| 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 | 47.6 | Very low | 46.4 | Very low | 241 Ų | 241 | 171.4 Ų | 171.4 | 100% | 1.187 | 89% | 0.885 | S | S | * | * | 0 | 97.8 | 0 | -68.7 | -109.1 | 169.7 | 0 | 0 | 106.2 | E3 | M1-E3 PolarHBondContact O-N 3.3Š| |||
| 2 | A | 42 | Very low | 46.4 | Very low | 102 Ų | 102 | 174.3 Ų | 174.3 | 84% | 0.843 | 89% | 0.886 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 117.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S4 | A2-S4 PolarHBondContact O-N 3.07Š|
| 3 | E | 44.5 | Very low | 46.1 | Very low | 196 Ų | 196 | 179.7 Ų | 179.7 | 92% | 0.916 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.6 | -177.5 | -70 | 178.7 | 147.4 | 0 | 0 | 111 | M1 A5 | M1-E3 PolarHBondContact O-N 3.3Å; E3-A5 PolarHBondContact O-N 2.94Å |
| 4 | S | 47.1 | Very low | 45.8 | Very low | 120 Ų | 120 | 184.3 Ų | 184.3 | 84% | 0.839 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120.9 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | A2 | A2-S4 PolarHBondContact O-N 3.07Š|
| 5 | A | 47.1 | Very low | 45.5 | Very low | 94 Ų | 94 | 179.9 Ų | 179.9 | 78% | 0.777 | 89% | 0.887 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E3 | E3-A5 PolarHBondContact O-N 2.94Š|
| 6 | P | 49.2 | Very low | 45.5 | Very low | 127 Ų | 127 | 176.4 Ų | 176.4 | 83% | 0.825 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 137.7 | -168.2 | 29.9 | -33.8 | 0 | 0 | 0 | 113.4 | R8 | P6-R8 PolarHBondContact O-N 2.9Š|
| 7 | A | 49.3 | Very low | 45.4 | Very low | 89 Ų | 89 | 173.2 Ų | 173.2 | 74% | 0.736 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 125.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H9 | A7-H9 PolarHBondContact O-N 3.28Š|
| 8 | R | 45 | Very low | 45 | Very low | 248 Ų | 248 | 173.4 Ų | 173.4 | 94% | 0.936 | 88% | 0.877 | S | S | * | * | trans | -67.9 | 109.4 | 171.5 | -87.8 | -179.1 | 169.9 | -152.2 | -1.6 | 110.6 | P6 R10 | P6-R8 PolarHBondContact O-N 2.9Å; R8-R10 PolarHBondContact O-N 3.37Å | ||
| 9 | H | 49.7 | Very low | 44.9 | Very low | 184 Ų | 184 | 171.7 Ų | 171.7 | 85% | 0.852 | 88% | 0.876 | S | S | * | * | trans | -66.5 | 112.5 | 168.7 | -82.4 | -76.1 | 0 | 0 | 0 | 111.4 | A7 R11 | A7-H9 PolarHBondContact O-N 3.28Å; H9-R11 PolarHBondContact O-N 3.06Å | ||
| 10 | R | 45 | Very low | 44.6 | Very low | 243 Ų | 243 | 168.7 Ų | 168.7 | 92% | 0.917 | 87% | 0.872 | S | S | * | * | trans | -75.1 | 101.2 | 174.9 | -152.9 | 178 | -172.4 | -167 | 2.5 | 108.9 | R8 K12 | R8-R10 PolarHBondContact O-N 3.37Å; R10-K12 PolarHBondContact O-N 3.3Å | ||
| 11 | R | 44.4 | Very low | 44.4 | Very low | 241 Ų | 241 | 165.6 Ų | 165.6 | 91% | 0.909 | 87% | 0.865 | S | S | * | * | trans | -64.9 | 112.3 | 173.5 | -84.2 | -174.7 | 173.4 | -170.2 | -1.4 | 110 | H9 R13 | H9-R11 PolarHBondContact O-N 3.06Å; R11-R13 PolarHBondContact O-N 3.28Å | ||
| 12 | K | 46.1 | Very low | 44 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | trans | -62.5 | 113.7 | 170 | -78.4 | 175.2 | 174.3 | 176.3 | 0 | 109.3 | R10 R14 | R10-K12 PolarHBondContact O-N 3.3Å; K12-R14 PolarHBondContact O-N 2.64Å | ||
| 13 | R | 42.5 | Very low | 43.8 | Very low | 244 Ų | 244 | 162.9 Ų | 162.9 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -71.6 | 113.5 | 167.1 | -73.3 | -176.6 | 173.8 | -139.6 | -0.4 | 108 | R11 S15 | R11-R13 PolarHBondContact O-N 3.28Å; R13-S15 PolarHBondContact O-N 3.38Å | ||
| 14 | R | 41.9 | Very low | 43.9 | Very low | 244 Ų | 244 | 159.2 Ų | 159.2 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -73.3 | 115.4 | 166.2 | -93.5 | -177.7 | 175.1 | -145.8 | -0.3 | 107.9 | K12 | K12-R14 PolarHBondContact O-N 2.64Š| ||
| 15 | S | 41.6 | Very low | 43.5 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -76.6 | 109.1 | 167.6 | 39 | 0 | 0 | 0 | 0 | 109.2 | R13 | R13-S15 PolarHBondContact O-N 3.38Š| ||
| 16 | T | 45.3 | Very low | 43.4 | Very low | 125 Ų | 125 | 163.2 Ų | 163.2 | 77% | 0.767 | 84% | 0.841 | S | S | * | * | trans | -87.2 | 138.1 | 167.4 | 38.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 17 | P | 44.6 | Very low | 42.8 | Very low | 121 Ų | 121 | 162 Ų | 162 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | trans | -76.5 | 143.6 | -170.2 | -8.3 | 26.3 | 0 | 0 | 0 | 112.2 | T19 | P17-T19 PolarHBondContact O-N 3.17Š| ||
| 18 | L | 38 | Very low | 42.4 | Very low | 177 Ų | 177 | 163.2 Ų | 163.2 | 93% | 0.927 | 84% | 0.84 | S | S | * | * | trans | -68 | 112.8 | 175.5 | -66.9 | 156.2 | 0 | 0 | 0 | 109.7 | ||||
| 19 | T | 41.6 | Very low | 42 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 129.6 | 166.1 | 38.7 | 0 | 0 | 0 | 0 | 110 | P17 | P17-T19 PolarHBondContact O-N 3.17Š|
| 20 | S | 40.4 | Very low | 41.5 | Very low | 112 Ų | 112 | 158.3 Ų | 158.3 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 136.9 | -173.9 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 21 | S | 39.3 | Very low | 41.3 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 125.5 | 173 | 57 | 0 | 0 | 0 | 0 | 112.7 | ||
| 22 | T | 40.1 | Very low | 41 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -99.4 | 113.3 | 157 | -56.5 | 0 | 0 | 0 | 0 | 107.3 | P24 | T22-P24 WeakPolarHBondContact O-CD 3.32Š| ||
| 23 | L | 37.8 | Very low | 40.8 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 123 | 174 | -79.9 | 155.8 | 0 | 0 | 0 | 109.6 | ||||
| 24 | P | 46.6 | Very low | 40.8 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -96.6 | 106.3 | 157.3 | 7.3 | 13.6 | 0 | 0 | 0 | 108.4 | T22 Q26 | T22-P24 WeakPolarHBondContact O-CD 3.32Å; P24-Q26 PolarHBondContact O-N 3.35Å | ||
| 25 | S | 39.2 | Very low | 41 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 103.9 | 163.8 | -75 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 26 | Q | 44.4 | Very low | 41.5 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -134.8 | 101.4 | 152.6 | -71.7 | -158 | 31 | 0 | 0 | 108.7 | P24 | P24-Q26 PolarHBondContact O-N 3.35Š| ||
| 27 | A | 35.3 | Very low | 42.2 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -99.4 | 97.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 28 | T | 42.2 | Very low | 43.6 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | -145.2 | 93 | 163 | 45.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 29 | E | 36.5 | Very low | 45.5 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 73.3 | 105.3 | 108.6 | -77.6 | -158.8 | 121.6 | 0 | 0 | 115.2 | |||||
| 30 | K | 38.1 | Very low | 47.6 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | trans | 60.2 | 85.8 | 134.7 | -60.7 | 168.3 | -176.8 | 151 | 0 | 116.9 | ||||
| 31 | S | 40.9 | Very low | 49.8 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -145.9 | 79.9 | 138.1 | -167.7 | 0 | 0 | 0 | 0 | 109 | Y33 | S31-Y33 VanDerWaalsContact C-N 3.32Å; S31-Y33 PolarHBondContact O-N 3.38Å; S31-Y33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | S | 38.9 | Very low | 52.2 | Low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -78.1 | 84.1 | 168.2 | 60.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 33 | Y | 41 | Very low | 54.6 | Low | 188 Ų | 188 | 138 Ų | 138 | 74% | 0.737 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -162.1 | 115.2 | 162.3 | -127.6 | -127 | 0 | 0 | 0 | 109 | S31 | S31-Y33 VanDerWaalsContact C-N 3.32Å; S31-Y33 PolarHBondContact O-N 3.38Å; S31-Y33 VanDerWaalsContact O-N 3.16Å |
| 34 | F | 44.1 | Very low | 57.2 | Low | 160 Ų | 160 | 134.2 Ų | 134.2 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | trans | 56 | 68.4 | 169.1 | -59 | -73.2 | 0 | 0 | 0 | 118 | T36 | F34-T36 VanDerWaalsContact C-N 3.33Å; F34-T36 PolarHBondContact O-N 3.17Å | ||
| 35 | Q | 45.9 | Very low | 59.4 | Low | 193 Ų | 193 | 131 Ų | 131 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | trans | -85.9 | 87.2 | 143.7 | -73.4 | -170.1 | -4.5 | 0 | 0 | 107.4 | T37 | Q35-T37 PolarHBondContact O-N 2.94Š| ||
| 36 | T | 51.4 | Low | 62 | Low | 111 Ų | 111 | 128 Ų | 128 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | trans | -53.7 | 109 | 157.1 | 36.8 | 0 | 0 | 0 | 0 | 106.4 | F34 E38 | F34-T36 VanDerWaalsContact C-N 3.33Å; F34-T36 PolarHBondContact O-N 3.17Å; T36-E38 PolarHBondContact O-N 3.33Å | ||
| 37 | T | 60.1 | Low | 64.4 | Low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 66% | 0.662 | S | S | * | * | trans | -61.5 | 92.4 | 173.6 | 50.7 | 0 | 0 | 0 | 0 | 107.4 | Q35 I39 | Q35-T37 PolarHBondContact O-N 2.94Å; T37-I39 VanDerWaalsContact C-N 3.34Å; T37-I39 PolarHBondContact O-N 3.02Å | ||
| 38 | E | 72.8 | Confident | 67.2 | Low | 179 Ų | 179 | 121.4 Ų | 121.4 | 84% | 0.836 | 64% | 0.644 | S | S | * | * | trans | -61 | 103.4 | 169.3 | -71.9 | -175.3 | 166.3 | 0 | 0 | 106.4 | T36 S40 | T36-E38 PolarHBondContact O-N 3.33Å; E38-S40 PolarHBondContact O-N 3.09Å; E38-S40 VanDerWaalsContact O-N 3.15Å | ||
| 39 | I | 78.4 | Confident | 69.7 | Low | 119 Ų | 119 | 120.6 Ų | 120.6 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | trans | -59.5 | 121.8 | 171.8 | -63.9 | 165.4 | 0 | 0 | 0 | 105.4 | T37 L41 T43 V44 | T37-I39 VanDerWaalsContact C-N 3.34Å; T37-I39 PolarHBondContact O-N 3.02Å; I39-L41 PolarHBondContact O-N 3.1Å; I39-T43 HydrophobicContact CG2-CG2 4Å; I39-V44 HydrophobicContact CG2-CG2 3.85Å | ||
