | L35 P39 | L35-Q37 PolarHBondContact O-N 3.43Å; Q37-P39 WeakPolarHBondContact O-CD 3.43Å | ||
| 38 | T | 47.3 | Very low | 49.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 119.2 | 163.5 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | S36 | S36-T38 PolarHBondContact O-N 3.23Å; S36-T38 VanDerWaalsContact O-N 3.11Å | ||
| 39 | P | 49.8 | Very low | 49.5 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -78.7 | 152.9 | -175.9 | 31.6 | -35.4 | 0 | 0 | 0 | 112.6 | Q37 | Q37-P39 WeakPolarHBondContact O-CD 3.43Š| ||
| 40 | S | 42.8 | Very low | 49.7 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | 65.7 | 87 | 160.4 | -152.9 | 0 | 0 | 0 | 0 | 117 | R42 | S40-R42 PolarHBondContact O-N 3.17Å; S40-R42 WeakPolarHBondContact OG-CG 3.38Å | ||
| 41 | T | 49.7 | Very low | 49.7 | Very low | 147 Ų | 147 | 142 Ų | 142 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -59.9 | 89.9 | 146.5 | -55.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 42 | R | 54.1 | Low | 49.9 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | -80.6 | 125.9 | 162.4 | -66.4 | -170.6 | 176 | -173.3 | -2.5 | 108.2 | S40 M44 | S40-R42 PolarHBondContact O-N 3.17Å; S40-R42 WeakPolarHBondContact OG-CG 3.38Å; R42-M44 PolarHBondContact O-N 2.94Å; R42-M44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | P | 47.8 | Very low | 49.9 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -64 | 116.5 | 166.1 | 27.4 | -31.7 | 0 | 0 | 0 | 107.8 | T45 | P43-T45 PolarHBondContact O-N 3.22Š| ||
| 44 | M | 50.6 | Low | 49.9 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -73.2 | 96 | 178.7 | -164.1 | 67.7 | 171.7 | 0 | 0 | 108.5 | R42 Y46 | R42-M44 PolarHBondContact O-N 2.94Å; R42-M44 VanDerWaalsContact O-N 3.14Å; M44-Y46 VanDerWaalsContact C-N 3.28Å; M44-Y46 HydrophobicContact CB-CD2 4.23Å; M44-Y46 HydrophobicContact CB-CE2 3.85Å; M44-Y46 HydrophobicContact CG-CD2 4.03Å; M44-Y46 HydrophobicContact CG-CE2 3.51Å; M44-Y46 VanDerWaalsContact O-CD2 3.31Å; M44-Y46 WeakPolarHBondContact O-CD2 3.38Å; M44-Y46 PolarHBondContact O-N 3.46Å | ||
| 45 | T | 49.1 | Very low | 50 | Low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -72.7 | 82.3 | -179.3 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | P43 S47 | P43-T45 PolarHBondContact O-N 3.22Å; T45-S47 PolarHBondContact O-N 2.9Å; T45-S47 VanDerWaalsContact O-N 3.13Å | ||
| 46 | Y | 44.6 | Very low | 49.8 | Very low | 188 Ų | 188 | 139 Ų | 139 | 74% | 0.737 | 76% | 0.764 | S | S | * | * | trans | -65.8 | 108 | 168.8 | -73.1 | -82.5 | 0 | 0 | 0 | 109.4 | M44 Y48 | M44-Y46 VanDerWaalsContact C-N 3.28Å; M44-Y46 HydrophobicContact CB-CD2 4.23Å; M44-Y46 HydrophobicContact CB-CE2 3.85Å; M44-Y46 HydrophobicContact CG-CD2 4.03Å; M44-Y46 HydrophobicContact CG-CE2 3.51Å; M44-Y46 VanDerWaalsContact O-CD2 3.31Å; M44-Y46 WeakPolarHBondContact O-CD2 3.38Å; M44-Y46 PolarHBondContact O-N 3.46Å; Y46-Y48 PolarHBondContact O-N 3.42Å | ||
| 47 | S | 46.7 | Very low | 50.2 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -67.9 | 79.5 | 170.1 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | T45 S49 | T45-S47 PolarHBondContact O-N 2.9Å; T45-S47 VanDerWaalsContact O-N 3.13Å; S47-S49 PolarHBondContact O-N 3.43Å | ||
| 48 | Y | 42.2 | Very low | 50.6 | Low | 175 Ų | 175 | 135.5 Ų | 135.5 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -74.7 | 120.7 | 173.3 | -160.6 | -88.1 | 0 | 0 | 0 | 109.1 | Y46 S50 | Y46-Y48 PolarHBondContact O-N 3.42Å; Y48-S50 PolarHBondContact O-N 3.47Å | ||
| 49 | S | 49.3 | Very low | 51.1 | Low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -64.7 | 107.4 | 178.4 | -68.1 | 0 | 0 | 0 | 0 | 110.8 | S47 N51 | S47-S49 PolarHBondContact O-N 3.43Å; S49-N51 PolarHBondContact O-N 3.08Å | ||
| 50 | S | 53.7 | Low | 51.4 | Low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -68.6 | 84.7 | -179.1 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | Y48 | Y48-S50 PolarHBondContact O-N 3.47Š| ||
| 51 | N | 57.8 | Low | 51.7 | Low | 153 Ų | 153 | 143.8 Ų | 143.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -131.8 | 38.2 | 164.6 | -84.2 | -72.5 | 0 | 0 | 0 | 111.3 | S49 | S49-N51 PolarHBondContact O-N 3.08Š| ||
| 52 | L | 60.6 | Low | 52 | Low | 131 Ų | 131 | 142.1 Ų | 142.1 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -103.5 | 139.2 | 160.5 | -104.3 | 66.2 | 0 | 0 | 0 | 108.6 | ||
| 53 | P | 51.8 | Low | 51.6 | Low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -62.6 | 140.8 | 174.9 | 26.9 | -33.9 | 0 | 0 | 0 | 110.8 | V55 | P53-V55 PolarHBondContact O-N 3.32Š| ||
| 54 | Q | 54.6 | Low | 51.9 | Low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -69.4 | 95.7 | -173.8 | -178 | 175.5 | -17.3 | 0 | 0 | 111.6 | Q56 | Q54-Q56 PolarHBondContact O-N 2.87Š| ||
| 55 | V | 54 | Low | 51.9 | Low | 133 Ų | 133 | 147.1 Ų | 147.1 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 121.5 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | P53 | P53-V55 PolarHBondContact O-N 3.32Š|
| 56 | Q | 45.6 | Very low | 51.9 | Low | 138 Ų | 138 | 150.6 Ų | 150.6 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 148.1 | -177.8 | -69.1 | -76.2 | 40.2 | 0 | 0 | 112.4 | Q54 V58 | Q54-Q56 PolarHBondContact O-N 2.87Å; Q56-V58 PolarHBondContact O-N 2.93Å |
| 57 | P | 55.8 | Low | 52.4 | Low | 100 Ų | 100 | 146.6 Ų | 146.6 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 121.6 | 178.7 | 27.6 | -33.8 | 0 | 0 | 0 | 111.1 | R59 | P57-R59 VanDerWaalsContact C-N 3.28Å; P57-R59 PolarHBondContact O-N 3.28Å |
| 58 | V | 54.4 | Low | 52.7 | Low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -72.8 | 79.1 | -178.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | Q56 | Q56-V58 PolarHBondContact O-N 2.93Š|
| 59 | R | 59.3 | Low | 53 | Low | 228 Ų | 228 | 142.1 Ų | 142.1 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -146.1 | 17.2 | 165 | 71.6 | 173.5 | -170.9 | 167.2 | 3.9 | 115.5 | P57 | P57-R59 VanDerWaalsContact C-N 3.28Å; P57-R59 PolarHBondContact O-N 3.28Å |
| 60 | E | 54.5 | Low | 52.7 | Low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -163.1 | 99 | 155.3 | -117.1 | 166.7 | -158.9 | 0 | 0 | 109.4 | ||||
| 61 | V | 48.8 | Very low | 52.2 | Low | 98 Ų | 98 | 145.2 Ų | 145.2 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -137.4 | 114 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 62 | T | 56.9 | Low | 51.5 | Low | 112 Ų | 112 | 143.4 Ų | 143.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -71.3 | 154.2 | 177.1 | 41.7 | 0 | 0 | 0 | 0 | 110.6 | R64 | T62-R64 PolarHBondContact O-N 3.43Š| ||
| 63 | F | 46 | Very low | 51.1 | Low | 217 Ų | 217 | 140.3 Ų | 140.3 | 95% | 0.952 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 33.6 | -166.3 | -170.2 | -105 | 0 | 0 | 0 | 115 | ||
| 64 | R | 53.2 | Low | 50.7 | Low | 218 Ų | 218 | 143.2 Ų | 143.2 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -29.9 | -174 | -84.1 | -74.9 | 175.2 | -169.2 | -1.9 | 115.5 | T62 Y66 | T62-R64 PolarHBondContact O-N 3.43Å; R64-Y66 PolarHBondContact O-N 3.33Å |
| 65 | D | 51.8 | Low | 50.1 | Low | 130 Ų | 130 | 146.4 Ų | 146.4 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -92.6 | 7.7 | -165.7 | -65.9 | -54.8 | 0 | 0 | 0 | 116.5 | A67 | D65-A67 VanDerWaalsContact C-N 3.3Å; D65-A67 PolarHBondContact O-N 3.24Å |
| 66 | Y | 49.3 | Very low | 49.6 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -89.9 | 20.8 | 177.9 | -102.4 | -81.9 | 0 | 0 | 0 | 114.9 | R64 I69 | R64-Y66 PolarHBondContact O-N 3.33Å; Y66-I69 HydrophobicContact CE1-CD1 4.04Å | ||
| 67 | A | 54.5 | Low | 49.4 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -91.6 | 15.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D65 | D65-A67 VanDerWaalsContact C-N 3.3Å; D65-A67 PolarHBondContact O-N 3.24Å |
| 68 | G | 53.3 | Low | 48.9 | Very low | 69 Ų | 69 | 153.3 Ų | 153.3 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -139.7 | 13.9 | -168 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 69 | I | 48.6 | Very low | 48.2 | Very low | 134 Ų | 134 | 150.4 Ų | 150.4 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -115.3 | 118.1 | 175.2 | -59.7 | 179.3 | 0 | 0 | 0 | 108.8 | Y66 | Y66-I69 HydrophobicContact CE1-CD1 4.04Š|
| 70 | E | 42.3 | Very low | 47.1 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -64.9 | 133 | -172.9 | -63 | -163.4 | 134.9 | 0 | 0 | 113.3 | ||||
| 71 | A | 42.8 | Very low | 46.6 | Very low | 89 Ų | 89 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -78.7 | 128.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G73 | A71-G73 PolarHBondContact O-N 3.41Š| ||
| 72 | P | 43.9 | Very low | 46 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -73.3 | 75.5 | 179.6 | 29.5 | -35.5 | 0 | 0 | 0 | 111.7 | K74 | P72-K74 PolarHBondContact O-N 3.15Š| ||
| 73 | G | 51.7 | Low | 45.2 | Very low | 65 Ų | 65 | 149.1 Ų | 149.1 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -58.4 | 117.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A71 | A71-G73 PolarHBondContact O-N 3.41Š| ||
| 74 | K | 44.2 | Very low | 44.9 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -176.4 | 66.7 | 160.1 | 46 | -170.5 | 144.3 | -68.3 | 0 | 112.1 | P72 | P72-K74 PolarHBondContact O-N 3.15Š| ||
| 75 | W | 42.1 | Very low | 44.1 | Very low | 242 Ų | 242 | 145 Ų | 145 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -80 | 127.1 | 150.3 | -72.3 | 94.2 | 0 | 0 | 0 | 107.5 | H77 | W75-H77 PolarHBondContact O-N 3.43Å; W75-H77 VanDerWaalsContact O-N 3.13Å | ||
| 76 | P | 43.2 | Very low | 43.5 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -70.8 | 111.6 | -177.3 | 26.8 | -33.2 | 0 | 0 | 0 | 110.7 | R78 | P76-R78 PolarHBondContact O-N 3.15Š| ||
| 77 | H | 41.9 | Very low | 42.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -57.4 | 127.6 | 169.3 | -79.1 | -81 | 0 | 0 | 0 | 110 | W75 G79 | W75-H77 PolarHBondContact O-N 3.43Å; W75-H77 VanDerWaalsContact O-N 3.13Å; H77-G79 PolarHBondContact O-N 3.33Å | ||
| 78 | R | 44.2 | Very low | 42.4 | Very low | 210 Ų | 210 | 139.6 Ų | 139.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -77.1 | 104.8 | 161.2 | -75.9 | -170.9 | 168.3 | -84.2 | -9.7 | 107.7 | P76 | P76-R78 PolarHBondContact O-N 3.15Š| ||
| 79 | G | 39.1 | Very low | 42.1 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -57.9 | 141.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | H77 | H77-G79 PolarHBondContact O-N 3.33Š| ||
| 80 | N | 36.7 | Very low | 41.7 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -87.2 | 122.3 | 176.1 | -168.5 | 9.4 | 0 | 0 | 0 | 109.2 | S82 | N80-S82 PolarHBondContact O-N 3.42Š| ||
| 81 | L | 43.5 | Very low | 41.6 | Very low | 172 Ų | 172 | 143 Ų | 143 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -88.6 | 90.8 | -178.2 | -176.3 | 70.7 | 0 | 0 | 0 | 109.7 | ||||
| 82 | S | 37.2 | Very low | 42.5 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | trans | -144.3 | 63 | -175.5 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | N80 | N80-S82 PolarHBondContact O-N 3.42Š| ||
| 83 | Q | 39.9 | Very low | 42.4 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -141.3 | 38.5 | 176.3 | -143 | 83.4 | 57.5 | 0 | 0 | 113.3 | ||||