| 40 | S | 86 | Confident | 72.5 | Confident | 58 Ų | 58 | 116.3 Ų | 116.3 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | trans | -58.7 | 139.6 | -179.9 | 82 | 0 | 0 | 0 | 0 | 109.8 | E38 W42 T43 V44 | E38-S40 PolarHBondContact O-N 3.09Å; E38-S40 VanDerWaalsContact O-N 3.15Å; S40-W42 PolarHBondContact O-N 2.89Å; S40-W42 VanDerWaalsContact O-N 3.1Å; S40-T43 WeakPolarHBondContact O-CA 3.47Å; S40-T43 VanDerWaalsContact O-CB 3.31Å; S40-T43 WeakPolarHBondContact O-CB 3.49Å; S40-T43 PolarHBondContact O-N 2.9Å; S40-T43 PolarHBondContact OG-N 3.1Å; S40-T43 PolarHBondContact OG-OG1 3.47Å; S40-V44 PolarHBondContact O-N 3.15Å | ||
| 41 | L | 87.8 | Confident | 75.2 | Confident | 137 Ų | 137 | 112.5 Ų | 112.5 | 72% | 0.717 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -53.4 | -33.9 | 177.3 | -173.7 | 136 | 0 | 0 | 0 | 111.7 | I39 T43 V44 V45 | I39-L41 PolarHBondContact O-N 3.1Å; L41-T43 PolarHBondContact O-N 3.33Å; L41-V44 PolarHBondContact O-N 3.34Å; L41-V45 HydrophobicContact CD2-CG2 4.12Å; L41-V45 WeakPolarHBondContact O-CG2 3.2Å; L41-V45 PolarHBondContact O-N 2.96Å |
| 42 | W | 89.3 | Confident | 77.9 | Confident | 205 Ų | 205 | 112 Ų | 112 | 78% | 0.777 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.8 | -38.3 | 172.8 | -71.9 | 106.5 | 0 | 0 | 0 | 113.9 | S40 V44 V45 A46 | S40-W42 PolarHBondContact O-N 2.89Å; S40-W42 VanDerWaalsContact O-N 3.1Å; W42-V44 VanDerWaalsContact C-N 3.34Å; W42-V45 PolarHBondContact O-N 2.9Å; W42-A46 VanDerWaalsContact O-CB 3.32Å; W42-A46 WeakPolarHBondContact O-CB 2.83Å; W42-A46 PolarHBondContact O-N 3.15Å |
| 43 | T | 90.1 | Very high | 80.5 | Confident | 80 Ų | 80 | 113.2 Ų | 113.2 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -40.6 | 176 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | I39 S40 L41 A47 | I39-T43 HydrophobicContact CG2-CG2 4Å; S40-T43 WeakPolarHBondContact O-CA 3.47Å; S40-T43 VanDerWaalsContact O-CB 3.31Å; S40-T43 WeakPolarHBondContact O-CB 3.49Å; S40-T43 PolarHBondContact O-N 2.9Å; S40-T43 PolarHBondContact OG-N 3.1Å; S40-T43 PolarHBondContact OG-OG1 3.47Å; L41-T43 PolarHBondContact O-N 3.33Å; T43-A47 WeakPolarHBondContact O-CB 3.38Å; T43-A47 PolarHBondContact O-N 2.96Å |
| 44 | V | 92 | Very high | 83.1 | Confident | 72 Ų | 72 | 110.8 Ų | 110.8 | 44% | 0.436 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -47.3 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | I39 S40 L41 W42 A46 A47 I48 | I39-V44 HydrophobicContact CG2-CG2 3.85Å; S40-V44 PolarHBondContact O-N 3.15Å; L41-V44 PolarHBondContact O-N 3.34Å; W42-V44 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 3.02Å; V44-A47 WeakPolarHBondContact O-CB 3.47Å; V44-A47 PolarHBondContact O-N 2.93Å; V44-I48 HydrophobicContact CG1-CD1 4.07Å; V44-I48 WeakPolarHBondContact O-CG1 3.5Å; V44-I48 PolarHBondContact O-N 2.67Å |
| 45 | V | 93.6 | Very high | 85.7 | Confident | 52 Ų | 52 | 109.2 Ų | 109.2 | 32% | 0.315 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.9 | -44 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | L41 W42 A47 I48 Q49 | L41-V45 HydrophobicContact CD2-CG2 4.12Å; L41-V45 WeakPolarHBondContact O-CG2 3.2Å; L41-V45 PolarHBondContact O-N 2.96Å; W42-V45 PolarHBondContact O-N 2.9Å; V45-A47 VanDerWaalsContact C-N 3.32Å; V45-A47 PolarHBondContact O-N 3.07Å; V45-I48 PolarHBondContact O-N 3.43Å; V45-Q49 WeakPolarHBondContact O-CG 3.38Å; V45-Q49 PolarHBondContact O-N 3.04Å |
| 46 | A | 93.2 | Very high | 88.1 | Confident | 55 Ų | 55 | 106 Ų | 106 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -36.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | W42 V44 A50 | W42-A46 VanDerWaalsContact O-CB 3.32Å; W42-A46 WeakPolarHBondContact O-CB 2.83Å; W42-A46 PolarHBondContact O-N 3.15Å; V44-A46 PolarHBondContact O-N 3.02Å; A46-A50 WeakPolarHBondContact O-CB 3.16Å; A46-A50 PolarHBondContact O-N 2.82Å |
| 47 | A | 94.5 | Very high | 90.1 | Very high | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.9 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T43 V44 V45 A50 V51 | T43-A47 WeakPolarHBondContact O-CB 3.38Å; T43-A47 PolarHBondContact O-N 2.96Å; V44-A47 WeakPolarHBondContact O-CB 3.47Å; V44-A47 PolarHBondContact O-N 2.93Å; V45-A47 VanDerWaalsContact C-N 3.32Å; V45-A47 PolarHBondContact O-N 3.07Å; A47-A50 PolarHBondContact O-N 3.31Å; A47-V51 WeakPolarHBondContact O-CG2 3.4Å; A47-V51 PolarHBondContact O-N 3.46Å; A47-V51 VanDerWaalsContact O-N 3.09Å |
| 48 | I | 94.3 | Very high | 91.9 | Very high | 88 Ų | 88 | 103.5 Ų | 103.5 | 45% | 0.451 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 176 | -66.5 | 167.4 | 0 | 0 | 0 | 110.5 | V44 V45 A50 V51 E52 | V44-I48 HydrophobicContact CG1-CD1 4.07Å; V44-I48 WeakPolarHBondContact O-CG1 3.5Å; V44-I48 PolarHBondContact O-N 2.67Å; V45-I48 PolarHBondContact O-N 3.43Å; I48-A50 PolarHBondContact O-N 2.75Å; I48-V51 CarbonylContact O-C 3.6Å; I48-V51 WeakPolarHBondContact O-CA 3.28Å; I48-V51 WeakPolarHBondContact O-CB 3.37Å; I48-V51 PolarHBondContact O-N 2.96Å; I48-E52 HydrophobicContact CG2-CG 4.44Å; I48-E52 PolarHBondContact O-N 3.45Å |
| 49 | Q | 95.1 | Very high | 93 | Very high | 97 Ų | 97 | 97 Ų | 97 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -33.5 | 177.1 | -73.1 | 179.5 | -8 | 0 | 0 | 113 | V45 V51 K53 | V45-Q49 WeakPolarHBondContact O-CG 3.38Å; V45-Q49 PolarHBondContact O-N 3.04Å; Q49-V51 VanDerWaalsContact C-N 3.35Å; Q49-K53 WeakPolarHBondContact O-CG 3.31Å; Q49-K53 PolarHBondContact O-N 2.91Å; Q49-K53 VanDerWaalsContact O-N 3.1Å |
| 50 | A | 95.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | A46 A47 I48 K54 | A46-A50 WeakPolarHBondContact O-CB 3.16Å; A46-A50 PolarHBondContact O-N 2.82Å; A47-A50 PolarHBondContact O-N 3.31Å; I48-A50 PolarHBondContact O-N 2.75Å; A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.45Å |
| 51 | V | 95.5 | Very high | 94.2 | Very high | 99 Ų | 99 | 100.1 Ų | 100.1 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.7 | -43.1 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | A47 I48 Q49 K53 K54 M55 | A47-V51 WeakPolarHBondContact O-CG2 3.4Å; A47-V51 PolarHBondContact O-N 3.46Å; A47-V51 VanDerWaalsContact O-N 3.09Å; I48-V51 CarbonylContact O-C 3.6Å; I48-V51 WeakPolarHBondContact O-CA 3.28Å; I48-V51 WeakPolarHBondContact O-CB 3.37Å; I48-V51 PolarHBondContact O-N 2.96Å; Q49-V51 VanDerWaalsContact C-N 3.35Å; V51-K53 PolarHBondContact O-N 3.17Å; V51-K54 WeakPolarHBondContact O-CA 3.46Å; V51-K54 WeakPolarHBondContact O-CB 3.35Å; V51-K54 PolarHBondContact O-N 3.45Å; V51-K54 VanDerWaalsContact O-N 3.09Å; V51-M55 PolarHBondContact O-N 2.96Å |
| 52 | E | 95.8 | Very high | 94.5 | Very high | 104 Ų | 104 | 98.5 Ų | 98.5 | 49% | 0.486 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.9 | -49.6 | 176.3 | -71.8 | 173.1 | 164.6 | 0 | 0 | 111.6 | I48 K54 M55 E56 | I48-E52 HydrophobicContact CG2-CG 4.44Å; I48-E52 PolarHBondContact O-N 3.45Å; E52-K54 PolarHBondContact O-N 3.46Å; E52-M55 WeakPolarHBondContact O-CA 3.37Å; E52-M55 WeakPolarHBondContact O-CB 3.49Å; E52-M55 PolarHBondContact O-N 2.68Å; E52-E56 WeakPolarHBondContact O-CG 3.28Å; E52-E56 PolarHBondContact O-N 3.27Å |
| 53 | K | 95.3 | Very high | 94.7 | Very high | 139 Ų | 139 | 95.1 Ų | 95.1 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -33.8 | 175.4 | -72.3 | 176.1 | -176.9 | 174 | 0 | 112.7 | Q49 V51 S57 | Q49-K53 WeakPolarHBondContact O-CG 3.31Å; Q49-K53 PolarHBondContact O-N 2.91Å; Q49-K53 VanDerWaalsContact O-N 3.1Å; V51-K53 PolarHBondContact O-N 3.17Å; K53-S57 WeakPolarHBondContact O-CB 3.27Å; K53-S57 PolarHBondContact O-N 3.39Å |
| 54 | K | 95.9 | Very high | 94.9 | Very high | 137 Ų | 137 | 94.8 Ų | 94.8 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70 | -40.8 | 175.7 | -169.3 | 173.1 | -179.1 | -179.7 | 0 | 111 | A50 V51 E52 S57 Q58 | A50-K54 WeakPolarHBondContact O-CB 3.45Å; A50-K54 PolarHBondContact O-N 3.45Å; V51-K54 WeakPolarHBondContact O-CA 3.46Å; V51-K54 WeakPolarHBondContact O-CB 3.35Å; V51-K54 PolarHBondContact O-N 3.45Å; V51-K54 VanDerWaalsContact O-N 3.09Å; E52-K54 PolarHBondContact O-N 3.46Å; K54-S57 PolarHBondContact O-N 3.02Å; K54-S57 PolarHBondContact O-OG 3.43Å; K54-Q58 WeakPolarHBondContact O-CG 3.27Å; K54-Q58 PolarHBondContact O-N 3.37Å |
| 55 | M | 96.8 | Very high | 94.9 | Very high | 128 Ų | 128 | 95 Ų | 95 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 175.6 | -173.8 | -97.9 | -162.5 | 0 | 0 | 111.5 | V51 E52 S57 Q58 A59 | V51-M55 PolarHBondContact O-N 2.96Å; E52-M55 WeakPolarHBondContact O-CA 3.37Å; E52-M55 WeakPolarHBondContact O-CB 3.49Å; E52-M55 PolarHBondContact O-N 2.68Å; M55-S57 VanDerWaalsContact C-N 3.35Å; M55-S57 PolarHBondContact O-N 3.5Å; M55-Q58 PolarHBondContact O-N 2.97Å; M55-Q58 VanDerWaalsContact O-N 3.14Å; M55-A59 PolarHBondContact O-N 3.38Å |