| 84 | C | 39.5 | Very low | 41.6 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 61.7 | 177.3 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 85 | Y | 37 | Very low | 41.2 | Very low | 227 Ų | 227 | 151.5 Ų | 151.5 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -159.8 | 127.1 | 146 | -123.5 | -82.9 | 0 | 0 | 0 | 109.4 | ||||
| 86 | S | 38 | Very low | 40.9 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -120.3 | 161.2 | 172 | -68.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 87 | S | 34.4 | Very low | 40.6 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | 65.4 | 142.1 | -171.7 | -96.5 | 0 | 0 | 0 | 0 | 115.6 | E89 | S87-E89 VanDerWaalsContact CA-OE1 3.23Å; S87-E89 WeakPolarHBondContact CA-OE1 3.48Å; S87-E89 WeakPolarHBondContact CB-OE1 3.3Å; S87-E89 PolarHBondContact OG-OE1 3.41Å | ||
| 88 | A | 47.4 | Very low | 40 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -139 | 53.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 89 | E | 45.4 | Very low | 39.7 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 64% | 0.64 | 78% | 0.782 | S | S | * | * | trans | -134.6 | 148.2 | 176.9 | 32.3 | -91.3 | 118.7 | 0 | 0 | 111.4 | S87 | S87-E89 VanDerWaalsContact CA-OE1 3.23Å; S87-E89 WeakPolarHBondContact CA-OE1 3.48Å; S87-E89 WeakPolarHBondContact CB-OE1 3.3Å; S87-E89 PolarHBondContact OG-OE1 3.41Å | ||
| 90 | D | 40.3 | Very low | 39.3 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 40.9 | 112.2 | 168.1 | -79.5 | -83 | 0 | 0 | 0 | 120.9 | ||||
| 91 | M | 41.7 | Very low | 39 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | -173 | 150 | 96.6 | -96.9 | 171.8 | 65.1 | 0 | 0 | 113.2 | |||||
| 92 | V | 60.9 | Low | 38.8 | Very low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | -88.4 | -174.9 | 172.2 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 93 | H | 41.8 | Very low | 38.8 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | trans | 85.2 | 146.9 | -179.8 | -58 | -85.3 | 0 | 0 | 0 | 116.6 | ||||
| 94 | R | 35.9 | Very low | 38.6 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | cis | -159.3 | 176.8 | -32.8 | -138.7 | -169 | -168.2 | -127.8 | 9.6 | 108.7 | ||||
| 95 | E | 34.9 | Very low | 38.6 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 66% | 0.659 | 77% | 0.774 | S | S | * | * | trans | -44.8 | 148.5 | -177.8 | -56.6 | 135 | 106.5 | 0 | 0 | 116.9 | ||||
| 96 | C | 35.1 | Very low | 38.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | -163.8 | 127.5 | 111.5 | -122.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 97 | L | 37.8 | Very low | 39.3 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 24.7 | 125.7 | 140.6 | -51.6 | 175.1 | 0 | 0 | 0 | 118 | ||||
| 98 | S | 28.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | -148.5 | 135.8 | 69.8 | -178.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 99 | A | 37.4 | Very low | 39.4 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -140.2 | 135.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | Q | 30.7 | Very low | 38.9 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -126.8 | 100.2 | 161.2 | -83.2 | -175.9 | -11 | 0 | 0 | 106.2 | ||||
| 101 | T | 31.4 | Very low | 38.6 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | 65.9 | 105.9 | 101.3 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 102 | A | 38.4 | Very low | 38.4 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | 73.6 | 137.6 | 69.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 103 | V | 37.9 | Very low | 38 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | cis | -160.7 | 171.6 | 2.4 | -107.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 104 | V | 35.8 | Very low | 37.5 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | 58.7 | 153.1 | 170.8 | -56.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 105 | G | 39.7 | Very low | 37.5 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 123 | 88 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 106 | D | 34.3 | Very low | 37.3 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -158.9 | 170.1 | 158.2 | -140.3 | -43.7 | 0 | 0 | 0 | 112 | ||||
| 107 | M | 56.2 | Low | 37.2 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -115.4 | 130.3 | -171.2 | -69.4 | 164.2 | 43.3 | 0 | 0 | 112.9 | ||||
| 108 | F | 43.2 | Very low | 36.9 | Very low | 216 Ų | 216 | 127 Ų | 127 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -170.3 | 143 | 147.6 | -91.1 | -68.1 | 0 | 0 | 0 | 108.2 | ||||
| 109 | G | 39.6 | Very low | 37 | Very low | 56 Ų | 56 | 125.3 Ų | 125.3 | 58% | 0.577 | 81% | 0.81 | S | S | * | * | cis | 123.3 | 84.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 110 | K | 34.7 | Very low | 36.6 | Very low | 214 Ų | 214 | 125.1 Ų | 125.1 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -164.9 | 131.5 | 166.1 | -104.7 | 137.3 | -172.7 | 173.5 | 0 | 113.1 | ||||
| 111 | N | 33.5 | Very low | 36.6 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -77.1 | 161.9 | 176.3 | -72.9 | -11.5 | 0 | 0 | 0 | 112.9 | ||||
| 112 | S | 37.8 | Very low | 36.6 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | -163.7 | 155.9 | 112 | -80.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 113 | P | 53 | Low | 36.2 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -129.8 | 178.5 | -153.6 | 42.7 | -27.4 | 0 | 0 | 0 | 116.1 | ||||
| 114 | S | 32.3 | Very low | 35.7 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -149.2 | 141.2 | 153.5 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 115 | S | 35.2 | Very low | 35.5 | Very low | 124 Ų | 124 | 116.8 Ų | 116.8 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | trans | 14.4 | 137.3 | 158.2 | 54.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 116 | G | 31.2 | Very low | 35.2 | Very low | 70 Ų | 70 | 116.8 Ų | 116.8 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | cis | 152.7 | 142.1 | -3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 117 | S | 33.2 | Very low | 35.1 | Very low | 134 Ų | 134 | 115 Ų | 115 | 94% | 0.937 | 84% | 0.835 | S | S | * | * | trans | 60.5 | 143.1 | -178.3 | -58.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 118 | G | 30.6 | Very low | 34.1 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | cis | 113 | 126.6 | 11.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 119 | G | 31 | Very low | 33.5 | Very low | 86 Ų | 86 | 107.3 Ų | 107.3 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | cis | 179.3 | 169.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 120 | G | 30.2 | Very low | 33.3 | Very low | 85 Ų | 85 | 109.2 Ų | 109.2 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | 132 | 150.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 121 | G | 29.3 | Very low | 33.5 | Very low | 82 Ų | 82 | 104 Ų | 104 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | trans | -104.3 | -166.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 122 | A | 31.2 | Very low | 33.4 | Very low | 97 Ų | 97 | 101.5 Ų | 101.5 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | cis | -161 | 168.4 | 6.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 123 | A | 29.8 | Very low | 33.5 | Very low | 108 Ų | 108 | 99.7 Ų | 99.7 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | trans | 64.8 | 139.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 124 | G | 28.7 | Very low | 32.8 | Very low | 74 Ų | 74 | 98.5 Ų | 98.5 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 145.8 | 91 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 125 | A | 32 | Very low | 33.4 | Very low | 117 Ų | 117 | 98.1 Ų | 98.1 | 97% | 0.967 | 84% | 0.835 | S | S | * | * | trans | 58.3 | 161.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 126 | G | 32.7 | Very low | 34.1 | Very low | 69 Ų | 69 | 100.6 Ų | 100.6 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | -151.6 | 162.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 127 | S | 33.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 106.5 Ų | 106.5 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -159.1 | 148.8 | 164.5 | -82 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 128 | A | 33.9 | Very low | 35.5 | Very low | 105 Ų | 105 | 102.8 Ų | 102.8 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 141.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A130 | A128-A130 PolarHBondContact O-N 2.92Š| ||
| 129 | A | 29.9 | Very low | 36.4 | Very low | 108 Ų | 108 | 104.5 Ų | 104.5 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -80 | 116 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 130 | A | 36.8 | Very low | 37.3 | Very low | 96 Ų | 96 | 106.6 Ų | 106.6 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -97.6 | 141.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109.2 | A128 A132 | A128-A130 PolarHBondContact O-N 2.92Å; A130-A132 PolarHBondContact O-N 2.58Å | ||
| 131 | A | 37.7 | Very low | 38.1 | Very low | 104 Ų | 104 | 105.3 Ų | 105.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 118.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A133 | A131-A133 VanDerWaalsContact C-N 3.29Å; A131-A133 PolarHBondContact O-N 2.88Å | ||
| 132 | A | 32.5 | Very low | 39.4 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -74.6 | 76.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A130 A134 | A130-A132 PolarHBondContact O-N 2.58Å; A132-A134 PolarHBondContact O-N 3Å | ||
| 133 | A | 39.1 | Very low | 40.5 | Very low | 85 Ų | 85 | 115.8 Ų | 115.8 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -61.8 | 127.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A131 S135 | A131-A133 VanDerWaalsContact C-N 3.29Å; A131-A133 PolarHBondContact O-N 2.88Å; A133-S135 PolarHBondContact O-N 3.46Å | ||
| 134 | A | 38.9 | Very low | 41.8 | Very low | 98 Ų | 98 | 114.3 Ų | 114.3 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 92.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A132 F136 | A132-A134 PolarHBondContact O-N 3Å; A134-F136 VanDerWaalsContact C-N 3.28Å; A134-F136 PolarHBondContact O-N 3.5Å | ||
| 135 | S | 43.7 | Very low | 43.4 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 77.6 | 176.5 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | A133 Y137 G138 | A133-S135 PolarHBondContact O-N 3.46Å; S135-Y137 PolarHBondContact O-N 2.97Å; S135-G138 PolarHBondContact O-N 3.4Å | ||
| 136 | F | 50.5 | Low | 44.6 | Very low | 176 Ų | 176 | 116.8 Ų | 116.8 | 77% | 0.772 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -6.5 | -175.1 | -170.6 | -103.9 | 0 | 0 | 0 | 115.6 | A134 | A134-F136 VanDerWaalsContact C-N 3.28Å; A134-F136 PolarHBondContact O-N 3.5Å |
| 137 | Y | 45.4 | Very low | 46.1 | Very low | 195 Ų | 195 | 118 Ų | 118 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 22.5 | 173.2 | -75.7 | -71.3 | 0 | 0 | 0 | 113.8 | S135 | S135-Y137 PolarHBondContact O-N 2.97Š|
| 138 | G | 48.3 | Very low | 47.4 | Very low | 56 Ų | 56 | 119.8 Ų | 119.8 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -71.7 | 126.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S135 | S135-G138 PolarHBondContact O-N 3.4Š|
| 139 | S | 50.3 | Low | 48.8 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | 64.1 | 58.6 | 171 | -169.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 140 | V | 48.9 | Very low | 50.2 | Low | 130 Ų | 130 | 119 Ų | 119 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | -70.4 | 130.5 | 141.4 | -71.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 141 | G | 47.4 | Very low | 51.7 | Low | 58 Ų | 58 | 118.7 Ų | 118.7 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | trans | -69.4 | 157.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N143 | G141-N143 PolarHBondContact O-N 3.13Š| ||