| 56 | E | 96.3 | Very high | 94.8 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.5 | -43.8 | 172.7 | -69.2 | 172.7 | 172.1 | 0 | 0 | 112 | E52 Q58 A59 A60 | E52-E56 WeakPolarHBondContact O-CG 3.28Å; E52-E56 PolarHBondContact O-N 3.27Å; E56-Q58 VanDerWaalsContact C-N 3.27Å; E56-Q58 PolarHBondContact O-N 3.33Å; E56-A59 PolarHBondContact O-N 2.89Å; E56-A60 PolarHBondContact O-N 3.43Å |
| 57 | S | 94.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 98.1 Ų | 98.1 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 176.9 | 79.6 | 0 | 0 | 0 | 0 | 112.7 | K53 K54 M55 R61 | K53-S57 WeakPolarHBondContact O-CB 3.27Å; K53-S57 PolarHBondContact O-N 3.39Å; K54-S57 PolarHBondContact O-N 3.02Å; K54-S57 PolarHBondContact O-OG 3.43Å; M55-S57 VanDerWaalsContact C-N 3.35Å; M55-S57 PolarHBondContact O-N 3.5Å; S57-R61 WeakPolarHBondContact O-CB 3.3Å; S57-R61 PolarHBondContact O-N 2.84Å |
| 58 | Q | 96.9 | Very high | 94.6 | Very high | 113 Ų | 113 | 103.6 Ų | 103.6 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.1 | -40.2 | 175.1 | -75.1 | -174.9 | -47 | 0 | 0 | 111.4 | K54 M55 E56 R61 L62 | K54-Q58 WeakPolarHBondContact O-CG 3.27Å; K54-Q58 PolarHBondContact O-N 3.37Å; M55-Q58 PolarHBondContact O-N 2.97Å; M55-Q58 VanDerWaalsContact O-N 3.14Å; E56-Q58 VanDerWaalsContact C-N 3.27Å; E56-Q58 PolarHBondContact O-N 3.33Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.06Å; Q58-L62 WeakPolarHBondContact O-CG 3.48Å; Q58-L62 PolarHBondContact O-N 3.01Å |
| 59 | A | 96.1 | Very high | 94.5 | Very high | 42 Ų | 42 | 102.9 Ų | 102.9 | 35% | 0.347 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M55 E56 R61 L62 Q63 | M55-A59 PolarHBondContact O-N 3.38Å; E56-A59 PolarHBondContact O-N 2.89Å; A59-R61 VanDerWaalsContact C-N 3.28Å; A59-R61 PolarHBondContact O-N 3.21Å; A59-L62 PolarHBondContact O-N 2.94Å; A59-Q63 PolarHBondContact O-N 3.27Å |
| 60 | A | 94.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 99.8 Ų | 99.8 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E56 S64 | E56-A60 PolarHBondContact O-N 3.43Å; A60-S64 PolarHBondContact O-N 3.37Å; A60-S64 VanDerWaalsContact O-N 3.15Å |
| 61 | R | 94.7 | Very high | 94.2 | Very high | 185 Ų | 185 | 100.7 Ų | 100.7 | 70% | 0.698 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.7 | -37.4 | 175.5 | -176 | 175.1 | 169.1 | 157.2 | -2.7 | 112.2 | S57 Q58 A59 S64 L65 | S57-R61 WeakPolarHBondContact O-CB 3.3Å; S57-R61 PolarHBondContact O-N 2.84Å; Q58-R61 WeakPolarHBondContact O-CB 3.42Å; Q58-R61 PolarHBondContact O-N 3.06Å; A59-R61 VanDerWaalsContact C-N 3.28Å; A59-R61 PolarHBondContact O-N 3.21Å; R61-S64 PolarHBondContact O-N 3.25Å; R61-L65 WeakPolarHBondContact O-CG 3.28Å; R61-L65 PolarHBondContact O-N 3.3Å; R61-L65 VanDerWaalsContact O-N 3.08Å |
| 62 | L | 94.9 | Very high | 94 | Very high | 103 Ų | 103 | 98.2 Ų | 98.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 175.8 | -72.9 | 174.3 | 0 | 0 | 0 | 111.4 | Q58 A59 S64 L65 E66 | Q58-L62 WeakPolarHBondContact O-CG 3.48Å; Q58-L62 PolarHBondContact O-N 3.01Å; A59-L62 PolarHBondContact O-N 2.94Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 3.01Å; L62-L65 CarbonylContact O-C 3.48Å; L62-L65 WeakPolarHBondContact O-CA 3.41Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 3.35Å; L62-E66 WeakPolarHBondContact O-CG 3.22Å; L62-E66 PolarHBondContact O-N 3.5Å |
| 63 | Q | 94.1 | Very high | 93.9 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.9 | -39.5 | 175.3 | -71.3 | 176.6 | -7.7 | 0 | 0 | 112.5 | A59 L65 E66 G67 | A59-Q63 PolarHBondContact O-N 3.27Å; Q63-L65 VanDerWaalsContact C-N 3.31Å; Q63-L65 PolarHBondContact O-N 2.83Å; Q63-E66 PolarHBondContact O-N 3.2Å; Q63-G67 PolarHBondContact O-N 2.85Å |
| 64 | S | 93.4 | Very high | 93.9 | Very high | 73 Ų | 73 | 99.4 Ų | 99.4 | 51% | 0.51 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 174.2 | 179 | 0 | 0 | 0 | 0 | 112.6 | A60 R61 L62 R68 | A60-S64 PolarHBondContact O-N 3.37Å; A60-S64 VanDerWaalsContact O-N 3.15Å; R61-S64 PolarHBondContact O-N 3.25Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 3.01Å; S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 2.85Å |
| 65 | L | 91.7 | Very high | 93.9 | Very high | 76 Ų | 76 | 99.5 Ų | 99.5 | 40% | 0.398 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.6 | -43.1 | 175.6 | -74 | 170.7 | 0 | 0 | 0 | 111.4 | R61 L62 Q63 G67 R68 T69 | R61-L65 WeakPolarHBondContact O-CG 3.28Å; R61-L65 PolarHBondContact O-N 3.3Å; R61-L65 VanDerWaalsContact O-N 3.08Å; L62-L65 CarbonylContact O-C 3.48Å; L62-L65 WeakPolarHBondContact O-CA 3.41Å; L62-L65 WeakPolarHBondContact O-CB 3.34Å; L62-L65 PolarHBondContact O-N 3.35Å; Q63-L65 VanDerWaalsContact C-N 3.31Å; Q63-L65 PolarHBondContact O-N 2.83Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 3.2Å; L65-R68 CarbonylContact O-C 3.55Å; L65-R68 WeakPolarHBondContact O-CA 3.43Å; L65-R68 WeakPolarHBondContact O-CB 3.45Å; L65-R68 PolarHBondContact O-N 3.33Å; L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 3.48Å |
| 66 | E | 93 | Very high | 93.8 | Very high | 127 Ų | 127 | 98.6 Ų | 98.6 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.1 | -43.1 | 175.5 | -72.8 | 170.2 | 179.1 | 0 | 0 | 111.9 | L62 Q63 R68 T69 G70 | L62-E66 WeakPolarHBondContact O-CG 3.22Å; L62-E66 PolarHBondContact O-N 3.5Å; Q63-E66 PolarHBondContact O-N 3.2Å; E66-R68 VanDerWaalsContact C-N 3.31Å; E66-R68 PolarHBondContact O-N 3.48Å; E66-T69 WeakPolarHBondContact CA-OG1 3.45Å; E66-T69 PolarHBondContact O-N 2.93Å; E66-T69 PolarHBondContact O-OG1 3.32Å; E66-G70 PolarHBondContact O-N 3.01Å |
| 67 | G | 90.7 | Very high | 93.7 | Very high | 45 Ų | 45 | 95.2 Ų | 95.2 | 46% | 0.464 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q63 L65 T71 | Q63-G67 PolarHBondContact O-N 2.85Å; L65-G67 VanDerWaalsContact C-N 3.33Å; L65-G67 PolarHBondContact O-N 3.2Å; G67-T71 WeakPolarHBondContact O-CG2 3.32Å; G67-T71 PolarHBondContact O-N 3.38Å |
| 68 | R | 91.7 | Very high | 93.8 | Very high | 171 Ų | 171 | 95.8 Ų | 95.8 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.4 | -42.6 | 177.6 | -71.5 | 170.8 | 61.8 | 156.5 | 1.5 | 112.1 | S64 L65 E66 T71 A72 | S64-R68 WeakPolarHBondContact O-CG 3.42Å; S64-R68 PolarHBondContact O-N 2.85Å; L65-R68 CarbonylContact O-C 3.55Å; L65-R68 WeakPolarHBondContact O-CA 3.43Å; L65-R68 WeakPolarHBondContact O-CB 3.45Å; L65-R68 PolarHBondContact O-N 3.33Å; E66-R68 VanDerWaalsContact C-N 3.31Å; E66-R68 PolarHBondContact O-N 3.48Å; R68-T71 PolarHBondContact O-N 2.82Å; R68-T71 PolarHBondContact O-OG1 2.8Å; R68-A72 PolarHBondContact O-N 2.91Å; R68-A72 VanDerWaalsContact O-N 3.07Å |
| 69 | T | 92.4 | Very high | 93.6 | Very high | 73 Ų | 73 | 93.8 Ų | 93.8 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | L65 E66 T71 A72 E73 | L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 3.48Å; E66-T69 WeakPolarHBondContact CA-OG1 3.45Å; E66-T69 PolarHBondContact O-N 2.93Å; E66-T69 PolarHBondContact O-OG1 3.32Å; T69-T71 VanDerWaalsContact C-N 3.32Å; T69-T71 PolarHBondContact O-N 3.43Å; T69-A72 CarbonylContact O-C 3.52Å; T69-A72 WeakPolarHBondContact O-CA 3.07Å; T69-A72 WeakPolarHBondContact O-CB 3.48Å; T69-A72 PolarHBondContact O-N 2.95Å; T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 3.34Å |
| 70 | G | 91.8 | Very high | 93.6 | Very high | 32 Ų | 32 | 98.1 Ų | 98.1 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | E66 A72 K74 | E66-G70 PolarHBondContact O-N 3.01Å; G70-A72 VanDerWaalsContact C-N 3.33Å; G70-A72 PolarHBondContact O-N 2.81Å; G70-K74 PolarHBondContact O-N 3.24Å |
| 71 | T | 92.4 | Very high | 93.6 | Very high | 80 Ų | 80 | 101.5 Ų | 101.5 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.3 | -31 | 173 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | G67 R68 T69 K75 | G67-T71 WeakPolarHBondContact O-CG2 3.32Å; G67-T71 PolarHBondContact O-N 3.38Å; R68-T71 PolarHBondContact O-N 2.82Å; R68-T71 PolarHBondContact O-OG1 2.8Å; T69-T71 VanDerWaalsContact C-N 3.32Å; T69-T71 PolarHBondContact O-N 3.43Å; T71-K75 VanDerWaalsContact O-CG 3.3Å; T71-K75 WeakPolarHBondContact O-CG 3.38Å; T71-K75 PolarHBondContact O-N 2.89Å |
| 72 | A | 92 | Very high | 93.7 | Very high | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.3 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R68 T69 G70 K74 K75 L76 | R68-A72 PolarHBondContact O-N 2.91Å; R68-A72 VanDerWaalsContact O-N 3.07Å; T69-A72 CarbonylContact O-C 3.52Å; T69-A72 WeakPolarHBondContact O-CA 3.07Å; T69-A72 WeakPolarHBondContact O-CB 3.48Å; T69-A72 PolarHBondContact O-N 2.95Å; G70-A72 VanDerWaalsContact C-N 3.33Å; G70-A72 PolarHBondContact O-N 2.81Å; A72-K74 VanDerWaalsContact C-N 3.35Å; A72-K74 PolarHBondContact O-N 3.38Å; A72-K75 PolarHBondContact O-N 3.42Å; A72-L76 WeakPolarHBondContact O-CG 3.5Å; A72-L76 PolarHBondContact O-N 3.29Å |
| 73 | E | 93.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 96.1 Ų | 96.1 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.1 | -44.6 | 173.8 | -72.7 | 170.6 | -178.3 | 0 | 0 | 111.4 | T69 K75 L76 A77 | T69-E73 WeakPolarHBondContact O-CG 3.49Å; T69-E73 PolarHBondContact O-N 3.34Å; E73-K75 PolarHBondContact O-N 3.01Å; E73-L76 WeakPolarHBondContact O-CB 3.42Å; E73-L76 PolarHBondContact O-N 2.82Å; E73-A77 PolarHBondContact O-N 3.16Å |