| 142 | R | 56.3 | Low | 53.1 | Low | 253 Ų | 253 | 120.4 Ų | 120.4 | 96% | 0.955 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -69.4 | 36.6 | 178.2 | -69.1 | 178.4 | 165.1 | 174.5 | -6.6 | 114.3 | ||
| 143 | N | 53.7 | Low | 54.7 | Low | 146 Ų | 146 | 122.4 Ų | 122.4 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | trans | -107.4 | 51.5 | -170.6 | -65.9 | -7.8 | 0 | 0 | 0 | 112.7 | G141 V145 | G141-N143 PolarHBondContact O-N 3.13Å; N143-V145 PolarHBondContact O-N 2.92Å | ||
| 144 | G | 58 | Low | 55.7 | Low | 78 Ų | 78 | 124.8 Ų | 124.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 63.8 | 41.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||
| 145 | V | 61.5 | Low | 56.6 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 81% | 0.806 | 69% | 0.691 | S | S | * | * | trans | -133.5 | 43.3 | 169.7 | -154.6 | 0 | 0 | 0 | 0 | 113.7 | N143 | N143-V145 PolarHBondContact O-N 2.92Š| ||
| 146 | L | 58.8 | Low | 57.4 | Low | 110 Ų | 110 | 127.7 Ų | 127.7 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -126.4 | 144 | 157.8 | -84.1 | 89.9 | 0 | 0 | 0 | 109.6 | F150 | L146-F150 HydrophobicContact CB-CB 4.48Å; L146-F150 HydrophobicContact CD2-CB 3.75Å; L146-F150 HydrophobicContact CD2-CD1 3.94Å; L146-F150 HydrophobicContact CD2-CG 3.86Å |
| 147 | P | 64.4 | Low | 58 | Low | 94 Ų | 94 | 122.3 Ų | 122.3 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | trans | -63.8 | 139.6 | 168 | -18.5 | 32 | 0 | 0 | 0 | 110.5 | A149 F150 | P147-A149 PolarHBondContact O-N 2.82Å; P147-F150 PolarHBondContact O-N 2.65Å | ||
| 148 | Q | 59.2 | Low | 58.5 | Low | 168 Ų | 168 | 122.6 Ų | 122.6 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -55.2 | -20.9 | -176.5 | -163.4 | 171.3 | 2.2 | 0 | 0 | 114.4 | F150 D151 | Q148-F150 PolarHBondContact O-N 3.12Å; Q148-F150 VanDerWaalsContact O-N 3.14Å; Q148-D151 WeakPolarHBondContact CA-OD2 3.25Å; Q148-D151 PolarHBondContact O-N 3.49Å |
| 149 | A | 63.8 | Low | 58.3 | Low | 87 Ų | 87 | 122.9 Ų | 122.9 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -62.5 | -11 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P147 | P147-A149 PolarHBondContact O-N 2.82Š|
| 150 | F | 59.6 | Low | 57.4 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 47% | 0.474 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -91 | -16.8 | 174.8 | -105 | -95.9 | 0 | 0 | 0 | 114.2 | L146 P147 Q148 Q152 F153 Y154 | L146-F150 HydrophobicContact CB-CB 4.48Å; L146-F150 HydrophobicContact CD2-CB 3.75Å; L146-F150 HydrophobicContact CD2-CD1 3.94Å; L146-F150 HydrophobicContact CD2-CG 3.86Å; P147-F150 PolarHBondContact O-N 2.65Å; Q148-F150 PolarHBondContact O-N 3.12Å; Q148-F150 VanDerWaalsContact O-N 3.14Å; F150-Q152 VanDerWaalsContact C-N 3.35Å; F150-Q152 PolarHBondContact O-N 3.11Å; F150-F153 WeakPolarHBondContact O-CB 3.16Å; F150-F153 PolarHBondContact O-N 3.17Å; F150-Y154 WeakPolarHBondContact O-CD2 3.33Å |
| 151 | D | 68.6 | Low | 57.1 | Low | 91 Ų | 91 | 123.3 Ų | 123.3 | 49% | 0.487 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -66.5 | -39.6 | -176.5 | -63.5 | -42.3 | 0 | 0 | 0 | 111.3 | Q148 F153 Y154 E155 | Q148-D151 WeakPolarHBondContact CA-OD2 3.25Å; Q148-D151 PolarHBondContact O-N 3.49Å; D151-F153 PolarHBondContact O-N 2.83Å; D151-F153 VanDerWaalsContact O-N 3.11Å; D151-Y154 PolarHBondContact O-N 2.7Å; D151-E155 PolarHBondContact O-N 2.8Å |
| 152 | Q | 65.6 | Low | 56.3 | Low | 140 Ų | 140 | 125.5 Ų | 125.5 | 65% | 0.654 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -57.5 | -27.1 | 177.2 | -164.5 | 174.8 | 29.5 | 0 | 0 | 113.3 | F150 T156 | F150-Q152 VanDerWaalsContact C-N 3.35Å; F150-Q152 PolarHBondContact O-N 3.11Å; Q152-T156 WeakPolarHBondContact O-CB 3.23Å; Q152-T156 PolarHBondContact O-N 3.17Å; Q152-T156 VanDerWaalsContact O-N 3.16Å; Q152-T156 PolarHBondContact O-OG1 3.35Å |
| 153 | F | 66.1 | Low | 55.2 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.9 | -35.4 | 175.6 | -179.7 | -96.4 | 0 | 0 | 0 | 112.4 | F150 D151 | F150-F153 WeakPolarHBondContact O-CB 3.16Å; F150-F153 PolarHBondContact O-N 3.17Å; D151-F153 PolarHBondContact O-N 2.83Å; D151-F153 VanDerWaalsContact O-N 3.11Å |
| 154 | Y | 61.4 | Low | 54.2 | Low | 136 Ų | 136 | 120.6 Ų | 120.6 | 53% | 0.533 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -79.6 | -38.8 | 176.2 | -71 | -78.1 | 0 | 0 | 0 | 112 | F150 D151 T156 A157 Y158 | F150-Y154 WeakPolarHBondContact O-CD2 3.33Å; D151-Y154 PolarHBondContact O-N 2.7Å; Y154-T156 VanDerWaalsContact C-N 3.31Å; Y154-T156 PolarHBondContact O-N 3.33Å; Y154-A157 WeakPolarHBondContact O-CB 3.41Å; Y154-A157 PolarHBondContact O-N 2.87Å; Y154-Y158 PolarHBondContact O-N 2.88Å |
| 155 | E | 56.8 | Low | 52.8 | Low | 141 Ų | 141 | 121.8 Ų | 121.8 | 66% | 0.659 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -61.3 | -39.4 | 177.8 | -163.2 | 166.5 | -128 | 0 | 0 | 111.9 | D151 A157 Y158 G159 | D151-E155 PolarHBondContact O-N 2.8Å; E155-A157 PolarHBondContact O-N 3.17Å; E155-Y158 PolarHBondContact O-N 2.93Å; E155-G159 WeakPolarHBondContact O-CA 3.14Å; E155-G159 PolarHBondContact O-N 2.79Å |
| 156 | T | 61.4 | Low | 51.3 | Low | 119 Ų | 119 | 120 Ų | 120 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -24 | 173.9 | -55.3 | 0 | 0 | 0 | 0 | 113.4 | Q152 Y154 | Q152-T156 WeakPolarHBondContact O-CB 3.23Å; Q152-T156 PolarHBondContact O-N 3.17Å; Q152-T156 VanDerWaalsContact O-N 3.16Å; Q152-T156 PolarHBondContact O-OG1 3.35Å; Y154-T156 VanDerWaalsContact C-N 3.31Å; Y154-T156 PolarHBondContact O-N 3.33Å |
| 157 | A | 63.1 | Low | 50 | Low | 62 Ų | 62 | 120.1 Ų | 120.1 | 51% | 0.512 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | -17.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y154 E155 | Y154-A157 WeakPolarHBondContact O-CB 3.41Å; Y154-A157 PolarHBondContact O-N 2.87Å; E155-A157 PolarHBondContact O-N 3.17Å |
| 158 | Y | 56 | Low | 48.5 | Very low | 202 Ų | 202 | 121.8 Ų | 121.8 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -142.7 | 54.2 | -175.7 | -59.7 | -82.5 | 0 | 0 | 0 | 110.5 | Y154 E155 | Y154-Y158 PolarHBondContact O-N 2.88Å; E155-Y158 PolarHBondContact O-N 2.93Å |
| 159 | G | 43.1 | Very low | 47.2 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | -77.7 | 171.4 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | E155 | E155-G159 WeakPolarHBondContact O-CA 3.14Å; E155-G159 PolarHBondContact O-N 2.79Å | ||
| 160 | N | 30.8 | Very low | 45.6 | Very low | 168 Ų | 168 | 123.4 Ų | 123.4 | 90% | 0.898 | 70% | 0.701 | S | S | * | * | trans | -144.5 | 164.8 | 160.6 | -167.7 | 19 | 0 | 0 | 0 | 108.8 | ||||
| 161 | A | 42.6 | Very low | 44.2 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | trans | -105.6 | 129.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 162 | S | 31.7 | Very low | 42.4 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -162.3 | 112.5 | 156.8 | 57 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 163 | E | 33 | Very low | 40.8 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | 57.4 | 124.9 | 140.8 | -54.6 | -174.9 | 112.4 | 0 | 0 | 122.8 | ||||
| 164 | S | 32.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 68.1 | 145.2 | 133.1 | -63.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 165 | S | 29.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | -166.4 | 158.4 | -9.1 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 166 | S | 30.5 | Very low | 36.4 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | 61.7 | 114.9 | 142.9 | 63.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 167 | S | 31.2 | Very low | 35 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | 65.3 | 163.9 | 120.1 | -43.7 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 168 | V | 32.8 | Very low | 34 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | cis | -140.7 | 162 | 15.7 | -172.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 169 | N | 31.1 | Very low | 32.7 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 173.8 | 172.5 | -44 | -71.8 | 0 | 0 | 0 | 114.2 | ||||
| 170 | T | 30.1 | Very low | 32.1 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | 178.7 | 157.6 | 115.4 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 171 | A | 31.2 | Very low | 32.1 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | -127.8 | 164.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 172 | F | 29.4 | Very low | 31.4 | Very low | 209 Ų | 209 | 130.4 Ų | 130.4 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | trans | -162.3 | 177.7 | 145.4 | -132.4 | -100.2 | 0 | 0 | 0 | 113.6 | ||||
| 173 | S | 33 | Very low | 31.9 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -120 | 163.4 | -157.9 | -52.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 174 | G | 29.6 | Very low | 31.5 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 128.1 | 155.7 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 175 | D | 29.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | cis | 176.9 | 165.9 | -23.7 | 176.2 | -139 | 0 | 0 | 0 | 106 | ||||
| 176 | K | 33.7 | Very low | 31.5 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | 71.9 | 113.7 | 166 | -84.6 | 152.4 | -169.7 | 143.3 | 0 | 121.7 | ||||
| 177 | T | 31.9 | Very low | 32.1 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 173.5 | 141.4 | 63 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 178 | P | 41.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | -154.6 | 167.6 | 81.7 | 41.5 | -22.7 | 0 | 0 | 0 | 117.3 | |||||
| 179 | A | 29.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 51.5 | 154.1 | 140.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 180 | S | 28.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -177.6 | 151.4 | -18.5 | 174.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 181 | K | 30.8 | Very low | 31.5 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 152.1 | 137.3 | 132.6 | -83 | 178 | -178.7 | -176.6 | 0 | 114.5 | ||||
| 182 | Q | 29.3 | Very low | 31.8 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -100.2 | 175.9 | 164.8 | -135.9 | -180 | -4.9 | 0 | 0 | 108.4 | ||||
| 183 | P | 41 | Very low | 32.1 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | -148.1 | -159.8 | 65.2 | 40.7 | -18.4 | 0 | 0 | 0 | 115.6 | |||||
| 184 | E | 25.9 | Very low | 32.2 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | trans | -88.7 | 169.7 | -164.1 | -40.9 | 171.9 | 110.3 | 0 | 0 | 116.5 | ||||
| 185 | Q | 29.9 | Very low | 32.6 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | -171.1 | 169.9 | 112.3 | -102.1 | 153.5 | 104 | 0 | 0 | 115 | |||||
| 186 | T | 30.1 | Very low | 33 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | trans | -101.5 | 164.9 | -173.2 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 187 | P | 43.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | -144.2 | -175.5 | 83.5 | 44.3 | -26.8 | 0 | 0 | 0 | 112.1 | |||||