| 74 | K | 94.9 | Very high | 93.5 | Very high | 142 Ų | 142 | 94 Ų | 94 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 175 | -175.8 | 173.8 | 179.3 | 174.7 | 0 | 112.4 | G70 A72 L76 A77 D78 | G70-K74 PolarHBondContact O-N 3.24Å; A72-K74 VanDerWaalsContact C-N 3.35Å; A72-K74 PolarHBondContact O-N 3.38Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.14Å; K74-A77 PolarHBondContact O-N 3.36Å; K74-D78 PolarHBondContact O-N 3.38Å |
| 75 | K | 95.2 | Very high | 93.5 | Very high | 139 Ų | 139 | 94.7 Ų | 94.7 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | 176.6 | -72.7 | 172.6 | -177.6 | -178.8 | 0 | 112.1 | T71 A72 E73 D78 C79 | T71-K75 VanDerWaalsContact O-CG 3.3Å; T71-K75 WeakPolarHBondContact O-CG 3.38Å; T71-K75 PolarHBondContact O-N 2.89Å; A72-K75 PolarHBondContact O-N 3.42Å; E73-K75 PolarHBondContact O-N 3.01Å; K75-D78 PolarHBondContact O-N 3.31Å; K75-C79 WeakPolarHBondContact O-CB 3.27Å; K75-C79 PolarHBondContact O-N 2.75Å; K75-C79 PolarHBondContact O-SG 3.42Å |
| 76 | L | 95.5 | Very high | 93.6 | Very high | 109 Ų | 109 | 97 Ų | 97 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 175 | -74.8 | 166.8 | 0 | 0 | 0 | 111.1 | A72 E73 K74 D78 C79 E80 | A72-L76 WeakPolarHBondContact O-CG 3.5Å; A72-L76 PolarHBondContact O-N 3.29Å; E73-L76 WeakPolarHBondContact O-CB 3.42Å; E73-L76 PolarHBondContact O-N 2.82Å; K74-L76 VanDerWaalsContact C-N 3.31Å; K74-L76 PolarHBondContact O-N 3.14Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 2.71Å; L76-C79 WeakPolarHBondContact O-CB 3.49Å; L76-C79 PolarHBondContact O-N 3.25Å; L76-C79 VanDerWaalsContact O-N 3.14Å; L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 3.35Å |
| 77 | A | 94.9 | Very high | 93.5 | Very high | 53 Ų | 53 | 92.5 Ų | 92.5 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E73 K74 C79 E80 K81 | E73-A77 PolarHBondContact O-N 3.16Å; K74-A77 PolarHBondContact O-N 3.36Å; A77-C79 VanDerWaalsContact C-N 3.34Å; A77-E80 PolarHBondContact O-N 2.97Å; A77-K81 PolarHBondContact O-N 2.97Å |
| 78 | D | 95.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 95 Ų | 95 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 174.2 | -69.1 | -28.4 | 0 | 0 | 0 | 111.4 | K74 K75 L76 K81 M82 | K74-D78 PolarHBondContact O-N 3.38Å; K75-D78 PolarHBondContact O-N 3.31Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 2.71Å; D78-K81 PolarHBondContact O-N 3.31Å; D78-M82 WeakPolarHBondContact O-CG 3.44Å; D78-M82 PolarHBondContact O-N 3.25Å; D78-M82 VanDerWaalsContact O-N 3.11Å |
| 79 | C | 93.6 | Very high | 93.6 | Very high | 71 Ų | 71 | 92.3 Ų | 92.3 | 48% | 0.48 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 174.1 | -74.6 | 0 | 0 | 0 | 0 | 112.7 | K75 L76 A77 K81 M82 A83 | K75-C79 WeakPolarHBondContact O-CB 3.27Å; K75-C79 PolarHBondContact O-N 2.75Å; K75-C79 PolarHBondContact O-SG 3.42Å; L76-C79 WeakPolarHBondContact O-CB 3.49Å; L76-C79 PolarHBondContact O-N 3.25Å; L76-C79 VanDerWaalsContact O-N 3.14Å; A77-C79 VanDerWaalsContact C-N 3.34Å; C79-K81 VanDerWaalsContact C-N 3.35Å; C79-M82 PolarHBondContact O-N 3.2Å; C79-A83 PolarHBondContact O-N 2.89Å |
| 80 | E | 94.7 | Very high | 93.6 | Very high | 133 Ų | 133 | 91.9 Ų | 91.9 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -44.2 | 176 | -74.9 | 175.9 | 177.4 | 0 | 0 | 111.2 | L76 A77 M82 A83 V84 | L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 3.35Å; A77-E80 PolarHBondContact O-N 2.97Å; E80-M82 PolarHBondContact O-N 3.02Å; E80-A83 WeakPolarHBondContact O-CB 3.44Å; E80-A83 PolarHBondContact O-N 2.8Å; E80-V84 WeakPolarHBondContact O-CG2 3.49Å; E80-V84 PolarHBondContact O-N 3.48Å |
| 81 | K | 96.2 | Very high | 93.5 | Very high | 130 Ų | 130 | 96.9 Ų | 96.9 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.9 | -47.4 | 176 | -176.3 | 179.8 | 173.8 | -174.5 | 0 | 112.1 | A77 D78 C79 A83 V84 E85 | A77-K81 PolarHBondContact O-N 2.97Å; D78-K81 PolarHBondContact O-N 3.31Å; C79-K81 VanDerWaalsContact C-N 3.35Å; K81-A83 VanDerWaalsContact C-N 3.29Å; K81-A83 PolarHBondContact O-N 2.98Å; K81-V84 PolarHBondContact O-N 3.47Å; K81-E85 WeakPolarHBondContact CE-OE1 3.31Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 2.97Å |
| 82 | M | 95.3 | Very high | 93.4 | Very high | 112 Ų | 112 | 95 Ų | 95 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 176.6 | -72.6 | -173.3 | -70.6 | 0 | 0 | 112.3 | D78 C79 E80 E85 F86 | D78-M82 WeakPolarHBondContact O-CG 3.44Å; D78-M82 PolarHBondContact O-N 3.25Å; D78-M82 VanDerWaalsContact O-N 3.11Å; C79-M82 PolarHBondContact O-N 3.2Å; E80-M82 PolarHBondContact O-N 3.02Å; M82-E85 PolarHBondContact O-N 3.32Å; M82-F86 WeakPolarHBondContact O-CB 3.45Å; M82-F86 PolarHBondContact O-N 3.07Å |
| 83 | A | 92.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 99.1 Ų | 99.1 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C79 E80 K81 F86 G87 | C79-A83 PolarHBondContact O-N 2.89Å; E80-A83 WeakPolarHBondContact O-CB 3.44Å; E80-A83 PolarHBondContact O-N 2.8Å; K81-A83 VanDerWaalsContact C-N 3.29Å; K81-A83 PolarHBondContact O-N 2.98Å; A83-F86 PolarHBondContact O-N 3.25Å; A83-G87 PolarHBondContact O-N 3.12Å |
| 84 | V | 93.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 101.2 Ų | 101.2 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 111 | E80 K81 F86 G87 N88 | E80-V84 WeakPolarHBondContact O-CG2 3.49Å; E80-V84 PolarHBondContact O-N 3.48Å; K81-V84 PolarHBondContact O-N 3.47Å; V84-F86 VanDerWaalsContact C-N 3.31Å; V84-F86 PolarHBondContact O-N 2.92Å; V84-G87 WeakPolarHBondContact O-CA 3.28Å; V84-G87 PolarHBondContact O-N 3.34Å; V84-G87 VanDerWaalsContact O-N 3.12Å; V84-N88 VanDerWaalsContact O-CG 3.29Å; V84-N88 PolarHBondContact O-N 2.9Å; V84-N88 PolarHBondContact O-OD1 2.88Å |
| 85 | E | 93.5 | Very high | 93.2 | Very high | 87 Ų | 87 | 97.4 Ų | 97.4 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.5 | -72.9 | 173.3 | -177.3 | 0 | 0 | 112 | K81 M82 N88 Q89 | K81-E85 WeakPolarHBondContact CE-OE1 3.31Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 2.97Å; M82-E85 PolarHBondContact O-N 3.32Å; E85-N88 PolarHBondContact O-N 3.28Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 2.93Å |
| 86 | F | 94.5 | Very high | 93.1 | Very high | 125 Ų | 125 | 94.9 Ų | 94.9 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 174.6 | -176.3 | -103.5 | 0 | 0 | 0 | 112.3 | M82 A83 V84 Q89 L90 | M82-F86 WeakPolarHBondContact O-CB 3.45Å; M82-F86 PolarHBondContact O-N 3.07Å; A83-F86 PolarHBondContact O-N 3.25Å; V84-F86 VanDerWaalsContact C-N 3.31Å; V84-F86 PolarHBondContact O-N 2.92Å; F86-Q89 PolarHBondContact O-N 3.08Å; F86-L90 HydrophobicContact CD1-CD1 3.86Å; F86-L90 HydrophobicContact CD1-CG 4.34Å; F86-L90 HydrophobicContact CE1-CD1 3.35Å; F86-L90 HydrophobicContact CE1-CG 3.98Å; F86-L90 HydrophobicContact CZ-CD1 3.88Å; F86-L90 HydrophobicContact CZ-CD2 4.27Å; F86-L90 HydrophobicContact CZ-CG 4.11Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 2.96Å |
| 87 | G | 90.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 93.6 Ų | 93.6 | 34% | 0.34 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.8 | -48.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A83 V84 Q89 L90 E91 | A83-G87 PolarHBondContact O-N 3.12Å; V84-G87 WeakPolarHBondContact O-CA 3.28Å; V84-G87 PolarHBondContact O-N 3.34Å; V84-G87 VanDerWaalsContact O-N 3.12Å; G87-Q89 PolarHBondContact O-N 3.49Å; G87-L90 WeakPolarHBondContact O-CB 3.47Å; G87-L90 PolarHBondContact O-N 3.43Å; G87-E91 PolarHBondContact O-N 3.42Å |
| 88 | N | 91.3 | Very high | 92.4 | Very high | 97 Ų | 97 | 92.8 Ų | 92.8 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.7 | -63.9 | -15.7 | 0 | 0 | 0 | 112.1 | V84 E85 L90 E91 G92 | V84-N88 VanDerWaalsContact O-CG 3.29Å; V84-N88 PolarHBondContact O-N 2.9Å; V84-N88 PolarHBondContact O-OD1 2.88Å; E85-N88 PolarHBondContact O-N 3.28Å; N88-L90 VanDerWaalsContact C-N 3.34Å; N88-L90 PolarHBondContact O-N 3.4Å; N88-E91 PolarHBondContact O-N 3.35Å; N88-G92 PolarHBondContact O-N 3.47Å |
| 89 | Q | 92.4 | Very high | 92.2 | Very high | 114 Ų | 114 | 92.4 Ų | 92.4 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 175.4 | -73.8 | 177.7 | 23.8 | 0 | 0 | 112.4 | E85 F86 G87 K93 | E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 2.93Å; F86-Q89 PolarHBondContact O-N 3.08Å; G87-Q89 PolarHBondContact O-N 3.49Å; Q89-K93 WeakPolarHBondContact O-CG 3.44Å; Q89-K93 PolarHBondContact O-N 3.26Å |
| 90 | L | 91.7 | Very high | 91.9 | Very high | 64 Ų | 64 | 92.4 Ų | 92.4 | 34% | 0.335 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 175.1 | -75.5 | 178.9 | 0 | 0 | 0 | 110.7 | F86 G87 N88 G92 K93 W94 | F86-L90 HydrophobicContact CD1-CD1 3.86Å; F86-L90 HydrophobicContact CD1-CG 4.34Å; F86-L90 HydrophobicContact CE1-CD1 3.35Å; F86-L90 HydrophobicContact CE1-CG 3.98Å; F86-L90 HydrophobicContact CZ-CD1 3.88Å; F86-L90 HydrophobicContact CZ-CD2 4.27Å; F86-L90 HydrophobicContact CZ-CG 4.11Å; F86-L90 WeakPolarHBondContact O-CG 3.46Å; F86-L90 PolarHBondContact O-N 2.96Å; G87-L90 WeakPolarHBondContact O-CB 3.47Å; G87-L90 PolarHBondContact O-N 3.43Å; N88-L90 VanDerWaalsContact C-N 3.34Å; N88-L90 PolarHBondContact O-N 3.4Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.2Å; L90-K93 PolarHBondContact O-N 3.23Å; L90-K93 VanDerWaalsContact O-N 3.12Å; L90-W94 VanDerWaalsContact C-CD1 3.48Å; L90-W94 PolarHBondContact O-N 2.9Å |