| 188 | S | 26.1 | Very low | 33.1 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | 80.1 | 135.3 | 17.2 | -168.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 189 | C | 26.4 | Very low | 33 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | cis | -166.2 | 177.4 | -17.9 | -110.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 190 | R | 31.6 | Very low | 33.4 | Very low | 233 Ų | 233 | 142.2 Ų | 142.2 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | trans | 74.9 | 153.7 | 155.6 | -89.9 | -175.1 | 173.6 | 152.1 | 0.9 | 119.5 | ||||
| 191 | D | 29.8 | Very low | 33.4 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -161.7 | 174.9 | -7.5 | -157.8 | -111.2 | 0 | 0 | 0 | 112.8 | ||||
| 192 | S | 36.6 | Very low | 33.6 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 158.9 | -176.3 | 158 | -71.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 193 | E | 35.7 | Very low | 34 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -136.8 | 179.6 | -174.5 | -96.2 | -110.9 | 77.8 | 0 | 0 | 109.7 | K195 | E193-K195 WeakPolarHBondContact OE1-CG 3.25Š| ||
| 194 | A | 35.6 | Very low | 34.6 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | cis | -142.7 | 150 | 19.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | K | 37.7 | Very low | 35.3 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 60% | 0.6 | 72% | 0.724 | S | S | * | * | 67.1 | 136.8 | 64.5 | -101.5 | -163.7 | 174.1 | -134.5 | 0 | 114.6 | E193 | E193-K195 WeakPolarHBondContact OE1-CG 3.25Š| |||
| 196 | E | 37.5 | Very low | 35.7 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | cis | -164.6 | 172.9 | 0.5 | -160.2 | 165.9 | -151.3 | 0 | 0 | 113.2 | ||||
| 197 | Q | 29.8 | Very low | 36 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | 88.1 | 147.9 | 156.8 | -58.8 | -176.6 | 10.8 | 0 | 0 | 120.6 | ||||
| 198 | R | 37.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | cis | -168.9 | 121.1 | -28.1 | 174.7 | 178.5 | 179.9 | -91.4 | -14 | 110.4 | E200 | R198-E200 IonicContact CZ-OE2 2.7Å; R198-E200 IonicContact NH1-OE2 3.79Å; R198-E200 PolarHBondContact NH1-OE2 2.88Å; R198-E200 IonicContact NH2-OE2 3.76Å; R198-E200 PolarHBondContact NH2-OE2 3.37Å | ||
| 199 | E | 41 | Very low | 36 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | 41 | -179.2 | 146.8 | -49.2 | 173.6 | 139.3 | 0 | 0 | 118.9 | ||||
| 200 | E | 37.3 | Very low | 36.7 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | cis | -140.6 | 155.2 | -1.2 | -51.3 | 167.8 | 21.9 | 0 | 0 | 105.3 | R198 | R198-E200 IonicContact CZ-OE2 2.7Å; R198-E200 IonicContact NH1-OE2 3.79Å; R198-E200 PolarHBondContact NH1-OE2 2.88Å; R198-E200 IonicContact NH2-OE2 3.76Å; R198-E200 PolarHBondContact NH2-OE2 3.37Å | ||
| 201 | T | 29 | Very low | 37 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | cis | -139.7 | -154.4 | 8.7 | 49.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 202 | S | 34.2 | Very low | 37.9 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | cis | -162.3 | -178.6 | -1.5 | -154.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | S | 39.2 | Very low | 38 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | -130.5 | 177.4 | 167.6 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 204 | P | 52.8 | Low | 38.5 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | -144.1 | 149.7 | 82.7 | 38.3 | -22.1 | 0 | 0 | 0 | 116.9 | |||||
| 205 | E | 39.7 | Very low | 39 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | 20.2 | 144.8 | 125.2 | -47.8 | -56.3 | 78 | 0 | 0 | 119.8 | |||||
| 206 | L | 39.2 | Very low | 39.1 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | cis | -168.4 | 154.7 | -5.8 | -113.1 | 173.4 | 0 | 0 | 0 | 108.1 | ||||
| 207 | S | 37.1 | Very low | 39.3 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -160.7 | 147.6 | 147.8 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 208 | S | 36.8 | Very low | 39.9 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -108.5 | 155.3 | -169.6 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 209 | G | 31.9 | Very low | 39.9 | Very low | 75 Ų | 75 | 129 Ų | 129 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -175.5 | 52.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 210 | N | 40.9 | Very low | 40.3 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -62.9 | 139.3 | 172 | -81.1 | 22.4 | 0 | 0 | 0 | 111.6 | ||||
| 211 | N | 38.1 | Very low | 40.6 | Very low | 167 Ų | 167 | 125.8 Ų | 125.8 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | -158.2 | 94 | 153.4 | -106.7 | -34.3 | 0 | 0 | 0 | 109.2 | ||||
| 212 | E | 49.5 | Very low | 41.7 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -102.7 | 116.4 | 168.6 | -66.6 | -175.3 | 98.1 | 0 | 0 | 109.1 | ||||
| 213 | E | 38.5 | Very low | 42.2 | Very low | 159 Ų | 159 | 121 Ų | 121 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -163.8 | 161.2 | 142.4 | 59.4 | 175 | 116.9 | 0 | 0 | 115.7 | ||||
| 214 | K | 46.2 | Very low | 43.1 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 63.9 | 80.9 | 165.6 | -97.8 | 60.7 | 161.6 | -150.3 | 0 | 118.6 | S216 | K214-S216 PolarHBondContact O-N 2.97Š| ||
| 215 | S | 44.3 | Very low | 43.6 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -42.7 | 125.4 | 130.7 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 216 | S | 40.9 | Very low | 44.9 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -125.5 | 116 | 162.9 | 60.8 | 0 | 0 | 0 | 0 | 109.4 | K214 | K214-S216 PolarHBondContact O-N 2.97Š| ||
| 217 | S | 42 | Very low | 46.8 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 144.1 | -175.8 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 218 | G | 42.3 | Very low | 49 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 69.4 | 90.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 219 | S | 38 | Very low | 51.4 | Low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -138 | 102.5 | 143.4 | -167.3 | 0 | 0 | 0 | 0 | 110.4 | S221 | S219-S221 PolarHBondContact O-N 3.39Š| ||
| 220 | S | 48.1 | Very low | 54.2 | Low | 130 Ų | 130 | 148.2 Ų | 148.2 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -76 | 48 | 179.4 | 43.9 | 0 | 0 | 0 | 0 | 112.3 | S222 | S220-S222 PolarHBondContact O-N 3.26Š| ||
| 221 | S | 44.8 | Very low | 56.6 | Low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -57 | 127.1 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | S219 G223 | S219-S221 PolarHBondContact O-N 3.39Å; S221-G223 PolarHBondContact O-N 3.11Å | ||
| 222 | S | 50.7 | Low | 59.4 | Low | 80 Ų | 80 | 144.3 Ų | 144.3 | 56% | 0.559 | 79% | 0.79 | S | S | * | * | trans | -75.6 | 74.4 | -179.7 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | S220 Q224 | S220-S222 PolarHBondContact O-N 3.26Å; S222-Q224 PolarHBondContact O-N 3.38Å | ||
| 223 | G | 45.4 | Very low | 61.7 | Low | 55 Ų | 55 | 139.3 Ų | 139.3 | 57% | 0.567 | 76% | 0.764 | S | S | * | * | trans | -60.5 | 97.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S221 R225 | S221-G223 PolarHBondContact O-N 3.11Å; G223-R225 PolarHBondContact O-N 2.73Å | ||
| 224 | Q | 57.7 | Low | 64.5 | Low | 178 Ų | 178 | 134.8 Ų | 134.8 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | trans | -58.1 | 106.9 | 157.4 | -74.6 | -160 | -3.5 | 0 | 0 | 107.5 | S222 T226 | S222-Q224 PolarHBondContact O-N 3.38Å; Q224-T226 VanDerWaalsContact C-N 3.29Å; Q224-T226 PolarHBondContact O-N 3.21Å | ||
| 225 | R | 62.6 | Low | 67 | Low | 241 Ų | 241 | 135.7 Ų | 135.7 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -68.7 | 87.9 | -176.4 | -56.1 | -179.5 | 82.4 | -179.2 | 9 | 108.5 | G223 R227 | G223-R225 PolarHBondContact O-N 2.73Å; R225-R227 PolarHBondContact O-N 3.46Å | ||
| 226 | T | 67.6 | Low | 69.6 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -51.3 | 107.4 | -174.6 | 27.3 | 0 | 0 | 0 | 0 | 109.9 | Q224 K228 | Q224-T226 VanDerWaalsContact C-N 3.29Å; Q224-T226 PolarHBondContact O-N 3.21Å; T226-K228 PolarHBondContact O-N 3.36Å | ||
| 227 | R | 79.6 | Confident | 72.3 | Confident | 211 Ų | 211 | 130.6 Ų | 130.6 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | trans | -64.6 | 102.6 | -167.5 | -171.6 | -175.2 | -168.6 | -177.5 | 8.7 | 109.4 | R225 K229 | R225-R227 PolarHBondContact O-N 3.46Å; R227-K229 PolarHBondContact O-N 2.87Å; R227-K229 VanDerWaalsContact O-N 3.11Å | ||
| 228 | K | 83.4 | Confident | 75 | Confident | 202 Ų | 202 | 127.4 Ų | 127.4 | 88% | 0.878 | 67% | 0.673 | S | S | * | * | trans | -45.4 | 118.2 | -175.8 | -156.3 | 155.4 | -174.2 | 166.8 | 0 | 109.8 | T226 R230 | T226-K228 PolarHBondContact O-N 3.36Å; K228-R230 PolarHBondContact O-N 3.31Å | ||
| 229 | K | 86.6 | Confident | 77.7 | Confident | 201 Ų | 201 | 130 Ų | 130 | 87% | 0.874 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55 | 137.7 | -170.9 | -66.3 | -82.7 | -170.9 | 170.4 | 0 | 109.5 | R227 C231 | R227-K229 PolarHBondContact O-N 2.87Å; R227-K229 VanDerWaalsContact O-N 3.11Å; K229-C231 PolarHBondContact O-N 3.23Å |
| 230 | R | 91.4 | Very high | 80.5 | Confident | 223 Ų | 223 | 125.4 Ų | 125.4 | 84% | 0.842 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.5 | 178.6 | -75.3 | 179.2 | 167.7 | 176.7 | -5.2 | 109.5 | K228 | K228-R230 PolarHBondContact O-N 3.31Š|
| 231 | C | 91.7 | Very high | 82.9 | Confident | 113 Ų | 113 | 119.2 Ų | 119.2 | 76% | 0.764 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 132.9 | 164.5 | -163.4 | 0 | 0 | 0 | 0 | 109.2 | K229 | K229-C231 PolarHBondContact O-N 3.23Š|
| 232 | P | 95.5 | Very high | 85.5 | Confident | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -70 | 156.3 | 171.4 | 30.6 | -35.1 | 0 | 0 | 0 | 111.2 | ||
| 233 | Y | 97.8 | Very high | 87.7 | Confident | 70 Ų | 70 | 120 Ų | 120 | 28% | 0.275 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 142.9 | 172.5 | -60.1 | -51.6 | 0 | 0 | 0 | 111 | L265 Q269 W273 | Y233-L265 HydrophobicContact CD1-CD1 4.24Å; Y233-L265 HydrophobicContact CD1-CD2 3.84Å; Y233-L265 HydrophobicContact CE1-CD1 4.15Å; Y233-L265 HydrophobicContact CE1-CD2 3.64Å; Y233-Q269 WeakPolarHBondContact OH-CB 3.38Å; Y233-W273 AromaticContact CD2-CD1 3.85Å; Y233-W273 AromaticContact CE2-CD1 3.75Å |
| 234 | S | 98.4 | Very high | 90.3 | Very high | 65 Ų | 65 | 119.2 Ų | 119.2 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 151.8 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | Y236 Q237 I238 | S234-Y236 PolarHBondContact O-N 3.1Å; S234-Y236 VanDerWaalsContact O-N 3.15Å; S234-Y236 PolarHBondContact OG-N 3.33Å; S234-Q237 PolarHBondContact O-N 3.32Å; S234-I238 WeakPolarHBondContact O-CG1 3.23Å; S234-I238 PolarHBondContact O-N 2.88Å |
| 235 | K | 98.1 | Very high | 92.2 | Very high | 182 Ų | 182 | 111 Ų | 111 | 79% | 0.791 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52.3 | -34.6 | 172.7 | -65.3 | -176.2 | -179.5 | 179.9 | 0 | 112.3 | R239 | K235-R239 PolarHBondContact O-N 2.74Å |
| 236 | Y | 98.2 | Very high | 93.8 | Very high | 102 Ų | 102 | 108 Ų | 108 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -57.1 | 173.2 | 175.2 | -108.5 | 0 | 0 | 0 | 111 | S234 I238 R239 E240 L263 | S234-Y236 PolarHBondContact O-N 3.1Å; S234-Y236 VanDerWaalsContact O-N 3.15Å; S234-Y236 PolarHBondContact OG-N 3.33Å; Y236-I238 VanDerWaalsContact C-N 3.26Å; Y236-I238 PolarHBondContact O-N 3.01Å; Y236-R239 PolarHBondContact O-N 2.76Å; Y236-E240 HydrophobicContact CD1-CG 4.4Å; Y236-E240 HydrophobicContact CD2-CG 4.03Å; Y236-E240 HydrophobicContact CE1-CG 4.01Å; Y236-E240 VanDerWaalsContact CE2-CD 3.49Å; Y236-E240 HydrophobicContact CE2-CG 3.58Å; Y236-E240 WeakPolarHBondContact CE2-OE1 3.08Å; Y236-E240 HydrophobicContact CG-CG 4.41Å; Y236-E240 WeakPolarHBondContact O-CG 3.43Å; Y236-E240 PolarHBondContact O-N 2.66Å; Y236-E240 VanDerWaalsContact O-N 3.09Å; Y236-L263 HydrophobicContact CD1-CD2 4.1Å; Y236-L263 HydrophobicContact CE1-CD2 3.62Å |