| 91 | E | 90.5 | Very high | 91.4 | Very high | 137 Ų | 137 | 92 Ų | 92 | 64% | 0.64 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.9 | -44.2 | 179.1 | -170 | 167.1 | -163.2 | 0 | 0 | 112.1 | G87 N88 K93 W94 A95 | G87-E91 PolarHBondContact O-N 3.42Å; N88-E91 PolarHBondContact O-N 3.35Å; E91-K93 PolarHBondContact O-N 2.88Å; E91-W94 PolarHBondContact O-N 2.97Å; E91-A95 PolarHBondContact O-N 3.24Å |
| 92 | G | 90.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 92.3 Ų | 92.3 | 42% | 0.423 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N88 L90 A95 V96 | N88-G92 PolarHBondContact O-N 3.47Å; L90-G92 VanDerWaalsContact C-N 3.33Å; L90-G92 PolarHBondContact O-N 3.2Å; G92-A95 PolarHBondContact O-N 3.01Å; G92-V96 PolarHBondContact O-N 3.48Å |
| 93 | K | 93.1 | Very high | 90.5 | Very high | 134 Ų | 134 | 92.2 Ų | 92.2 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 176.6 | -69.9 | 177.3 | -173 | -179.9 | 0 | 112.4 | Q89 L90 E91 A95 V96 L97 | Q89-K93 WeakPolarHBondContact O-CG 3.44Å; Q89-K93 PolarHBondContact O-N 3.26Å; L90-K93 PolarHBondContact O-N 3.23Å; L90-K93 VanDerWaalsContact O-N 3.12Å; E91-K93 PolarHBondContact O-N 2.88Å; K93-A95 VanDerWaalsContact C-N 3.32Å; K93-V96 PolarHBondContact O-N 3.33Å; K93-L97 PolarHBondContact O-N 3.08Å |
| 94 | W | 92.4 | Very high | 90.1 | Very high | 170 Ų | 170 | 96.8 Ų | 96.8 | 64% | 0.644 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -35.8 | 176.3 | -72.4 | 120.3 | 0 | 0 | 0 | 112 | L90 E91 L97 G98 | L90-W94 VanDerWaalsContact C-CD1 3.48Å; L90-W94 PolarHBondContact O-N 2.9Å; E91-W94 PolarHBondContact O-N 2.97Å; W94-L97 HydrophobicContact CE3-CD1 3.89Å; W94-L97 HydrophobicContact CZ3-CD1 4.02Å; W94-L97 PolarHBondContact O-N 3.35Å; W94-G98 PolarHBondContact O-N 3.43Å |
| 95 | A | 91.7 | Very high | 89.8 | Confident | 63 Ų | 63 | 93.7 Ų | 93.7 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | E91 G92 K93 L97 G98 T99 | E91-A95 PolarHBondContact O-N 3.24Å; G92-A95 PolarHBondContact O-N 3.01Å; K93-A95 VanDerWaalsContact C-N 3.32Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 3.38Å; A95-G98 WeakPolarHBondContact O-CA 3.29Å; A95-G98 PolarHBondContact O-N 3.39Å; A95-G98 VanDerWaalsContact O-N 3.09Å; A95-T99 PolarHBondContact O-N 3.44Å; A95-T99 VanDerWaalsContact O-N 3.09Å |
| 96 | V | 91.7 | Very high | 89.3 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | G92 K93 G98 T99 L100 | G92-V96 PolarHBondContact O-N 3.48Å; K93-V96 PolarHBondContact O-N 3.33Å; V96-G98 VanDerWaalsContact C-N 3.27Å; V96-G98 PolarHBondContact O-N 3.44Å; V96-T99 PolarHBondContact O-N 2.75Å; V96-T99 PolarHBondContact O-OG1 2.96Å; V96-L100 HydrophobicContact CG1-CD1 4.28Å; V96-L100 WeakPolarHBondContact O-CG 3.34Å; V96-L100 PolarHBondContact O-N 3.43Å; V96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 88.7 | Confident | 88.5 | Confident | 81 Ų | 81 | 92.2 Ų | 92.2 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 173.5 | -74.5 | 172 | 0 | 0 | 0 | 111.9 | K93 W94 A95 L100 L101 | K93-L97 PolarHBondContact O-N 3.08Å; W94-L97 HydrophobicContact CE3-CD1 3.89Å; W94-L97 HydrophobicContact CZ3-CD1 4.02Å; W94-L97 PolarHBondContact O-N 3.35Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 3.38Å; L97-L100 HydrophobicContact CD2-CD1 4.44Å; L97-L100 PolarHBondContact O-N 2.79Å; L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 3.37Å |
| 98 | G | 87.9 | Confident | 88.1 | Confident | 37 Ų | 37 | 96.1 Ų | 96.1 | 38% | 0.381 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | W94 A95 V96 L101 Q102 | W94-G98 PolarHBondContact O-N 3.43Å; A95-G98 WeakPolarHBondContact O-CA 3.29Å; A95-G98 PolarHBondContact O-N 3.39Å; A95-G98 VanDerWaalsContact O-N 3.09Å; V96-G98 VanDerWaalsContact C-N 3.27Å; V96-G98 PolarHBondContact O-N 3.44Å; G98-L101 PolarHBondContact O-N 3.39Å; G98-Q102 PolarHBondContact O-N 2.75Å; G98-Q102 VanDerWaalsContact O-N 3.11Å |
| 99 | T | 90.5 | Very high | 87.5 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67 | -43.8 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | A95 V96 L101 Q102 E103 | A95-T99 PolarHBondContact O-N 3.44Å; A95-T99 VanDerWaalsContact O-N 3.09Å; V96-T99 PolarHBondContact O-N 2.75Å; V96-T99 PolarHBondContact O-OG1 2.96Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 PolarHBondContact O-N 2.82Å; T99-Q102 WeakPolarHBondContact O-CB 3.49Å; T99-Q102 PolarHBondContact O-N 3.16Å; T99-Q102 VanDerWaalsContact O-N 3.07Å; T99-E103 PolarHBondContact O-N 3.26Å |
| 100 | L | 87.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 101.7 Ų | 101.7 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 175.3 | -73 | 169.7 | 0 | 0 | 0 | 111.2 | V96 L97 Q102 E103 Y104 | V96-L100 HydrophobicContact CG1-CD1 4.28Å; V96-L100 WeakPolarHBondContact O-CG 3.34Å; V96-L100 PolarHBondContact O-N 3.43Å; V96-L100 VanDerWaalsContact O-N 3.08Å; L97-L100 HydrophobicContact CD2-CD1 4.44Å; L97-L100 PolarHBondContact O-N 2.79Å; L100-Q102 VanDerWaalsContact C-N 3.25Å; L100-Q102 PolarHBondContact O-N 3.21Å; L100-E103 PolarHBondContact O-N 3.04Å; L100-Y104 WeakPolarHBondContact O-CD2 3.47Å; L100-Y104 PolarHBondContact O-N 3.36Å |
| 101 | L | 84.1 | Confident | 85.8 | Confident | 126 Ų | 126 | 103.5 Ų | 103.5 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -35.2 | 176.9 | -74.5 | 170.4 | 0 | 0 | 0 | 112.4 | L97 G98 T99 G105 | L97-L101 WeakPolarHBondContact O-CB 3.49Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 3.37Å; G98-L101 PolarHBondContact O-N 3.39Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 PolarHBondContact O-N 2.82Å; L101-G105 PolarHBondContact O-N 2.85Å |
| 102 | Q | 85.2 | Confident | 84.9 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 174.9 | -175.3 | 173.7 | -7 | 0 | 0 | 111.8 | G98 T99 L100 G105 L106 | G98-Q102 PolarHBondContact O-N 2.75Å; G98-Q102 VanDerWaalsContact O-N 3.11Å; T99-Q102 WeakPolarHBondContact O-CB 3.49Å; T99-Q102 PolarHBondContact O-N 3.16Å; T99-Q102 VanDerWaalsContact O-N 3.07Å; L100-Q102 VanDerWaalsContact C-N 3.25Å; L100-Q102 PolarHBondContact O-N 3.21Å; Q102-G105 PolarHBondContact O-N 3.41Å; Q102-L106 WeakPolarHBondContact O-CG 3.46Å; Q102-L106 PolarHBondContact O-N 3.09Å |
| 103 | E | 86.9 | Confident | 84.1 | Confident | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.5 | -70.5 | 179.2 | 172.1 | 0 | 0 | 112 | T99 L100 G105 L106 L107 | T99-E103 PolarHBondContact O-N 3.26Å; L100-E103 PolarHBondContact O-N 3.04Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.41Å; E103-L106 WeakPolarHBondContact O-CB 3.38Å; E103-L106 PolarHBondContact O-N 3.46Å; E103-L106 VanDerWaalsContact O-N 3.09Å; E103-L107 WeakPolarHBondContact O-CG 3.09Å; E103-L107 PolarHBondContact O-N 3.4Å |
| 104 | Y | 85.1 | Confident | 82.5 | Confident | 159 Ų | 159 | 101.5 Ų | 101.5 | 62% | 0.624 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -41.4 | 173.6 | -86.9 | -73.8 | 0 | 0 | 0 | 111.8 | L100 L106 L107 Q108 | L100-Y104 WeakPolarHBondContact O-CD2 3.47Å; L100-Y104 PolarHBondContact O-N 3.36Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.05Å; Y104-L107 PolarHBondContact O-N 2.69Å; Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 PolarHBondContact O-N 2.72Å |
| 105 | G | 84.9 | Confident | 81.3 | Confident | 24 Ų | 24 | 97.7 Ų | 97.7 | 25% | 0.247 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L101 Q102 E103 R109 | L101-G105 PolarHBondContact O-N 2.85Å; Q102-G105 PolarHBondContact O-N 3.41Å; E103-G105 VanDerWaalsContact C-N 3.28Å; E103-G105 PolarHBondContact O-N 3.41Å; G105-R109 WeakPolarHBondContact O-CG 3.44Å; G105-R109 PolarHBondContact O-N 3.25Å |
| 106 | L | 84.2 | Confident | 80 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70 | -45.4 | 174.9 | -71.5 | 167.2 | 0 | 0 | 0 | 111.8 | Q102 E103 Y104 Q108 R109 R110 | Q102-L106 WeakPolarHBondContact O-CG 3.46Å; Q102-L106 PolarHBondContact O-N 3.09Å; E103-L106 WeakPolarHBondContact O-CB 3.38Å; E103-L106 PolarHBondContact O-N 3.46Å; E103-L106 VanDerWaalsContact O-N 3.09Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 3.05Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.93Å; L106-R109 PolarHBondContact O-N 2.89Å; L106-R110 WeakPolarHBondContact O-CG 3.29Å; L106-R110 PolarHBondContact O-N 2.8Å |
| 107 | L | 77.3 | Confident | 78.4 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 175.6 | -75.7 | 167.7 | 0 | 0 | 0 | 111.3 | E103 Y104 R110 L111 | E103-L107 WeakPolarHBondContact O-CG 3.09Å; E103-L107 PolarHBondContact O-N 3.4Å; Y104-L107 PolarHBondContact O-N 2.69Å; L107-R110 WeakPolarHBondContact O-CB 3.36Å; L107-R110 PolarHBondContact O-N 2.8Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 PolarHBondContact O-N 2.73Å |
| 108 | Q | 83 | Confident | 76.7 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 178 | -167.9 | 175.3 | -21.9 | 0 | 0 | 112.1 | Y104 L106 R110 L111 E112 | Y104-Q108 WeakPolarHBondContact O-CB 3.47Å; Y104-Q108 PolarHBondContact O-N 2.72Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.93Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-R110 PolarHBondContact O-N 3.31Å; Q108-L111 WeakPolarHBondContact O-CB 3.36Å; Q108-L111 PolarHBondContact O-N 3.33Å; Q108-E112 PolarHBondContact NE2-OE1 3.36Å; Q108-E112 WeakPolarHBondContact O-CG 3.42Å; Q108-E112 PolarHBondContact O-N 2.99Å |
| 109 | R | 78.1 | Confident | 75.3 | Confident | 149 Ų | 149 | 107.7 Ų | 107.7 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -38.4 | 173.5 | -70.7 | -177.2 | -146.9 | 122.1 | 6.4 | 112.4 | G105 L106 L111 E112 N113 | G105-R109 WeakPolarHBondContact O-CG 3.44Å; G105-R109 PolarHBondContact O-N 3.25Å; L106-R109 PolarHBondContact O-N 2.89Å; R109-L111 VanDerWaalsContact C-N 3.35Å; R109-E112 PolarHBondContact O-N 2.74Å; R109-N113 WeakPolarHBondContact O-CB 3.38Å; R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 3.28Å |
| 110 | R | 78.5 | Confident | 73.8 | Confident | 179 Ų | 179 | 109.9 Ų | 109.9 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 174.5 | -73.4 | 178.5 | 175.5 | -174.5 | -1.4 | 110.9 | L106 L107 Q108 N113 V114 | L106-R110 WeakPolarHBondContact O-CG 3.29Å; L106-R110 PolarHBondContact O-N 2.8Å; L107-R110 WeakPolarHBondContact O-CB 3.36Å; L107-R110 PolarHBondContact O-N 2.8Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-R110 PolarHBondContact O-N 3.31Å; R110-N113 PolarHBondContact O-N 2.93Å; R110-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 2.89Å |
| 111 | L | 69.5 | Low | 71.9 | Confident | 102 Ų | 102 | 117.8 Ų | 117.8 | 53% | 0.534 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -48.1 | 176.4 | -165 | 96.2 | 0 | 0 | 0 | 111.4 | L107 Q108 R109 N113 V114 E115 | L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 PolarHBondContact O-N 2.73Å; Q108-L111 WeakPolarHBondContact O-CB 3.36Å; Q108-L111 PolarHBondContact O-N 3.33Å; R109-L111 VanDerWaalsContact C-N 3.35Å; L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 2.86Å; L111-V114 PolarHBondContact O-N 3.07Å; L111-V114 VanDerWaalsContact O-N 3.14Å; L111-E115 WeakPolarHBondContact O-CG 3.44Å; L111-E115 PolarHBondContact O-N 3.11Å |
| 112 | E | 71.4 | Confident | 70.1 | Confident | 89 Ų | 89 | 118.2 Ų | 118.2 | 42% | 0.416 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -39.1 | 177 | -75.1 | 172.6 | -167.3 | 0 | 0 | 111.6 | Q108 R109 E115 N116 | Q108-E112 PolarHBondContact NE2-OE1 3.36Å; Q108-E112 WeakPolarHBondContact O-CG 3.42Å; Q108-E112 PolarHBondContact O-N 2.99Å; R109-E112 PolarHBondContact O-N 2.74Å; E112-E115 PolarHBondContact O-N 3.35Å; E112-N116 WeakPolarHBondContact O-CB 3.43Å; E112-N116 PolarHBondContact O-N 3.06Å; E112-N116 PolarHBondContact O-ND2 2.87Å |
| 113 | N | 73.6 | Confident | 68.1 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 173.6 | -76.3 | -7.3 | 0 | 0 | 0 | 111.7 | R109 R110 L111 N116 L117 | R109-N113 WeakPolarHBondContact O-CB 3.38Å; R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 3.28Å; R110-N113 PolarHBondContact O-N 2.93Å; L111-N113 VanDerWaalsContact C-N 3.29Å; L111-N113 PolarHBondContact O-N 2.86Å; N113-N116 PolarHBondContact O-N 2.87Å; N113-L117 VanDerWaalsContact O-CG 3.28Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.31Å |
| 114 | V | 60.2 | Low | 65.8 | Low | 81 Ų | 81 | 123.5 Ų | 123.5 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.1 | -43.4 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | R110 L111 N116 L117 L118 | R110-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 2.89Å; L111-V114 PolarHBondContact O-N 3.07Å; L111-V114 VanDerWaalsContact O-N 3.14Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.18Å; V114-L117 WeakPolarHBondContact O-CB 3.32Å; V114-L117 PolarHBondContact O-N 3.23Å; V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.41Å; V114-L118 WeakPolarHBondContact O-CG 3.41Å; V114-L118 PolarHBondContact O-N 3.39Å |
| 115 | E | 66.3 | Low | 63.9 | Low | 90 Ų | 90 | 123 Ų | 123 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.9 | -40.7 | 175.3 | -75.3 | -175.8 | -175.5 | 0 | 0 | 112.1 | L111 E112 L118 R119 | L111-E115 WeakPolarHBondContact O-CG 3.44Å; L111-E115 PolarHBondContact O-N 3.11Å; E112-E115 PolarHBondContact O-N 3.35Å; E115-L118 PolarHBondContact O-N 2.92Å; E115-R119 WeakPolarHBondContact O-CB 3.28Å; E115-R119 WeakPolarHBondContact O-CG 3.27Å; E115-R119 PolarHBondContact O-N 3.32Å |
| 116 | N | 65.2 | Low | 61.6 | Low | 96 Ų | 96 | 127.9 Ų | 127.9 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.3 | -39.4 | 175.9 | -73.6 | -35.8 | 0 | 0 | 0 | 111.7 | E112 N113 V114 R119 N120 | E112-N116 WeakPolarHBondContact O-CB 3.43Å; E112-N116 PolarHBondContact O-N 3.06Å; E112-N116 PolarHBondContact O-ND2 2.87Å; N113-N116 PolarHBondContact O-N 2.87Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.18Å; N116-R119 PolarHBondContact O-N 2.96Å; N116-N120 PolarHBondContact O-N 3.33Å |
| 117 | L | 57.8 | Low | 59.2 | Low | 86 Ų | 86 | 135.3 Ų | 135.3 | 45% | 0.45 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.3 | -44.7 | 173.2 | -69.2 | 173.8 | 0 | 0 | 0 | 111.2 | N113 V114 N120 F123 | N113-L117 VanDerWaalsContact O-CG 3.28Å; N113-L117 WeakPolarHBondContact O-CG 3.42Å; N113-L117 PolarHBondContact O-N 3.31Å; V114-L117 WeakPolarHBondContact O-CB 3.32Å; V114-L117 PolarHBondContact O-N 3.23Å; L117-N120 PolarHBondContact O-N 3.1Å; L117-F123 HydrophobicContact CB-CD2 3.96Å; L117-F123 HydrophobicContact CB-CE2 3.99Å; L117-F123 HydrophobicContact CD1-CE2 4.19Å; L117-F123 HydrophobicContact CD1-CZ 4.41Å; L117-F123 HydrophobicContact CD2-CD2 4.31Å; L117-F123 HydrophobicContact CD2-CE2 3.92Å; L117-F123 HydrophobicContact CG-CE2 4.24Å |
| 118 | L | 53.7 | Low | 57.2 | Low | 109 Ų | 109 | 136.1 Ų | 136.1 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68 | -34.7 | 177.6 | -68.1 | 173.1 | 0 | 0 | 0 | 113.1 | V114 E115 | V114-L118 HydrophobicContact CG1-CD1 4.07Å; V114-L118 HydrophobicContact CG1-CG 4.41Å; V114-L118 WeakPolarHBondContact O-CG 3.41Å; V114-L118 PolarHBondContact O-N 3.39Å; E115-L118 PolarHBondContact O-N 2.92Å |
| 119 | R | 58.8 | Low | 54.9 | Low | 186 Ų | 186 | 135.1 Ų | 135.1 | 70% | 0.702 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.3 | -34.9 | 176.6 | -79.7 | -178.2 | -171.2 | -89.2 | -1.8 | 112.4 | E115 N116 R121 | E115-R119 WeakPolarHBondContact O-CB 3.28Å; E115-R119 WeakPolarHBondContact O-CG 3.27Å; E115-R119 PolarHBondContact O-N 3.32Å; N116-R119 PolarHBondContact O-N 2.96Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.44Å |
| 120 | N | 57.3 | Low | 52.7 | Low | 118 Ų | 118 | 134.7 Ų | 134.7 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -70 | 93.5 | 168.1 | -109.5 | -11.3 | 0 | 0 | 0 | 107.3 | N116 L117 N122 F123 | N116-N120 PolarHBondContact O-N 3.33Å; L117-N120 PolarHBondContact O-N 3.1Å; N120-N122 PolarHBondContact O-N 3.37Å; N120-F123 PolarHBondContact O-N 2.84Å |
| 121 | R | 49.5 | Very low | 50.9 | Low | 237 Ų | 237 | 129.8 Ų | 129.8 | 89% | 0.894 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | 1.2 | -174.5 | -59 | 178.7 | 90.9 | 171.6 | 6.7 | 115.9 | R119 F123 | R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.44Å; R121-F123 VanDerWaalsContact C-N 3.31Å |
| 122 | N | 45.5 | Very low | 49.4 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 3.3 | 172.8 | -61.6 | -9.3 | 0 | 0 | 0 | 112.9 | N120 W124 | N120-N122 PolarHBondContact O-N 3.37Å; N122-W124 PolarHBondContact O-N 3.13Å |
| 123 | F | 43.4 | Very low | 48 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -78.4 | 110.9 | 171.1 | -131.2 | -96.4 | 0 | 0 | 0 | 109.7 | L117 N120 R121 I125 | L117-F123 HydrophobicContact CB-CD2 3.96Å; L117-F123 HydrophobicContact CB-CE2 3.99Å; L117-F123 HydrophobicContact CD1-CE2 4.19Å; L117-F123 HydrophobicContact CD1-CZ 4.41Å; L117-F123 HydrophobicContact CD2-CD2 4.31Å; L117-F123 HydrophobicContact CD2-CE2 3.92Å; L117-F123 HydrophobicContact CG-CE2 4.24Å; N120-F123 PolarHBondContact O-N 2.84Å; R121-F123 VanDerWaalsContact C-N 3.31Å; F123-I125 VanDerWaalsContact C-N 3.32Å; F123-I125 PolarHBondContact O-N 2.74Å |
| 124 | W | 39.1 | Very low | 46.2 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 92% | 0.917 | 67% | 0.669 | S | S | * | * | trans | -58 | 85.6 | -179.7 | -55.7 | 87.1 | 0 | 0 | 0 | 110.9 | N122 L126 | N122-W124 PolarHBondContact O-N 3.13Å; W124-L126 PolarHBondContact O-N 2.99Å | ||
| 125 | I | 44.6 | Very low | 44.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 111.8 | 164.9 | -61.6 | 173.2 | 0 | 0 | 0 | 105.2 | F123 R127 | F123-I125 VanDerWaalsContact C-N 3.32Å; F123-I125 PolarHBondContact O-N 2.74Å; I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.35Å | ||