| 237 | Q | 98.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 108.6 Ų | 108.6 | 16% | 0.159 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -52.9 | -43.1 | -180 | -65.2 | 172.7 | -37.7 | 0 | 0 | 112.3 | S234 L241 L263 | S234-Q237 PolarHBondContact O-N 3.32Å; Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 VanDerWaalsContact O-CD1 3.25Å; Q237-L241 WeakPolarHBondContact O-CD1 3.45Å; Q237-L241 WeakPolarHBondContact O-CG 3.35Å; Q237-L241 PolarHBondContact O-N 2.7Å; Q237-L241 VanDerWaalsContact O-N 3.15Å; Q237-L263 HydrophobicContact CG-CB 4.23Å; Q237-L263 HydrophobicContact CG-CD2 4.43Å; Q237-L263 PolarHBondContact NE2-O 2.81Å |
| 238 | I | 98.3 | Very high | 96 | Very high | 58 Ų | 58 | 101 Ų | 101 | 30% | 0.297 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 177.1 | -64.6 | 167.2 | 0 | 0 | 0 | 110.9 | S234 Y236 E240 L241 E242 | S234-I238 WeakPolarHBondContact O-CG1 3.23Å; S234-I238 PolarHBondContact O-N 2.88Å; Y236-I238 VanDerWaalsContact C-N 3.26Å; Y236-I238 PolarHBondContact O-N 3.01Å; I238-E240 PolarHBondContact O-N 3.15Å; I238-L241 PolarHBondContact O-N 3.38Å; I238-E242 HydrophobicContact CG2-CG 4.27Å; I238-E242 WeakPolarHBondContact O-CB 3.48Å; I238-E242 WeakPolarHBondContact O-CG 3.42Å; I238-E242 PolarHBondContact O-N 2.94Å |
| 239 | R | 98.5 | Very high | 96.7 | Very high | 137 Ų | 137 | 94.1 Ų | 94.1 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | -178.6 | -166.7 | -162.8 | -56.1 | 109.2 | -5.4 | 112.7 | K235 Y236 E242 R243 | K235-R239 PolarHBondContact O-N 2.74Å; Y236-R239 PolarHBondContact O-N 2.76Å; R239-E242 PolarHBondContact O-N 2.98Å; R239-R243 PolarHBondContact O-N 3.41Å |
| 240 | E | 98.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 91.8 Ų | 91.8 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 179.8 | -54.7 | -51.5 | 110 | 0 | 0 | 111.5 | Y236 I238 R243 E244 M262 L263 | Y236-E240 HydrophobicContact CD1-CG 4.4Å; Y236-E240 HydrophobicContact CD2-CG 4.03Å; Y236-E240 HydrophobicContact CE1-CG 4.01Å; Y236-E240 VanDerWaalsContact CE2-CD 3.49Å; Y236-E240 HydrophobicContact CE2-CG 3.58Å; Y236-E240 WeakPolarHBondContact CE2-OE1 3.08Å; Y236-E240 HydrophobicContact CG-CG 4.41Å; Y236-E240 WeakPolarHBondContact O-CG 3.43Å; Y236-E240 PolarHBondContact O-N 2.66Å; Y236-E240 VanDerWaalsContact O-N 3.09Å; I238-E240 PolarHBondContact O-N 3.15Å; E240-R243 PolarHBondContact O-N 3.11Å; E240-R243 IonicContact OE1-CZ 3.8Å; E240-R243 IonicContact OE1-NH1 3.9Å; E240-R243 IonicContact OE1-NH2 2.91Å; E240-R243 PolarHBondContact OE1-NH2 3.33Å; E240-R243 IonicContact OE2-CZ 3.2Å; E240-R243 IonicContact OE2-NH1 2.68Å; E240-R243 PolarHBondContact OE2-NH1 3.33Å; E240-R243 IonicContact OE2-NH2 2.81Å; E240-R243 PolarHBondContact OE2-NH2 3.06Å; E240-E244 PolarHBondContact O-N 3.42Å; E240-E244 VanDerWaalsContact O-N 3.15Å; E240-M262 HydrophobicContact CB-CE 3.97Å; E240-M262 HydrophobicContact CG-CE 3.97Å; E240-L263 HydrophobicContact CB-CD1 4.17Å; E240-L263 HydrophobicContact CB-CD2 3.78Å; E240-L263 HydrophobicContact CG-CD2 3.73Å |
| 241 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.3 | -70.3 | 163.8 | 0 | 0 | 0 | 112 | Q237 I238 F245 L259 L263 L265 V270 W273 F274 | Q237-L241 WeakPolarHBondContact O-CB 3.26Å; Q237-L241 VanDerWaalsContact O-CD1 3.25Å; Q237-L241 WeakPolarHBondContact O-CD1 3.45Å; Q237-L241 WeakPolarHBondContact O-CG 3.35Å; Q237-L241 PolarHBondContact O-N 2.7Å; Q237-L241 VanDerWaalsContact O-N 3.15Å; I238-L241 PolarHBondContact O-N 3.38Å; L241-F245 VanDerWaalsContact O-CB 3.26Å; L241-F245 WeakPolarHBondContact O-CB 3.5Å; L241-F245 PolarHBondContact O-N 3.21Å; L241-L259 HydrophobicContact CD2-CD1 4.01Å; L241-L263 HydrophobicContact CD1-CD1 4.16Å; L241-L263 HydrophobicContact CD2-CD1 3.98Å; L241-L263 HydrophobicContact CG-CD1 3.66Å; L241-L265 HydrophobicContact CD1-CD1 4.14Å; L241-V270 HydrophobicContact CD2-CG1 3.88Å; L241-W273 HydrophobicContact CB-CD2 3.84Å; L241-W273 HydrophobicContact CB-CE3 3.84Å; L241-W273 HydrophobicContact CB-CH2 3.72Å; L241-W273 HydrophobicContact CB-CZ2 3.7Å; L241-W273 HydrophobicContact CB-CZ3 3.79Å; L241-W273 HydrophobicContact CD1-CB 4.43Å; L241-W273 HydrophobicContact CD1-CD2 3.9Å; L241-W273 HydrophobicContact CD1-CG 3.79Å; L241-W273 HydrophobicContact CD2-CD2 4.34Å; L241-W273 HydrophobicContact CD2-CE3 4.24Å; L241-W273 HydrophobicContact CG-CD2 4.24Å; L241-W273 HydrophobicContact CG-CE3 4.43Å; L241-W273 WeakPolarHBondContact O-CH2 3.46Å; L241-W273 WeakPolarHBondContact O-CZ3 3.22Å; L241-F274 HydrophobicContact CD2-CE2 3.98Å |
| 242 | E | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 80.8 Ų | 80.8 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.7 | -34 | 176.5 | -72.2 | -178.4 | 149.9 | 0 | 0 | 112.7 | I238 R239 F245 F246 W273 | I238-E242 HydrophobicContact CG2-CG 4.27Å; I238-E242 WeakPolarHBondContact O-CB 3.48Å; I238-E242 WeakPolarHBondContact O-CG 3.42Å; I238-E242 PolarHBondContact O-N 2.94Å; R239-E242 PolarHBondContact O-N 2.98Å; E242-F245 PolarHBondContact O-N 2.94Å; E242-F246 PolarHBondContact O-N 2.8Å; E242-F246 VanDerWaalsContact O-N 3.08Å; E242-W273 HydrophobicContact CB-CH2 4.46Å; E242-W273 HydrophobicContact CG-CH2 3.67Å; E242-W273 HydrophobicContact CG-CZ2 3.62Å |
| 243 | R | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 83.2 Ų | 83.2 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -49.6 | 173.6 | -163.1 | -156.6 | -58.3 | 103.7 | 0.9 | 111.9 | R239 E240 F245 F246 F247 | R239-R243 PolarHBondContact O-N 3.41Å; E240-R243 PolarHBondContact O-N 3.11Å; E240-R243 IonicContact OE1-CZ 3.8Å; E240-R243 IonicContact OE1-NH1 3.9Å; E240-R243 IonicContact OE1-NH2 2.91Å; E240-R243 PolarHBondContact OE1-NH2 3.33Å; E240-R243 IonicContact OE2-CZ 3.2Å; E240-R243 IonicContact OE2-NH1 2.68Å; E240-R243 PolarHBondContact OE2-NH1 3.33Å; E240-R243 IonicContact OE2-NH2 2.81Å; E240-R243 PolarHBondContact OE2-NH2 3.06Å; R243-F245 VanDerWaalsContact C-N 3.27Å; R243-F245 PolarHBondContact O-N 3.32Å; R243-F246 WeakPolarHBondContact O-CB 3.47Å; R243-F246 PolarHBondContact O-N 2.93Å; R243-F246 VanDerWaalsContact O-N 3.17Å; R243-F247 HydrophobicContact CG-CD2 4.38Å; R243-F247 HydrophobicContact CG-CE2 3.82Å; R243-F247 VanDerWaalsContact O-CD2 3.3Å; R243-F247 WeakPolarHBondContact O-CD2 3.45Å; R243-F247 PolarHBondContact O-N 3.18Å |
| 244 | E | 98.2 | Very high | 98 | Very high | 37 Ų | 37 | 86.9 Ų | 86.9 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.9 | -28.2 | 177.5 | -75.6 | -82 | -172 | 0 | 0 | 112 | E240 F246 F247 S248 K255 L259 F274 | E240-E244 PolarHBondContact O-N 3.42Å; E240-E244 VanDerWaalsContact O-N 3.15Å; E244-F246 VanDerWaalsContact C-N 3.35Å; E244-F247 PolarHBondContact O-N 3.47Å; E244-S248 PolarHBondContact O-N 3.44Å; E244-K255 IonicContact OE1-NZ 2.66Å; E244-K255 PolarHBondContact OE1-NZ 2.9Å; E244-L259 HydrophobicContact CB-CD1 3.89Å; E244-L259 HydrophobicContact CG-CD1 3.95Å; E244-L259 HydrophobicContact CG-CD2 4.12Å; E244-L259 HydrophobicContact CG-CG 4.35Å; E244-F274 HydrophobicContact CB-CZ 4.37Å |
| 245 | F | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 87.2 Ų | 87.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 170.8 | -171.7 | -90.9 | 0 | 0 | 0 | 113.4 | L241 E242 R243 S248 V249 W273 F274 R277 R278 E281 | L241-F245 VanDerWaalsContact O-CB 3.26Å; L241-F245 WeakPolarHBondContact O-CB 3.5Å; L241-F245 PolarHBondContact O-N 3.21Å; E242-F245 PolarHBondContact O-N 2.94Å; R243-F245 VanDerWaalsContact C-N 3.27Å; R243-F245 PolarHBondContact O-N 3.32Å; F245-S248 CarbonylContact O-C 3.19Å; F245-V249 HydrophobicContact CE1-CG2 4.21Å; F245-V249 HydrophobicContact CE2-CB 4.34Å; F245-V249 HydrophobicContact CE2-CG1 4.07Å; F245-V249 HydrophobicContact CZ-CB 4.21Å; F245-V249 HydrophobicContact CZ-CG1 3.85Å; F245-V249 HydrophobicContact CZ-CG2 4.07Å; F245-V249 PolarHBondContact O-N 3.33Å; F245-W273 HydrophobicContact CB-CH2 4.18Å; F245-W273 HydrophobicContact CB-CZ3 4Å; F245-W273 HydrophobicContact CD2-CZ3 4.17Å; F245-W273 HydrophobicContact CG-CZ3 4.32Å; F245-F274 HydrophobicContact CB-CE1 4.11Å; F245-F274 HydrophobicContact CB-CZ 4.34Å; F245-F274 AromaticContact CD2-CD1 3.75Å; F245-F274 HydrophobicContact CD2-CD1 3.75Å; F245-F274 AromaticContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CE2-CD1 4.37Å; F245-F274 HydrophobicContact CG-CE1 4.41Å; F245-R277 HydrophobicContact CB-CG 4.49Å; F245-R277 HydrophobicContact CD1-CG 3.82Å; F245-R277 HydrophobicContact CD2-CB 4.14Å; F245-R277 HydrophobicContact CD2-CG 3.5Å; F245-R277 HydrophobicContact CE1-CG 3.89Å; F245-R277 VanDerWaalsContact CE1-CZ 3.42Å; F245-R277 HydrophobicContact CE2-CB 4.08Å; F245-R277 HydrophobicContact CE2-CG 3.57Å; F245-R277 HydrophobicContact CG-CG 3.64Å; F245-R277 HydrophobicContact CZ-CG 3.76Å; F245-R278 HydrophobicContact CE2-CG 3.71Å; F245-R278 HydrophobicContact CZ-CG 3.95Å; F245-E281 WeakPolarHBondContact CE1-OE1 3.34Å; F245-E281 VanDerWaalsContact CE1-OE2 3.28Å; F245-E281 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E281 VanDerWaalsContact CZ-OE2 3.27Å; F245-E281 WeakPolarHBondContact CZ-OE2 3.42Å |
| 246 | F | 97.3 | Very high | 98 | Very high | 179 Ų | 179 | 80.5 Ų | 80.5 | 79% | 0.785 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 174 | -179 | -92.6 | 0 | 0 | 0 | 111.8 | E242 R243 E244 | E242-F246 PolarHBondContact O-N 2.8Å; E242-F246 VanDerWaalsContact O-N 3.08Å; R243-F246 WeakPolarHBondContact O-CB 3.47Å; R243-F246 PolarHBondContact O-N 2.93Å; R243-F246 VanDerWaalsContact O-N 3.17Å; E244-F246 VanDerWaalsContact C-N 3.35Å |
| 247 | F | 97.1 | Very high | 98 | Very high | 145 Ų | 145 | 78.4 Ų | 78.4 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.3 | -37.7 | 174 | -67 | -56.8 | 0 | 0 | 0 | 113.2 | R243 E244 | R243-F247 HydrophobicContact CG-CD2 4.38Å; R243-F247 HydrophobicContact CG-CE2 3.82Å; R243-F247 VanDerWaalsContact O-CD2 3.3Å; R243-F247 WeakPolarHBondContact O-CD2 3.45Å; R243-F247 PolarHBondContact O-N 3.18Å; E244-F247 PolarHBondContact O-N 3.47Å |
| 248 | S | 96.6 | Very high | 98 | Very high | 53 Ų | 53 | 81.4 Ų | 81.4 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | trans | -150.5 | 121.7 | 169.9 | -179 | 0 | 0 | 0 | 0 | 112.6 | E244 F245 Y250 F274 | E244-S248 PolarHBondContact O-N 3.44Å; F245-S248 CarbonylContact O-C 3.19Å; S248-Y250 PolarHBondContact O-N 3.39Å; S248-Y250 PolarHBondContact OG-N 2.82Å; S248-Y250 VanDerWaalsContact OG-N 3.11Å; S248-Y250 PolarHBondContact OG-O 3.24Å; S248-F274 WeakPolarHBondContact O-CE1 3.43Å | ||
| 249 | V | 97.4 | Very high | 98 | Very high | 56 Ų | 56 | 78.7 Ų | 78.7 | 34% | 0.339 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -56.8 | -20.2 | 169.9 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | F245 R278 | F245-V249 HydrophobicContact CE1-CG2 4.21Å; F245-V249 HydrophobicContact CE2-CB 4.34Å; F245-V249 HydrophobicContact CE2-CG1 4.07Å; F245-V249 HydrophobicContact CZ-CB 4.21Å; F245-V249 HydrophobicContact CZ-CG1 3.85Å; F245-V249 HydrophobicContact CZ-CG2 4.07Å; F245-V249 PolarHBondContact O-N 3.33Å; V249-R278 HydrophobicContact CG1-CG 3.76Å; V249-R278 WeakPolarHBondContact O-CD 3.21Å |