| 126 | L | 36.2 | Very low | 43.3 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 67% | 0.665 | 70% | 0.699 | S | S | * | * | trans | -41.6 | 96.6 | 168.4 | -75 | 160.9 | 0 | 0 | 0 | 108.6 | W124 L128 C149 | W124-L126 PolarHBondContact O-N 2.99Å; L126-L128 PolarHBondContact O-N 3.08Å; L126-C149 HydrophobicContact CD2-CB 4.24Å | ||
| 127 | R | 34.5 | Very low | 41.9 | Very low | 237 Ų | 237 | 136.5 Ų | 136.5 | 89% | 0.894 | 71% | 0.709 | S | S | * | * | trans | -78.2 | 97 | -179.4 | -155.1 | 175.4 | -171.5 | 151.7 | 0.1 | 104.4 | I125 | I125-R127 VanDerWaalsContact C-N 3.3Å; I125-R127 PolarHBondContact O-N 3.35Å | ||
| 128 | L | 35.7 | Very low | 40.9 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | trans | -48.9 | 128.6 | 170.8 | -89.6 | 82.7 | 0 | 0 | 0 | 107.5 | L126 S132 | L126-L128 PolarHBondContact O-N 3.08Å; L128-S132 WeakPolarHBondContact CD2-OG 3.48Å | ||
| 129 | P | 33 | Very low | 39.8 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 62% | 0.617 | 74% | 0.738 | S | S | * | * | trans | -53.2 | 144.6 | -179.1 | -24.5 | 31.7 | 0 | 0 | 0 | 110.9 | G131 S132 | P129-G131 PolarHBondContact O-N 2.97Å; P129-S132 PolarHBondContact O-N 3.17Å; P129-S132 PolarHBondContact O-OG 3.24Å | ||
| 130 | P | 33.7 | Very low | 38.4 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 111.8 | 176.2 | 24.3 | -31.1 | 0 | 0 | 0 | 109.1 | ||
| 131 | G | 39.1 | Very low | 37 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138 | -18.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | P129 K133 | P129-G131 PolarHBondContact O-N 2.97Å; G131-K133 PolarHBondContact O-N 2.95Å |
| 132 | S | 39.1 | Very low | 36.2 | Very low | 63 Ų | 63 | 137.8 Ų | 137.8 | 44% | 0.441 | 74% | 0.741 | S | S | . | * | trans | -81.3 | 106.9 | 177.1 | 57 | 0 | 0 | 0 | 0 | 110.6 | L128 P129 G134 | L128-S132 WeakPolarHBondContact CD2-OG 3.48Å; P129-S132 PolarHBondContact O-N 3.17Å; P129-S132 PolarHBondContact O-OG 3.24Å; S132-G134 PolarHBondContact O-N 2.97Å | ||
| 133 | K | 41 | Very low | 35.7 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | -70.1 | 67.3 | 173.7 | -66.6 | -179 | 179 | 177.5 | 0 | 111.2 | G131 E135 | G131-K133 PolarHBondContact O-N 2.95Å; K133-E135 PolarHBondContact O-N 3.11Å | ||
| 134 | G | 37 | Very low | 35.2 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 52.2 | 12.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119 | S132 A136 | S132-G134 PolarHBondContact O-N 2.97Å; G134-A136 PolarHBondContact O-N 3.41Å |
| 135 | E | 32.6 | Very low | 35.1 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -87.7 | 113.2 | -179.2 | -80.7 | 171.9 | 167.7 | 0 | 0 | 108.9 | K133 | K133-E135 PolarHBondContact O-N 3.11Š| ||
| 136 | A | 32.1 | Very low | 34.7 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -55.6 | 125.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | G134 K138 | G134-A136 PolarHBondContact O-N 3.41Å; A136-K138 PolarHBondContact O-N 3.29Å; A136-K138 VanDerWaalsContact O-N 3.08Å | ||
| 137 | P | 36.9 | Very low | 34.7 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -57.5 | 117.6 | -179.5 | -24.5 | 33.4 | 0 | 0 | 0 | 110.6 | V139 | P137-V139 HydrophobicContact CB-CG2 3.94Å; P137-V139 PolarHBondContact O-N 3.2Å | ||
| 138 | K | 35.5 | Very low | 34.9 | Very low | 209 Ų | 209 | 127.3 Ų | 127.3 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -72.3 | 83.3 | 169.1 | -77.5 | 172 | 177.1 | 174.2 | 0 | 107.7 | A136 S140 | A136-K138 PolarHBondContact O-N 3.29Å; A136-K138 VanDerWaalsContact O-N 3.08Å; K138-S140 PolarHBondContact O-N 3.4Å; K138-S140 VanDerWaalsContact O-N 3.12Å | ||
| 139 | V | 32 | Very low | 35.3 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | -78.8 | 99.5 | -177.7 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | P137 | P137-V139 HydrophobicContact CB-CG2 3.94Å; P137-V139 PolarHBondContact O-N 3.2Å | ||
| 140 | S | 28.8 | Very low | 35.5 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -113.7 | 87.1 | 154.7 | -57 | 0 | 0 | 0 | 0 | 106.4 | K138 | K138-S140 PolarHBondContact O-N 3.4Å; K138-S140 VanDerWaalsContact O-N 3.12Å | ||
| 141 | R | 28.6 | Very low | 36.6 | Very low | 232 Ų | 232 | 121.9 Ų | 121.9 | 88% | 0.875 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -172 | 150.6 | 165.6 | -110.3 | 153.8 | -161.7 | 158.3 | 4.8 | 115.3 | ||
| 142 | S | 31.8 | Very low | 37.5 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | trans | -46.8 | 137.2 | 178.3 | 43.5 | 0 | 0 | 0 | 0 | 113.4 | E144 | S142-E144 PolarHBondContact O-N 3Š| ||
| 143 | L | 34.7 | Very low | 38.3 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -63.4 | 15.9 | -169.6 | -146.1 | 92.1 | 0 | 0 | 0 | 116.3 | ||
| 144 | E | 33.6 | Very low | 38.9 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -112.4 | 106.8 | -178.1 | -79.7 | 173.2 | 153.1 | 0 | 0 | 109.1 | S142 | S142-E144 PolarHBondContact O-N 3Š|
| 145 | N | 35.9 | Very low | 40.3 | Very low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 83.7 | 135.2 | 178.4 | -53.9 | -29.9 | 0 | 0 | 0 | 115.6 | ||
| 146 | D | 36.3 | Very low | 41.9 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 89% | 0.888 | 67% | 0.668 | S | S | * | * | trans | 91.4 | 65.4 | 164.5 | -45.4 | -26.4 | 0 | 0 | 0 | 117.6 | ||||
| 147 | G | 37.2 | Very low | 43.7 | Very low | 51 Ų | 51 | 127.2 Ų | 127.2 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | trans | -153 | 12.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | C149 Y166 | G147-C149 PolarHBondContact O-N 3.19Å; G147-Y166 PolarHBondContact O-OH 2.99Å | ||
| 148 | V | 39.3 | Very low | 45.1 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 56% | 0.564 | 64% | 0.643 | S | S | * | * | trans | -83.6 | 104.5 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | F150 | V148-F150 HydrophobicContact CG1-CB 3.94Å; V148-F150 HydrophobicContact CG1-CD2 4.37Å; V148-F150 WeakPolarHBondContact CG1-O 3.49Å; V148-F150 PolarHBondContact O-N 3.39Å | ||
| 149 | C | 43.8 | Very low | 46.8 | Very low | 85 Ų | 85 | 119.1 Ų | 119.1 | 57% | 0.574 | 63% | 0.626 | S | S | * | * | trans | -71.9 | 24 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 113.5 | L126 G147 | L126-C149 HydrophobicContact CD2-CB 4.24Å; G147-C149 PolarHBondContact O-N 3.19Å | ||
| 150 | F | 37.5 | Very low | 48.6 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 32% | 0.32 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -131.5 | 141.7 | -179.9 | -63.2 | -81.2 | 0 | 0 | 0 | 108 | V148 E154 W155 L158 | V148-F150 HydrophobicContact CG1-CB 3.94Å; V148-F150 HydrophobicContact CG1-CD2 4.37Å; V148-F150 WeakPolarHBondContact CG1-O 3.49Å; V148-F150 PolarHBondContact O-N 3.39Å; F150-E154 HydrophobicContact CB-CB 4.09Å; F150-E154 HydrophobicContact CD1-CB 4.02Å; F150-W155 HydrophobicContact CB-CB 4.28Å; F150-W155 HydrophobicContact CD2-CE3 4.11Å; F150-L158 HydrophobicContact CD1-CD1 4.49Å; F150-L158 HydrophobicContact CE1-CD1 4.3Å; F150-L158 HydrophobicContact CE2-CD1 4.4Å; F150-L158 HydrophobicContact CZ-CD1 4.25Å |
| 151 | T | 55.9 | Low | 50.6 | Low | 79 Ų | 79 | 121.4 Ų | 121.4 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | trans | -61.7 | 151.5 | 159.4 | 57.7 | 0 | 0 | 0 | 0 | 109.1 | Q153 E154 W155 | T151-Q153 PolarHBondContact O-N 3.43Å; T151-Q153 VanDerWaalsContact O-N 3.1Å; T151-E154 PolarHBondContact N-OE2 3.08Å; T151-E154 PolarHBondContact O-N 2.96Å; T151-E154 WeakPolarHBondContact OG1-CG 3.42Å; T151-E154 PolarHBondContact OG1-N 3.49Å; T151-E154 PolarHBondContact OG1-OE2 2.85Å; T151-W155 PolarHBondContact O-N 3.35Å | ||
| 152 | E | 57.8 | Low | 52.2 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 81% | 0.808 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -51.1 | -37.4 | 176.5 | -87.2 | -176.7 | 149.7 | 0 | 0 | 111.9 | W155 E156 | E152-W155 PolarHBondContact O-N 3.09Å; E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 3.43Å |
| 153 | Q | 55.6 | Low | 54.2 | Low | 148 Ų | 148 | 110.5 Ų | 110.5 | 69% | 0.692 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.5 | -40.7 | 176.6 | -69.2 | 179.3 | -3.3 | 0 | 0 | 113.2 | T151 N157 | T151-Q153 PolarHBondContact O-N 3.43Å; T151-Q153 VanDerWaalsContact O-N 3.1Å; Q153-N157 PolarHBondContact O-N 2.91Å; Q153-N157 VanDerWaalsContact O-N 3.17Å; Q153-N157 PolarHBondContact O-ND2 2.92Å |
| 154 | E | 53.7 | Low | 55.8 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 176.4 | -73.7 | 164.6 | 151.1 | 0 | 0 | 111.4 | F150 T151 N157 L158 | F150-E154 HydrophobicContact CB-CB 4.09Å; F150-E154 HydrophobicContact CD1-CB 4.02Å; T151-E154 PolarHBondContact N-OE2 3.08Å; T151-E154 PolarHBondContact O-N 2.96Å; T151-E154 WeakPolarHBondContact OG1-CG 3.42Å; T151-E154 PolarHBondContact OG1-N 3.49Å; T151-E154 PolarHBondContact OG1-OE2 2.85Å; E154-N157 PolarHBondContact O-N 3.32Å; E154-L158 PolarHBondContact O-N 3.43Å |