| 250 | Y | 97.9 | Very high | 98 | Very high | 153 Ų | 153 | 73.3 Ų | 73.3 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -126.3 | 105.3 | -179.2 | -69.9 | -95 | 0 | 0 | 0 | 112 | S248 N252 R278 | S248-Y250 PolarHBondContact O-N 3.39Å; S248-Y250 PolarHBondContact OG-N 2.82Å; S248-Y250 VanDerWaalsContact OG-N 3.11Å; S248-Y250 PolarHBondContact OG-O 3.24Å; Y250-N252 PolarHBondContact O-N 2.86Å; Y250-R278 PolarHBondContact OH-NH1 2.73Å |
| 251 | I | 97.8 | Very high | 98 | Very high | 21 Ų | 21 | 81.5 Ų | 81.5 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | trans | -77.7 | 121.4 | 179.9 | -163.8 | 168.4 | 0 | 0 | 0 | 113 | K255 R256 L259 V270 F274 | I251-K255 HydrophobicContact CD1-CB 4.08Å; I251-K255 HydrophobicContact CG1-CB 3.73Å; I251-R256 HydrophobicContact CD1-CB 4.14Å; I251-R256 HydrophobicContact CD1-CG 4.42Å; I251-R256 HydrophobicContact CG1-CB 4.2Å; I251-R256 HydrophobicContact CG2-CB 4.41Å; I251-R256 HydrophobicContact CG2-CG 4.28Å; I251-R256 PolarHBondContact O-NH2 2.86Å; I251-L259 HydrophobicContact CD1-CD1 3.57Å; I251-L259 HydrophobicContact CD1-CG 4.35Å; I251-V270 HydrophobicContact CD1-CG1 4.09Å; I251-F274 HydrophobicContact CB-CD1 3.89Å; I251-F274 HydrophobicContact CB-CD2 4.22Å; I251-F274 HydrophobicContact CB-CE1 3.75Å; I251-F274 HydrophobicContact CB-CE2 4.09Å; I251-F274 HydrophobicContact CB-CG 4.14Å; I251-F274 HydrophobicContact CB-CZ 3.86Å; I251-F274 HydrophobicContact CD1-CD2 4.38Å; I251-F274 HydrophobicContact CD1-CE2 3.72Å; I251-F274 HydrophobicContact CD1-CZ 3.86Å; I251-F274 HydrophobicContact CG1-CZ 4.36Å; I251-F274 HydrophobicContact CG2-CB 4.15Å; I251-F274 HydrophobicContact CG2-CD1 3.85Å; I251-F274 HydrophobicContact CG2-CD2 3.7Å; I251-F274 HydrophobicContact CG2-CE1 4.17Å; I251-F274 HydrophobicContact CG2-CE2 4.05Å; I251-F274 HydrophobicContact CG2-CG 3.61Å; I251-F274 HydrophobicContact CG2-CZ 4.28Å | ||
| 252 | N | 98 | Very high | 98 | Very high | 84 Ų | 84 | 85.3 Ų | 85.3 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | trans | -65.9 | 177.8 | 175.7 | 79.2 | 15.6 | 0 | 0 | 0 | 111.8 | Y250 E254 K255 R256 | Y250-N252 PolarHBondContact O-N 2.86Å; N252-E254 PolarHBondContact OD1-N 3.14Å; N252-E254 VanDerWaalsContact OD1-N 3.15Å; N252-K255 WeakPolarHBondContact OD1-CB 3.36Å; N252-K255 PolarHBondContact OD1-N 2.88Å; N252-R256 WeakPolarHBondContact O-CB 3.42Å; N252-R256 PolarHBondContact O-N 3.45Å; N252-R256 PolarHBondContact O-NH2 3.26Å | ||
| 253 | K | 98 | Very high | 98 | Very high | 161 Ų | 161 | 81.5 Ų | 81.5 | 70% | 0.7 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.3 | -48.8 | -178.6 | -174.9 | -177.1 | 177.1 | -172.8 | 0 | 111.9 | R256 L257 | K253-R256 WeakPolarHBondContact O-CB 3.32Å; K253-R256 PolarHBondContact O-N 3.04Å; K253-L257 HydrophobicContact CG-CD1 4.19Å; K253-L257 WeakPolarHBondContact O-CD1 3.48Å; K253-L257 PolarHBondContact O-N 3.13Å; K253-L257 VanDerWaalsContact O-N 3.15Å |
| 254 | E | 98.1 | Very high | 98 | Very high | 147 Ų | 147 | 83.4 Ų | 83.4 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.3 | -53.5 | -174.2 | -179.5 | -178.4 | -154.7 | 0 | 0 | 112.7 | N252 R256 L257 Q258 | N252-E254 PolarHBondContact OD1-N 3.14Å; N252-E254 VanDerWaalsContact OD1-N 3.15Å; E254-R256 PolarHBondContact O-N 2.94Å; E254-L257 WeakPolarHBondContact O-CA 3.2Å; E254-L257 WeakPolarHBondContact O-CB 2.81Å; E254-L257 PolarHBondContact O-N 3.44Å; E254-Q258 PolarHBondContact O-N 3.48Å |
| 255 | K | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 82.2 Ų | 82.2 | 31% | 0.309 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.9 | -32.4 | 176.3 | -74.1 | -68.2 | -172.8 | 171.7 | 0 | 112.3 | E244 I251 N252 Q258 L259 | E244-K255 IonicContact OE1-NZ 2.66Å; E244-K255 PolarHBondContact OE1-NZ 2.9Å; I251-K255 HydrophobicContact CD1-CB 4.08Å; I251-K255 HydrophobicContact CG1-CB 3.73Å; N252-K255 WeakPolarHBondContact OD1-CB 3.36Å; N252-K255 PolarHBondContact OD1-N 2.88Å; K255-Q258 VanDerWaalsContact CD-OE1 3.32Å; K255-Q258 PolarHBondContact O-N 3.34Å; K255-L259 PolarHBondContact O-N 3.12Å |
| 256 | R | 98.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 85.6 Ų | 85.6 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67 | -39.8 | 174.4 | -155.6 | 178.6 | -39.5 | 113.4 | 10.3 | 112.3 | I251 N252 K253 E254 S260 D267 V270 | I251-R256 HydrophobicContact CD1-CB 4.14Å; I251-R256 HydrophobicContact CD1-CG 4.42Å; I251-R256 HydrophobicContact CG1-CB 4.2Å; I251-R256 HydrophobicContact CG2-CB 4.41Å; I251-R256 HydrophobicContact CG2-CG 4.28Å; I251-R256 PolarHBondContact O-NH2 2.86Å; N252-R256 WeakPolarHBondContact O-CB 3.42Å; N252-R256 PolarHBondContact O-N 3.45Å; N252-R256 PolarHBondContact O-NH2 3.26Å; K253-R256 WeakPolarHBondContact O-CB 3.32Å; K253-R256 PolarHBondContact O-N 3.04Å; E254-R256 PolarHBondContact O-N 2.94Å; R256-S260 WeakPolarHBondContact O-CB 3.09Å; R256-S260 PolarHBondContact O-N 2.98Å; R256-D267 WeakPolarHBondContact CD-O 3.48Å; R256-D267 VanDerWaalsContact CD-OD2 3.28Å; R256-D267 WeakPolarHBondContact CD-OD2 3.19Å; R256-D267 WeakPolarHBondContact CG-OD2 3.48Å; R256-D267 IonicContact NH1-OD1 2.76Å; R256-D267 PolarHBondContact NH1-OD1 3.3Å; R256-D267 IonicContact NH1-OD2 2.74Å; R256-D267 PolarHBondContact NH1-OD2 3.05Å; R256-V270 HydrophobicContact CG-CB 3.76Å; R256-V270 HydrophobicContact CG-CG1 3.64Å |
| 257 | L | 98.5 | Very high | 98 | Very high | 59 Ų | 59 | 79.6 Ų | 79.6 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 171.6 | -88 | 77.3 | 0 | 0 | 0 | 112 | K253 E254 S260 R261 | K253-L257 HydrophobicContact CG-CD1 4.19Å; K253-L257 WeakPolarHBondContact O-CD1 3.48Å; K253-L257 PolarHBondContact O-N 3.13Å; K253-L257 VanDerWaalsContact O-N 3.15Å; E254-L257 WeakPolarHBondContact O-CA 3.2Å; E254-L257 WeakPolarHBondContact O-CB 2.81Å; E254-L257 PolarHBondContact O-N 3.44Å; L257-S260 PolarHBondContact O-N 3.45Å; L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 2.91Å; L257-R261 VanDerWaalsContact O-N 3.13Å |
| 258 | Q | 98.4 | Very high | 98 | Very high | 96 Ų | 96 | 81.3 Ų | 81.3 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -53.2 | 175 | -169.7 | 178 | 16.5 | 0 | 0 | 110.9 | E254 K255 S260 R261 M262 | E254-Q258 PolarHBondContact O-N 3.48Å; K255-Q258 VanDerWaalsContact CD-OE1 3.32Å; K255-Q258 PolarHBondContact O-N 3.34Å; Q258-S260 PolarHBondContact O-N 2.95Å; Q258-R261 PolarHBondContact O-N 3.46Å; Q258-M262 WeakPolarHBondContact O-CB 3.41Å; Q258-M262 PolarHBondContact O-N 2.91Å |
| 259 | L | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 176.7 | -72.9 | -175.1 | 0 | 0 | 0 | 113.2 | L241 E244 I251 K255 R261 M262 L263 V270 F274 | L241-L259 HydrophobicContact CD2-CD1 4.01Å; E244-L259 HydrophobicContact CB-CD1 3.89Å; E244-L259 HydrophobicContact CG-CD1 3.95Å; E244-L259 HydrophobicContact CG-CD2 4.12Å; E244-L259 HydrophobicContact CG-CG 4.35Å; I251-L259 HydrophobicContact CD1-CD1 3.57Å; I251-L259 HydrophobicContact CD1-CG 4.35Å; K255-L259 PolarHBondContact O-N 3.12Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.26Å; L259-M262 HydrophobicContact CD2-CE 3.75Å; L259-M262 PolarHBondContact O-N 3.21Å; L259-L263 HydrophobicContact CB-CD1 4.48Å; L259-L263 HydrophobicContact CD2-CD1 4.36Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.2Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 2.79Å; L259-V270 HydrophobicContact CB-CG1 4.37Å; L259-V270 HydrophobicContact CD1-CG1 4.41Å; L259-F274 HydrophobicContact CD1-CE2 4.29Å |
| 260 | S | 98.5 | Very high | 98.1 | Very high | 24 Ų | 24 | 79.3 Ų | 79.3 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55 | -48.4 | 176.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | R256 L257 Q258 N264 L265 D267 | R256-S260 WeakPolarHBondContact O-CB 3.09Å; R256-S260 PolarHBondContact O-N 2.98Å; L257-S260 PolarHBondContact O-N 3.45Å; Q258-S260 PolarHBondContact O-N 2.95Å; S260-N264 PolarHBondContact O-N 3.11Å; S260-L265 CarbonylContact C-O 3.32Å; S260-L265 WeakPolarHBondContact CA-O 3.47Å; S260-L265 VanDerWaalsContact CB-O 3.25Å; S260-L265 WeakPolarHBondContact CB-O 3.27Å; S260-L265 PolarHBondContact O-N 2.98Å; S260-L265 PolarHBondContact OG-O 2.81Å; S260-D267 PolarHBondContact OG-N 3.45Å |
| 261 | R | 98.4 | Very high | 98.1 | Very high | 184 Ų | 184 | 77 Ų | 77 | 69% | 0.694 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.8 | -54.4 | 176 | -66.8 | 166.5 | 179.8 | 150.3 | -3.9 | 111.7 | L257 Q258 L259 L263 N264 | L257-R261 WeakPolarHBondContact O-CG 3.35Å; L257-R261 PolarHBondContact O-N 2.91Å; L257-R261 VanDerWaalsContact O-N 3.13Å; Q258-R261 PolarHBondContact O-N 3.46Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.26Å; R261-L263 PolarHBondContact O-N 3.29Å; R261-L263 VanDerWaalsContact O-N 3.17Å; R261-N264 PolarHBondContact O-N 3.04Å |
| 262 | M | 98.1 | Very high | 98.1 | Very high | 81 Ų | 81 | 78.3 Ų | 78.3 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -29.9 | -174.5 | -167.5 | 178.7 | 84.8 | 0 | 0 | 113.6 | E240 Q258 L259 | E240-M262 HydrophobicContact CB-CE 3.97Å; E240-M262 HydrophobicContact CG-CE 3.97Å; Q258-M262 WeakPolarHBondContact O-CB 3.41Å; Q258-M262 PolarHBondContact O-N 2.91Å; L259-M262 HydrophobicContact CD2-CE 3.75Å; L259-M262 PolarHBondContact O-N 3.21Å |
| 263 | L | 97.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -1.7 | -176.6 | -59.6 | -174.4 | 0 | 0 | 0 | 114.5 | Y236 Q237 E240 L241 L259 R261 L265 | Y236-L263 HydrophobicContact CD1-CD2 4.1Å; Y236-L263 HydrophobicContact CE1-CD2 3.62Å; Q237-L263 HydrophobicContact CG-CB 4.23Å; Q237-L263 HydrophobicContact CG-CD2 4.43Å; Q237-L263 PolarHBondContact NE2-O 2.81Å; E240-L263 HydrophobicContact CB-CD1 4.17Å; E240-L263 HydrophobicContact CB-CD2 3.78Å; E240-L263 HydrophobicContact CG-CD2 3.73Å; L241-L263 HydrophobicContact CD1-CD1 4.16Å; L241-L263 HydrophobicContact CD2-CD1 3.98Å; L241-L263 HydrophobicContact CG-CD1 3.66Å; L259-L263 HydrophobicContact CB-CD1 4.48Å; L259-L263 HydrophobicContact CD2-CD1 4.36Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.2Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 2.79Å; R261-L263 PolarHBondContact O-N 3.29Å; R261-L263 VanDerWaalsContact O-N 3.17Å; L263-L265 VanDerWaalsContact C-N 3.28Å; L263-L265 HydrophobicContact CB-CB 4.42Å; L263-L265 HydrophobicContact CB-CD1 4Å; L263-L265 HydrophobicContact CB-CG 3.95Å; L263-L265 HydrophobicContact CD1-CD1 4.26Å; L263-L265 PolarHBondContact O-N 2.81Å |
| 264 | N | 98.1 | Very high | 98.2 | Very high | 148 Ų | 148 | 68.2 Ų | 68.2 | 79% | 0.791 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 46.9 | -169.7 | -64.2 | -72.3 | 0 | 0 | 0 | 112.2 | S260 R261 | S260-N264 PolarHBondContact O-N 3.11Å; R261-N264 PolarHBondContact O-N 3.04Å |
| 265 | L | 97.5 | Very high | 98.2 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | trans | -121.2 | 146.5 | 177.5 | -66.8 | -178.8 | 0 | 0 | 0 | 109.8 | Y233 L241 S260 L263 Q269 V270 | Y233-L265 HydrophobicContact CD1-CD1 4.24Å; Y233-L265 HydrophobicContact CD1-CD2 3.84Å; Y233-L265 HydrophobicContact CE1-CD1 4.15Å; Y233-L265 HydrophobicContact CE1-CD2 3.64Å; L241-L265 HydrophobicContact CD1-CD1 4.14Å; S260-L265 CarbonylContact C-O 3.32Å; S260-L265 WeakPolarHBondContact CA-O 3.47Å; S260-L265 VanDerWaalsContact CB-O 3.25Å; S260-L265 WeakPolarHBondContact CB-O 3.27Å; S260-L265 PolarHBondContact O-N 2.98Å; S260-L265 PolarHBondContact OG-O 2.81Å; L263-L265 VanDerWaalsContact C-N 3.28Å; L263-L265 HydrophobicContact CB-CB 4.42Å; L263-L265 HydrophobicContact CB-CD1 4Å; L263-L265 HydrophobicContact CB-CG 3.95Å; L263-L265 HydrophobicContact CD1-CD1 4.26Å; L263-L265 PolarHBondContact O-N 2.81Å; L265-Q269 HydrophobicContact CB-CB 4.31Å; L265-V270 HydrophobicContact CB-CG2 4.12Å | ||
| 266 | T | 98.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 66.7 Ų | 66.7 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | trans | -68 | 150.3 | 172.1 | 60 | 0 | 0 | 0 | 0 | 111.7 | R268 Q269 V270 | T266-R268 PolarHBondContact O-N 2.87Å; T266-R268 VanDerWaalsContact O-N 3.1Å; T266-Q269 WeakPolarHBondContact O-CA 3.47Å; T266-Q269 WeakPolarHBondContact O-CB 3.49Å; T266-Q269 PolarHBondContact O-N 3.45Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.47Å; T266-Q269 PolarHBondContact OG1-N 2.97Å; T266-Q269 PolarHBondContact OG1-OE1 3.15Å; T266-V270 PolarHBondContact O-N 2.9Å; T266-V270 VanDerWaalsContact O-N 3.11Å | ||
| 267 | D | 98.1 | Very high | 98.2 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -46.9 | -42.1 | 171.5 | 177.2 | -78.1 | 0 | 0 | 0 | 111.3 | R256 S260 Q269 V270 K271 | R256-D267 WeakPolarHBondContact CD-O 3.48Å; R256-D267 VanDerWaalsContact CD-OD2 3.28Å; R256-D267 WeakPolarHBondContact CD-OD2 3.19Å; R256-D267 WeakPolarHBondContact CG-OD2 3.48Å; R256-D267 IonicContact NH1-OD1 2.76Å; R256-D267 PolarHBondContact NH1-OD1 3.3Å; R256-D267 IonicContact NH1-OD2 2.74Å; R256-D267 PolarHBondContact NH1-OD2 3.05Å; S260-D267 PolarHBondContact OG-N 3.45Å; D267-Q269 PolarHBondContact O-N 3.42Å; D267-V270 PolarHBondContact O-N 3.4Å; D267-K271 WeakPolarHBondContact O-CB 3.43Å; D267-K271 PolarHBondContact O-N 3.46Å |
| 268 | R | 97.8 | Very high | 98.2 | Very high | 182 Ų | 182 | 68 Ų | 68 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | 177.2 | -170.7 | 175.1 | -177.4 | -82.5 | -1.3 | 113.1 | T266 I272 | T266-R268 PolarHBondContact O-N 2.87Å; T266-R268 VanDerWaalsContact O-N 3.1Å; R268-I272 HydrophobicContact CG-CD1 3.94Å; R268-I272 WeakPolarHBondContact O-CB 3.37Å; R268-I272 WeakPolarHBondContact O-CD1 3.43Å; R268-I272 VanDerWaalsContact O-CG1 3.22Å; R268-I272 WeakPolarHBondContact O-CG1 3.28Å; R268-I272 PolarHBondContact O-N 3.25Å |
| 269 | Q | 97.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 69 Ų | 69 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 174.1 | -80.4 | 162.9 | -70.3 | 0 | 0 | 111.6 | Y233 L265 T266 D267 I272 W273 | Y233-Q269 WeakPolarHBondContact OH-CB 3.38Å; L265-Q269 HydrophobicContact CB-CB 4.31Å; T266-Q269 WeakPolarHBondContact O-CA 3.47Å; T266-Q269 WeakPolarHBondContact O-CB 3.49Å; T266-Q269 PolarHBondContact O-N 3.45Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.47Å; T266-Q269 PolarHBondContact OG1-N 2.97Å; T266-Q269 PolarHBondContact OG1-OE1 3.15Å; D267-Q269 PolarHBondContact O-N 3.42Å; Q269-I272 PolarHBondContact O-N 3.49Å; Q269-W273 WeakPolarHBondContact O-CB 3.35Å; Q269-W273 PolarHBondContact O-N 3.05Å |
| 270 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.6 | -175 | 0 | 0 | 0 | 0 | 110.4 | L241 I251 R256 L259 L265 T266 D267 I272 W273 F274 | L241-V270 HydrophobicContact CD2-CG1 3.88Å; I251-V270 HydrophobicContact CD1-CG1 4.09Å; R256-V270 HydrophobicContact CG-CB 3.76Å; R256-V270 HydrophobicContact CG-CG1 3.64Å; L259-V270 HydrophobicContact CB-CG1 4.37Å; L259-V270 HydrophobicContact CD1-CG1 4.41Å; L265-V270 HydrophobicContact CB-CG2 4.12Å; T266-V270 PolarHBondContact O-N 2.9Å; T266-V270 VanDerWaalsContact O-N 3.11Å; D267-V270 PolarHBondContact O-N 3.4Å; V270-I272 PolarHBondContact O-N 3.39Å; V270-W273 PolarHBondContact O-N 3.49Å; V270-W273 VanDerWaalsContact O-N 3.17Å; V270-F274 HydrophobicContact CG1-CD2 3.96Å; V270-F274 HydrophobicContact CG1-CE2 4.04Å; V270-F274 WeakPolarHBondContact O-CD2 3.28Å; V270-F274 PolarHBondContact O-N 3.18Å |
| 271 | K | 98.1 | Very high | 98 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 45% | 0.452 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 176 | -172.3 | 176.1 | 179.1 | 178 | 0 | 112.1 | D267 Q275 | D267-K271 WeakPolarHBondContact O-CB 3.43Å; D267-K271 PolarHBondContact O-N 3.46Å; K271-Q275 WeakPolarHBondContact O-CG 3.48Å; K271-Q275 PolarHBondContact O-N 2.91Å; K271-Q275 VanDerWaalsContact O-N 3.12Å |
| 272 | I | 98.3 | Very high | 97.8 | Very high | 50 Ų | 50 | 75.3 Ų | 75.3 | 26% | 0.256 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 177.3 | -72.6 | 168.1 | 0 | 0 | 0 | 111.2 | R268 Q269 V270 Q275 N276 | R268-I272 HydrophobicContact CG-CD1 3.94Å; R268-I272 WeakPolarHBondContact O-CB 3.37Å; R268-I272 WeakPolarHBondContact O-CD1 3.43Å; R268-I272 VanDerWaalsContact O-CG1 3.22Å; R268-I272 WeakPolarHBondContact O-CG1 3.28Å; R268-I272 PolarHBondContact O-N 3.25Å; Q269-I272 PolarHBondContact O-N 3.49Å; V270-I272 PolarHBondContact O-N 3.39Å; I272-Q275 PolarHBondContact O-N 3.08Å; I272-N276 WeakPolarHBondContact O-CB 3.34Å; I272-N276 VanDerWaalsContact O-CG 3.23Å; I272-N276 PolarHBondContact O-N 3.28Å; I272-N276 PolarHBondContact O-ND2 3.26Å |
| 273 | W | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 77.3 Ų | 77.3 | 10% | 0.095 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.1 | -171.8 | 102.3 | 0 | 0 | 0 | 111.1 | Y233 L241 E242 F245 Q269 V270 Q275 N276 R277 | Y233-W273 AromaticContact CD2-CD1 3.85Å; Y233-W273 AromaticContact CE2-CD1 3.75Å; L241-W273 HydrophobicContact CB-CD2 3.84Å; L241-W273 HydrophobicContact CB-CE3 3.84Å; L241-W273 HydrophobicContact CB-CH2 3.72Å; L241-W273 HydrophobicContact CB-CZ2 3.7Å; L241-W273 HydrophobicContact CB-CZ3 3.79Å; L241-W273 HydrophobicContact CD1-CB 4.43Å; L241-W273 HydrophobicContact CD1-CD2 3.9Å; L241-W273 HydrophobicContact CD1-CG 3.79Å; L241-W273 HydrophobicContact CD2-CD2 4.34Å; L241-W273 HydrophobicContact CD2-CE3 4.24Å; L241-W273 HydrophobicContact CG-CD2 4.24Å; L241-W273 HydrophobicContact CG-CE3 4.43Å; L241-W273 WeakPolarHBondContact O-CH2 3.46Å; L241-W273 WeakPolarHBondContact O-CZ3 3.22Å; E242-W273 HydrophobicContact CB-CH2 4.46Å; E242-W273 HydrophobicContact CG-CH2 3.67Å; E242-W273 HydrophobicContact CG-CZ2 3.62Å; F245-W273 HydrophobicContact CB-CH2 4.18Å; F245-W273 HydrophobicContact CB-CZ3 4Å; F245-W273 HydrophobicContact CD2-CZ3 4.17Å; F245-W273 HydrophobicContact CG-CZ3 4.32Å; Q269-W273 WeakPolarHBondContact O-CB 3.35Å; Q269-W273 PolarHBondContact O-N 3.05Å; V270-W273 PolarHBondContact O-N 3.49Å; V270-W273 VanDerWaalsContact O-N 3.17Å; W273-Q275 VanDerWaalsContact C-N 3.3Å; W273-Q275 PolarHBondContact O-N 3.48Å; W273-N276 PolarHBondContact O-N 2.79Å; W273-N276 VanDerWaalsContact O-N 3.17Å; W273-R277 HydrophobicContact CD2-CB 4.38Å; W273-R277 HydrophobicContact CE3-CB 3.92Å; W273-R277 HydrophobicContact CE3-CG 4.45Å; W273-R277 HydrophobicContact CH2-CB 3.81Å; W273-R277 HydrophobicContact CH2-CG 3.51Å; W273-R277 HydrophobicContact CZ2-CB 4.28Å; W273-R277 HydrophobicContact CZ2-CG 4.22Å; W273-R277 HydrophobicContact CZ3-CB 3.62Å; W273-R277 HydrophobicContact CZ3-CG 3.66Å; W273-R277 WeakPolarHBondContact O-CB 3.47Å; W273-R277 PolarHBondContact O-N 3.31Å |
| 274 | F | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 82.3 Ų | 82.3 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.8 | -27.3 | 176.2 | -89.2 | -98.3 | 0 | 0 | 0 | 113.7 | L241 E244 F245 S248 I251 L259 V270 R278 | L241-F274 HydrophobicContact CD2-CE2 3.98Å; E244-F274 HydrophobicContact CB-CZ 4.37Å; F245-F274 HydrophobicContact CB-CE1 4.11Å; F245-F274 HydrophobicContact CB-CZ 4.34Å; F245-F274 AromaticContact CD2-CD1 3.75Å; F245-F274 HydrophobicContact CD2-CD1 3.75Å; F245-F274 AromaticContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CD2-CE1 3.72Å; F245-F274 HydrophobicContact CE2-CD1 4.37Å; F245-F274 HydrophobicContact CG-CE1 4.41Å; S248-F274 WeakPolarHBondContact O-CE1 3.43Å; I251-F274 HydrophobicContact CB-CD1 3.89Å; I251-F274 HydrophobicContact CB-CD2 4.22Å; I251-F274 HydrophobicContact CB-CE1 3.75Å; I251-F274 HydrophobicContact CB-CE2 4.09Å; I251-F274 HydrophobicContact CB-CG 4.14Å; I251-F274 HydrophobicContact CB-CZ 3.86Å; I251-F274 HydrophobicContact CD1-CD2 4.38Å; I251-F274 HydrophobicContact CD1-CE2 3.72Å; I251-F274 HydrophobicContact CD1-CZ 3.86Å; I251-F274 HydrophobicContact CG1-CZ 4.36Å; I251-F274 HydrophobicContact CG2-CB 4.15Å; I251-F274 HydrophobicContact CG2-CD1 3.85Å; I251-F274 HydrophobicContact CG2-CD2 3.7Å; I251-F274 HydrophobicContact CG2-CE1 4.17Å; I251-F274 HydrophobicContact CG2-CE2 4.05Å; I251-F274 HydrophobicContact CG2-CG 3.61Å; I251-F274 HydrophobicContact CG2-CZ 4.28Å; L259-F274 HydrophobicContact CD1-CE2 4.29Å; V270-F274 HydrophobicContact CG1-CD2 3.96Å; V270-F274 HydrophobicContact CG1-CE2 4.04Å; V270-F274 WeakPolarHBondContact O-CD2 3.28Å; V270-F274 PolarHBondContact O-N 3.18Å; F274-R278 WeakPolarHBondContact O-CG 3.21Å; F274-R278 PolarHBondContact O-N 2.86Å; F274-R278 PolarHBondContact O-NE 2.97Å |
| 275 | Q | 98.4 | Very high | 97 | Very high | 86 Ų | 86 | 80.5 Ų | 80.5 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.7 | -49.1 | 169.1 | -73.1 | 171 | -21.7 | 0 | 0 | 111.1 | K271 I272 W273 R277 R278 M279 | K271-Q275 WeakPolarHBondContact O-CG 3.48Å; K271-Q275 PolarHBondContact O-N 2.91Å; K271-Q275 VanDerWaalsContact O-N 3.12Å; I272-Q275 PolarHBondContact O-N 3.08Å; W273-Q275 VanDerWaalsContact C-N 3.3Å; W273-Q275 PolarHBondContact O-N 3.48Å; Q275-R277 PolarHBondContact O-N 3.43Å; Q275-R278 PolarHBondContact O-N 3.21Å; Q275-M279 WeakPolarHBondContact O-CG 3.37Å; Q275-M279 PolarHBondContact O-N 3.26Å; Q275-M279 VanDerWaalsContact O-N 3.13Å |
| 276 | N | 98.1 | Very high | 96.6 | Very high | 101 Ų | 101 | 87 Ų | 87 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 179.5 | -67.8 | -16 | 0 | 0 | 0 | 112.5 | I272 W273 M279 K280 | I272-N276 WeakPolarHBondContact O-CB 3.34Å; I272-N276 VanDerWaalsContact O-CG 3.23Å; I272-N276 PolarHBondContact O-N 3.28Å; I272-N276 PolarHBondContact O-ND2 3.26Å; W273-N276 PolarHBondContact O-N 2.79Å; W273-N276 VanDerWaalsContact O-N 3.17Å; N276-M279 PolarHBondContact O-N 3.33Å; N276-K280 WeakPolarHBondContact O-CB 3.31Å; N276-K280 PolarHBondContact O-N 2.81Å |
| 277 | R | 98.2 | Very high | 96 | Very high | 52 Ų | 52 | 86 Ų | 86 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | -179.6 | -179.7 | 63.4 | -171.6 | 69.2 | 7.5 | 112.2 | F245 W273 Q275 E281 | F245-R277 HydrophobicContact CB-CG 4.49Å; F245-R277 HydrophobicContact CD1-CG 3.82Å; F245-R277 HydrophobicContact CD2-CB 4.14Å; F245-R277 HydrophobicContact CD2-CG 3.5Å; F245-R277 HydrophobicContact CE1-CG 3.89Å; F245-R277 VanDerWaalsContact CE1-CZ 3.42Å; F245-R277 HydrophobicContact CE2-CB 4.08Å; F245-R277 HydrophobicContact CE2-CG 3.57Å; F245-R277 HydrophobicContact CG-CG 3.64Å; F245-R277 HydrophobicContact CZ-CG 3.76Å; W273-R277 HydrophobicContact CD2-CB 4.38Å; W273-R277 HydrophobicContact CE3-CB 3.92Å; W273-R277 HydrophobicContact CE3-CG 4.45Å; W273-R277 HydrophobicContact CH2-CB 3.81Å; W273-R277 HydrophobicContact CH2-CG 3.51Å; W273-R277 HydrophobicContact CZ2-CB 4.28Å; W273-R277 HydrophobicContact CZ2-CG 4.22Å; W273-R277 HydrophobicContact CZ3-CB 3.62Å; W273-R277 HydrophobicContact CZ3-CG 3.66Å; W273-R277 WeakPolarHBondContact O-CB 3.47Å; W273-R277 PolarHBondContact O-N 3.31Å; Q275-R277 PolarHBondContact O-N 3.43Å; R277-E281 IonicContact CZ-OE1 3.33Å; R277-E281 VanDerWaalsContact CZ-OE1 3.22Å; R277-E281 VanDerWaalsContact NH1-CD 3.33Å; R277-E281 IonicContact NH1-OE1 3.86Å; R277-E281 PolarHBondContact NH1-OE1 3.16Å; R277-E281 IonicContact NH1-OE2 2.83Å; R277-E281 IonicContact NH2-OE1 3.22Å; R277-E281 PolarHBondContact NH2-OE1 3Å; R277-E281 PolarHBondContact O-N 3.39Å |
| 278 | R | 98 | Very high | 95.5 | Very high | 76 Ų | 76 | 90.6 Ų | 90.6 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 171.6 | -71.4 | -175.3 | -68.3 | 138.5 | -2.9 | 112.7 | F245 V249 Y250 F274 Q275 E281 K282 | F245-R278 HydrophobicContact CE2-CG 3.71Å; F245-R278 HydrophobicContact CZ-CG 3.95Å; V249-R278 HydrophobicContact CG1-CG 3.76Å; V249-R278 WeakPolarHBondContact O-CD 3.21Å; Y250-R278 PolarHBondContact OH-NH1 2.73Å; F274-R278 WeakPolarHBondContact O-CG 3.21Å; F274-R278 PolarHBondContact O-N 2.86Å; F274-R278 PolarHBondContact O-NE 2.97Å; Q275-R278 PolarHBondContact O-N 3.21Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.11Å; R278-K282 PolarHBondContact O-N 2.96Å |
| 279 | M | 98 | Very high | 94.6 | Very high | 117 Ų | 117 | 86.8 Ų | 86.8 | 58% | 0.576 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 176.2 | -69.7 | -63.7 | -74.1 | 0 | 0 | 112.1 | Q275 N276 E281 K283 | Q275-M279 WeakPolarHBondContact O-CG 3.37Å; Q275-M279 PolarHBondContact O-N 3.26Å; Q275-M279 VanDerWaalsContact O-N 3.13Å; N276-M279 PolarHBondContact O-N 3.33Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-K283 WeakPolarHBondContact O-CB 3.37Å; M279-K283 PolarHBondContact O-N 2.92Å |
| 280 | K | 96.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 89 Ų | 89 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.5 | -42.9 | 171 | -173.9 | -175.2 | 176.7 | -170.2 | 0 | 111.2 | N276 K283 L284 | N276-K280 WeakPolarHBondContact O-CB 3.31Å; N276-K280 PolarHBondContact O-N 2.81Å; K280-K283 PolarHBondContact O-N 3.25Å; K280-L284 WeakPolarHBondContact O-CB 3.47Å; K280-L284 PolarHBondContact O-N 2.89Å |
| 281 | E | 96.2 | Very high | 92.3 | Very high | 71 Ų | 71 | 96 Ų | 96 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -50 | 178.6 | -162 | 146.9 | -93 | 0 | 0 | 112.9 | F245 R277 R278 M279 K283 L284 N285 | F245-E281 WeakPolarHBondContact CE1-OE1 3.34Å; F245-E281 VanDerWaalsContact CE1-OE2 3.28Å; F245-E281 WeakPolarHBondContact CE1-OE2 3.44Å; F245-E281 VanDerWaalsContact CZ-OE2 3.27Å; F245-E281 WeakPolarHBondContact CZ-OE2 3.42Å; R277-E281 IonicContact CZ-OE1 3.33Å; R277-E281 VanDerWaalsContact CZ-OE1 3.22Å; R277-E281 VanDerWaalsContact NH1-CD 3.33Å; R277-E281 IonicContact NH1-OE1 3.86Å; R277-E281 PolarHBondContact NH1-OE1 3.16Å; R277-E281 IonicContact NH1-OE2 2.83Å; R277-E281 IonicContact NH2-OE1 3.22Å; R277-E281 PolarHBondContact NH2-OE1 3Å; R277-E281 PolarHBondContact O-N 3.39Å; R278-E281 WeakPolarHBondContact O-CB 3.32Å; R278-E281 PolarHBondContact O-N 3.11Å; M279-E281 VanDerWaalsContact C-N 3.34Å; E281-K283 VanDerWaalsContact C-N 3.27Å; E281-K283 PolarHBondContact O-N 3.46Å; E281-L284 PolarHBondContact O-N 3.13Å; E281-L284 VanDerWaalsContact O-N 3.14Å; E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 PolarHBondContact O-N 2.93Å |
| 282 | K | 95.9 | Very high | 90.7 | Very high | 143 Ų | 143 | 97.5 Ų | 97.5 | 62% | 0.622 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.5 | -39.6 | 177.2 | -172 | 175 | 67.8 | 168.7 | 0 | 111.4 | R278 R286 | R278-K282 PolarHBondContact O-N 2.96Å; K282-R286 WeakPolarHBondContact O-CB 3.5Å; K282-R286 PolarHBondContact O-N 2.76Å; K282-R286 VanDerWaalsContact O-N 3.08Å |
| 283 | K | 94.6 | Very high | 89.4 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -50.8 | 172.9 | 179.3 | 172 | 176.5 | 178.5 | 0 | 111.3 | M279 K280 E281 N285 R286 D287 | M279-K283 WeakPolarHBondContact O-CB 3.37Å; M279-K283 PolarHBondContact O-N 2.92Å; K280-K283 PolarHBondContact O-N 3.25Å; E281-K283 VanDerWaalsContact C-N 3.27Å; E281-K283 PolarHBondContact O-N 3.46Å; K283-N285 VanDerWaalsContact C-N 3.33Å; K283-N285 PolarHBondContact O-N 3.21Å; K283-R286 PolarHBondContact O-N 3.14Å; K283-D287 WeakPolarHBondContact CE-OD2 3.32Å; K283-D287 WeakPolarHBondContact CG-OD2 3.44Å; K283-D287 IonicContact NZ-OD2 3.49Å; K283-D287 WeakPolarHBondContact O-CB 3.43Å; K283-D287 PolarHBondContact O-N 3.37Å |
| 284 | L | 92.4 | Very high | 87.6 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 57% | 0.571 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | -176.1 | -166.6 | 150.9 | 0 | 0 | 0 | 112.3 | K280 E281 R288 | K280-L284 WeakPolarHBondContact O-CB 3.47Å; K280-L284 PolarHBondContact O-N 2.89Å; E281-L284 PolarHBondContact O-N 3.13Å; E281-L284 VanDerWaalsContact O-N 3.14Å; L284-R288 WeakPolarHBondContact O-CB 3.48Å; L284-R288 PolarHBondContact O-N 2.94Å |
| 285 | N | 89.9 | Confident | 85.2 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -47.9 | 173.4 | -167.4 | -15.6 | 0 | 0 | 0 | 111.4 | E281 K283 D287 R288 L289 | E281-N285 WeakPolarHBondContact O-CB 3.48Å; E281-N285 PolarHBondContact O-N 2.93Å; K283-N285 VanDerWaalsContact C-N 3.33Å; K283-N285 PolarHBondContact O-N 3.21Å; N285-D287 PolarHBondContact O-N 3.22Å; N285-R288 PolarHBondContact O-N 2.77Å; N285-L289 PolarHBondContact O-N 3.48Å |
| 286 | R | 88.6 | Confident | 83.1 | Confident | 149 Ų | 149 | 107.8 Ų | 107.8 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.5 | -49.2 | 173.9 | -175.6 | -160.7 | 72 | 151.4 | 6.4 | 112 | K282 K283 R288 L289 Q290 | K282-R286 WeakPolarHBondContact O-CB 3.5Å; K282-R286 PolarHBondContact O-N 2.76Å; K282-R286 VanDerWaalsContact O-N 3.08Å; K283-R286 PolarHBondContact O-N 3.14Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.39Å; R286-L289 PolarHBondContact O-N 3.5Å; R286-Q290 WeakPolarHBondContact O-CG 3.3Å; R286-Q290 PolarHBondContact O-N 2.93Å |
| 287 | D | 86.8 | Confident | 80.7 | Confident | 55 Ų | 55 | 110.7 Ų | 110.7 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -33 | -175.5 | -63.6 | -0.2 | 0 | 0 | 0 | 110.8 | K283 N285 Y291 | K283-D287 WeakPolarHBondContact CE-OD2 3.32Å; K283-D287 WeakPolarHBondContact CG-OD2 3.44Å; K283-D287 IonicContact NZ-OD2 3.49Å; K283-D287 WeakPolarHBondContact O-CB 3.43Å; K283-D287 PolarHBondContact O-N 3.37Å; N285-D287 PolarHBondContact O-N 3.22Å; D287-Y291 PolarHBondContact O-N 2.8Å |
| 288 | R | 86.7 | Confident | 78.1 | Confident | 149 Ų | 149 | 120 Ų | 120 | 56% | 0.562 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.8 | -43 | 169.5 | -178.8 | 178 | -177.2 | -146.9 | -6.8 | 112.4 | L284 N285 R286 Y291 Y292 | L284-R288 WeakPolarHBondContact O-CB 3.48Å; L284-R288 PolarHBondContact O-N 2.94Å; N285-R288 PolarHBondContact O-N 2.77Å; R286-R288 VanDerWaalsContact C-N 3.32Å; R286-R288 PolarHBondContact O-N 3.39Å; R288-Y291 PolarHBondContact O-N 3.37Å; R288-Y292 HydrophobicContact CG-CD2 4.2Å; R288-Y292 HydrophobicContact CG-CE2 3.65Å; R288-Y292 PolarHBondContact NE-OH 2.98Å; R288-Y292 PolarHBondContact NH2-OH 2.88Å; R288-Y292 VanDerWaalsContact NH2-OH 3.12Å; R288-Y292 WeakPolarHBondContact O-CD2 3.31Å; R288-Y292 PolarHBondContact O-N 3.32Å |
| 289 | L | 78.4 | Confident | 77.1 | Confident | 103 Ų | 103 | 122.3 Ų | 122.3 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.4 | -43.3 | 176.5 | -177.2 | 64.1 | 0 | 0 | 0 | 111 | N285 R286 Y291 Y292 T293 | N285-L289 PolarHBondContact O-N 3.48Å; R286-L289 PolarHBondContact O-N 3.5Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 3.3Å; L289-Y292 PolarHBondContact O-N 3.11Å; L289-T293 PolarHBondContact O-N 3.14Å; L289-T293 PolarHBondContact O-OG1 2.83Å |
| 290 | Q | 75.3 | Confident | 76 | Confident | 112 Ų | 112 | 122.5 Ų | 122.5 | 52% | 0.523 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -58.5 | -42.7 | 174.7 | -70.4 | -68.6 | -65.5 | 0 | 0 | 111.9 | R286 Y292 T293 S294 | R286-Q290 WeakPolarHBondContact O-CG 3.3Å; R286-Q290 PolarHBondContact O-N 2.93Å; Q290-Y292 VanDerWaalsContact C-N 3.3Å; Q290-Y292 PolarHBondContact O-N 3.41Å; Q290-T293 PolarHBondContact O-N 2.87Å; Q290-S294 VanDerWaalsContact O-CB 3.31Å; Q290-S294 WeakPolarHBondContact O-CB 3.43Å; Q290-S294 PolarHBondContact O-N 3.47Å; Q290-S294 PolarHBondContact O-OG 3.04Å; Q290-S294 VanDerWaalsContact O-OG 3.11Å |
| 291 | Y | 73.1 | Confident | 74.9 | Confident | 148 Ų | 148 | 122.3 Ų | 122.3 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59 | -35.5 | 176.2 | 176 | -94.6 | 0 | 0 | 0 | 113.7 | D287 R288 L289 N295 | D287-Y291 PolarHBondContact O-N 2.8Å; R288-Y291 PolarHBondContact O-N 3.37Å; L289-Y291 VanDerWaalsContact C-N 3.33Å; L289-Y291 PolarHBondContact O-N 3.3Å; Y291-N295 PolarHBondContact O-ND2 2.98Å |
| 292 | Y | 65.3 | Low | 73.7 | Confident | 135 Ų | 135 | 125.3 Ų | 125.3 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.8 | -37.4 | 174.2 | -64.5 | -63 | 0 | 0 | 0 | 112.3 | R288 L289 Q290 | R288-Y292 HydrophobicContact CG-CD2 4.2Å; R288-Y292 HydrophobicContact CG-CE2 3.65Å; R288-Y292 PolarHBondContact NE-OH 2.98Å; R288-Y292 PolarHBondContact NH2-OH 2.88Å; R288-Y292 VanDerWaalsContact NH2-OH 3.12Å; R288-Y292 WeakPolarHBondContact O-CD2 3.31Å; R288-Y292 PolarHBondContact O-N 3.32Å; L289-Y292 PolarHBondContact O-N 3.11Å; Q290-Y292 VanDerWaalsContact C-N 3.3Å; Q290-Y292 PolarHBondContact O-N 3.41Å |
| 293 | T | 70.9 | Confident | 72.3 | Confident | 99 Ų | 99 | 124.2 Ų | 124.2 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.6 | -30.3 | 176.2 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | L289 Q290 N295 | L289-T293 PolarHBondContact O-N 3.14Å; L289-T293 PolarHBondContact O-OG1 2.83Å; Q290-T293 PolarHBondContact O-N 2.87Å; T293-N295 VanDerWaalsContact C-N 3.32Å; T293-N295 PolarHBondContact O-N 2.86Å |
| 294 | S | 59 | Low | 70.8 | Confident | 79 Ų | 79 | 124.2 Ų | 124.2 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 9.1 | -178 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | Q290 P296 | Q290-S294 VanDerWaalsContact O-CB 3.31Å; Q290-S294 WeakPolarHBondContact O-CB 3.43Å; Q290-S294 PolarHBondContact O-N 3.47Å; Q290-S294 PolarHBondContact O-OG 3.04Å; Q290-S294 VanDerWaalsContact O-OG 3.11Å; S294-P296 VanDerWaalsContact C-CD 3.46Å; S294-P296 WeakPolarHBondContact O-CD 3.38Å |
| 295 | N | 48.5 | Very low | 69.2 | Low | 89 Ų | 89 | 125.3 Ų | 125.3 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | trans | -116.8 | 78.4 | 173.3 | -81.1 | -68.5 | 0 | 0 | 0 | 110 | Y291 T293 L297 | Y291-N295 PolarHBondContact O-ND2 2.98Å; T293-N295 VanDerWaalsContact C-N 3.32Å; T293-N295 PolarHBondContact O-N 2.86Å; N295-L297 PolarHBondContact O-N 3.13Å | ||
| 296 | P | 55.5 | Low | 67.6 | Low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 63% | 0.626 | S | S | * | * | trans | -79.4 | 42.3 | 179.9 | 36.6 | -38.7 | 0 | 0 | 0 | 112.3 | S294 | S294-P296 VanDerWaalsContact C-CD 3.46Å; S294-P296 WeakPolarHBondContact O-CD 3.38Å | ||
| 297 | L | 47.8 | Very low | 65.9 | Low | 161 Ų | 161 | 124.7 Ų | 124.7 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | trans | -139.4 | 65.9 | -177.2 | -71.4 | 178 | 0 | 0 | 0 | 111.3 | N295 | N295-L297 PolarHBondContact O-N 3.13Š| ||
| 298 | L | 43.5 | Very low | 64 | Low | 249 Ų | 249 | 131 Ų | 131 | 100% | 1.304 | 66% | 0.662 | S | S | * | * | trans | -141.7 | 0 | 152.7 | -90.1 | 176.3 | 0 | 0 | 0 | 107.8 |
Retrieved 298 of 298 residues in 212.8 ms
(Link to these results)