| 155 | W | 66.6 | Low | 57.1 | Low | 69 Ų | 69 | 103.4 Ų | 103.4 | 26% | 0.261 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 175.3 | -178.1 | -103.5 | 0 | 0 | 0 | 111.9 | F150 T151 E152 N157 L158 K163 Y166 | F150-W155 HydrophobicContact CB-CB 4.28Å; F150-W155 HydrophobicContact CD2-CE3 4.11Å; T151-W155 PolarHBondContact O-N 3.35Å; E152-W155 PolarHBondContact O-N 3.09Å; W155-N157 VanDerWaalsContact C-N 3.26Å; W155-N157 PolarHBondContact O-N 3.15Å; W155-L158 HydrophobicContact CD2-CD1 4.34Å; W155-L158 HydrophobicContact CE3-CD1 3.54Å; W155-L158 HydrophobicContact CZ3-CD1 3.91Å; W155-L158 WeakPolarHBondContact O-CB 3.34Å; W155-L158 PolarHBondContact O-N 3.08Å; W155-K163 HydrophobicContact CD2-CG 4.38Å; W155-K163 HydrophobicContact CE3-CG 4.5Å; W155-K163 HydrophobicContact CH2-CB 3.75Å; W155-K163 HydrophobicContact CH2-CG 3.78Å; W155-K163 HydrophobicContact CZ2-CB 3.78Å; W155-K163 HydrophobicContact CZ2-CD 4.04Å; W155-K163 HydrophobicContact CZ2-CG 3.63Å; W155-K163 HydrophobicContact CZ3-CG 4.22Å; W155-K163 WeakPolarHBondContact O-CE 3.25Å; W155-K163 PolarHBondContact O-NZ 2.81Å; W155-Y166 HydrophobicContact CH2-CD1 4.04Å; W155-Y166 AromaticContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CG 4.34Å |
| 156 | E | 67.5 | Low | 58.7 | Low | 148 Ų | 148 | 99.7 Ų | 99.7 | 69% | 0.692 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.2 | -38.3 | 174.8 | -78 | -174.2 | 167.1 | 0 | 0 | 112.1 | E152 L158 | E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 3.43Å; E156-L158 PolarHBondContact O-N 3.09Å |
| 157 | N | 69.3 | Low | 60.3 | Low | 138 Ų | 138 | 97.2 Ų | 97.2 | 74% | 0.738 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.4 | 178.5 | -71.8 | -28.4 | 0 | 0 | 0 | 114.6 | Q153 E154 W155 | Q153-N157 PolarHBondContact O-N 2.91Å; Q153-N157 VanDerWaalsContact O-N 3.17Å; Q153-N157 PolarHBondContact O-ND2 2.92Å; E154-N157 PolarHBondContact O-N 3.32Å; W155-N157 VanDerWaalsContact C-N 3.26Å; W155-N157 PolarHBondContact O-N 3.15Å |
| 158 | L | 65.8 | Low | 61.7 | Low | 32 Ų | 32 | 98.3 Ų | 98.3 | 17% | 0.168 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -76.8 | 138.3 | 176.9 | -70.4 | 169 | 0 | 0 | 0 | 111.6 | F150 E154 W155 E156 Q162 K163 | F150-L158 HydrophobicContact CD1-CD1 4.49Å; F150-L158 HydrophobicContact CE1-CD1 4.3Å; F150-L158 HydrophobicContact CE2-CD1 4.4Å; F150-L158 HydrophobicContact CZ-CD1 4.25Å; E154-L158 PolarHBondContact O-N 3.43Å; W155-L158 HydrophobicContact CD2-CD1 4.34Å; W155-L158 HydrophobicContact CE3-CD1 3.54Å; W155-L158 HydrophobicContact CZ3-CD1 3.91Å; W155-L158 WeakPolarHBondContact O-CB 3.34Å; W155-L158 PolarHBondContact O-N 3.08Å; E156-L158 PolarHBondContact O-N 3.09Å; L158-Q162 HydrophobicContact CB-CB 4.32Å; L158-Q162 HydrophobicContact CD2-CB 4.11Å; L158-K163 HydrophobicContact CB-CG 3.9Å; L158-K163 WeakPolarHBondContact O-CE 3.44Å; L158-K163 PolarHBondContact O-NZ 3.4Å |
| 159 | E | 70.7 | Confident | 63 | Low | 119 Ų | 119 | 97.3 Ų | 97.3 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | trans | -66.2 | 151.4 | 171.6 | -63.1 | 179.5 | -171.6 | 0 | 0 | 110.5 | W161 Q162 K163 | E159-W161 PolarHBondContact O-N 3.32Å; E159-W161 VanDerWaalsContact O-N 3.15Å; E159-W161 VanDerWaalsContact OE2-CD1 3.29Å; E159-W161 PolarHBondContact OE2-NE1 3.11Å; E159-Q162 HydrophobicContact CB-CG 4.26Å; E159-Q162 WeakPolarHBondContact O-CB 3.44Å; E159-Q162 PolarHBondContact O-N 3.07Å; E159-K163 PolarHBondContact O-N 2.83Å; E159-K163 VanDerWaalsContact O-N 3.15Å | ||
| 160 | D | 70.9 | Confident | 64 | Low | 126 Ų | 126 | 96 Ų | 96 | 67% | 0.674 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.2 | -34.9 | -174.2 | -66.9 | -33.7 | 0 | 0 | 0 | 113 | Q162 K163 E164 | D160-Q162 VanDerWaalsContact C-N 3.32Å; D160-Q162 PolarHBondContact O-N 3.47Å; D160-K163 PolarHBondContact O-N 3.44Å; D160-E164 VanDerWaalsContact O-CB 3.31Å; D160-E164 WeakPolarHBondContact O-CB 3.42Å; D160-E164 PolarHBondContact O-N 2.99Å |
| 161 | W | 70.1 | Confident | 65 | Low | 150 Ų | 150 | 97.8 Ų | 97.8 | 57% | 0.568 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.3 | -28.5 | 176.4 | 75.6 | -93.5 | 0 | 0 | 0 | 112.9 | E159 L165 | E159-W161 PolarHBondContact O-N 3.32Å; E159-W161 VanDerWaalsContact O-N 3.15Å; E159-W161 VanDerWaalsContact OE2-CD1 3.29Å; E159-W161 PolarHBondContact OE2-NE1 3.11Å; W161-L165 HydrophobicContact CZ3-CD2 4.27Å; W161-L165 WeakPolarHBondContact O-CB 3.49Å; W161-L165 PolarHBondContact O-N 2.95Å |
| 162 | Q | 62.8 | Low | 64.9 | Low | 66 Ų | 66 | 96.8 Ų | 96.8 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.1 | -41.5 | 177 | -62 | 179.3 | -61.2 | 0 | 0 | 110.7 | L158 E159 D160 E164 L165 Y166 | L158-Q162 HydrophobicContact CB-CB 4.32Å; L158-Q162 HydrophobicContact CD2-CB 4.11Å; E159-Q162 HydrophobicContact CB-CG 4.26Å; E159-Q162 WeakPolarHBondContact O-CB 3.44Å; E159-Q162 PolarHBondContact O-N 3.07Å; D160-Q162 VanDerWaalsContact C-N 3.32Å; D160-Q162 PolarHBondContact O-N 3.47Å; Q162-E164 VanDerWaalsContact C-N 3.3Å; Q162-E164 PolarHBondContact O-N 3.06Å; Q162-L165 PolarHBondContact O-N 3.48Å; Q162-Y166 PolarHBondContact O-N 2.94Å |
| 163 | K | 73 | Confident | 65.3 | Low | 31 Ų | 31 | 92.6 Ų | 92.6 | 14% | 0.135 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 172.5 | -64.9 | 174.8 | 177 | 153.2 | 0 | 110.7 | W155 L158 E159 D160 Y166 R167 | W155-K163 HydrophobicContact CD2-CG 4.38Å; W155-K163 HydrophobicContact CE3-CG 4.5Å; W155-K163 HydrophobicContact CH2-CB 3.75Å; W155-K163 HydrophobicContact CH2-CG 3.78Å; W155-K163 HydrophobicContact CZ2-CB 3.78Å; W155-K163 HydrophobicContact CZ2-CD 4.04Å; W155-K163 HydrophobicContact CZ2-CG 3.63Å; W155-K163 HydrophobicContact CZ3-CG 4.22Å; W155-K163 WeakPolarHBondContact O-CE 3.25Å; W155-K163 PolarHBondContact O-NZ 2.81Å; L158-K163 HydrophobicContact CB-CG 3.9Å; L158-K163 WeakPolarHBondContact O-CE 3.44Å; L158-K163 PolarHBondContact O-NZ 3.4Å; E159-K163 PolarHBondContact O-N 2.83Å; E159-K163 VanDerWaalsContact O-N 3.15Å; D160-K163 PolarHBondContact O-N 3.44Å; K163-Y166 PolarHBondContact O-N 3.09Å; K163-R167 WeakPolarHBondContact O-CG 3.44Å; K163-R167 PolarHBondContact O-N 2.74Å |
| 164 | E | 69.4 | Low | 65.3 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 38% | 0.379 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 177.5 | -171.1 | 54.5 | -141.1 | 0 | 0 | 112.1 | D160 Q162 Y166 R167 N168 | D160-E164 VanDerWaalsContact O-CB 3.31Å; D160-E164 WeakPolarHBondContact O-CB 3.42Å; D160-E164 PolarHBondContact O-N 2.99Å; Q162-E164 VanDerWaalsContact C-N 3.3Å; Q162-E164 PolarHBondContact O-N 3.06Å; E164-Y166 VanDerWaalsContact C-N 3.33Å; E164-Y166 PolarHBondContact O-N 3.06Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-R167 IonicContact OE2-CZ 3.35Å; E164-R167 IonicContact OE2-NE 2.69Å; E164-R167 PolarHBondContact OE2-NE 3.49Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 3.44Å; E164-N168 WeakPolarHBondContact O-CB 3.4Å; E164-N168 PolarHBondContact O-N 2.84Å; E164-N168 PolarHBondContact O-ND2 3.38Å; E164-N168 PolarHBondContact OE1-ND2 3.49Å |
| 165 | L | 59.5 | Low | 65.5 | Low | 100 Ų | 100 | 92.3 Ų | 92.3 | 52% | 0.524 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.1 | -175.5 | 70.7 | 0 | 0 | 0 | 111.6 | W161 Q162 N168 V169 | W161-L165 HydrophobicContact CZ3-CD2 4.27Å; W161-L165 WeakPolarHBondContact O-CB 3.49Å; W161-L165 PolarHBondContact O-N 2.95Å; Q162-L165 PolarHBondContact O-N 3.48Å; L165-N168 PolarHBondContact O-N 3.36Å; L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 3.12Å |
| 166 | Y | 69.4 | Low | 65 | Low | 67 Ų | 67 | 92.5 Ų | 92.5 | 26% | 0.263 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.6 | -178.9 | -98 | 0 | 0 | 0 | 111.7 | G147 W155 Q162 K163 E164 N168 V169 M170 | G147-Y166 PolarHBondContact O-OH 2.99Å; W155-Y166 HydrophobicContact CH2-CD1 4.04Å; W155-Y166 AromaticContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CD1 3.93Å; W155-Y166 HydrophobicContact CZ3-CG 4.34Å; Q162-Y166 PolarHBondContact O-N 2.94Å; K163-Y166 PolarHBondContact O-N 3.09Å; E164-Y166 VanDerWaalsContact C-N 3.33Å; E164-Y166 PolarHBondContact O-N 3.06Å; Y166-N168 PolarHBondContact O-N 3.22Å; Y166-V169 PolarHBondContact O-N 3.49Å; Y166-M170 HydrophobicContact CD1-CG 4.07Å; Y166-M170 HydrophobicContact CD2-CG 4.33Å; Y166-M170 HydrophobicContact CE1-CG 3.67Å; Y166-M170 HydrophobicContact CE2-CG 3.94Å; Y166-M170 HydrophobicContact CE2-SD 4.21Å; Y166-M170 HydrophobicContact CG-CG 4.39Å; Y166-M170 WeakPolarHBondContact O-CB 3.28Å; Y166-M170 VanDerWaalsContact O-CG 3.3Å; Y166-M170 WeakPolarHBondContact O-CG 3.32Å; Y166-M170 PolarHBondContact O-N 3.24Å |
| 167 | R | 69.9 | Low | 64.1 | Low | 114 Ų | 114 | 90.6 Ų | 90.6 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 175 | -77 | -170 | -68.7 | -98.4 | 3.2 | 111.6 | K163 E164 V169 M170 E171 | K163-R167 WeakPolarHBondContact O-CG 3.44Å; K163-R167 PolarHBondContact O-N 2.74Å; E164-R167 PolarHBondContact O-N 2.73Å; E164-R167 IonicContact OE2-CZ 3.35Å; E164-R167 IonicContact OE2-NE 2.69Å; E164-R167 PolarHBondContact OE2-NE 3.49Å; E164-R167 IonicContact OE2-NH2 2.68Å; E164-R167 PolarHBondContact OE2-NH2 3.44Å; R167-V169 VanDerWaalsContact C-N 3.34Å; R167-V169 PolarHBondContact O-N 3.33Å; R167-M170 PolarHBondContact O-N 2.89Å; R167-E171 VanDerWaalsContact O-CB 3.27Å; R167-E171 WeakPolarHBondContact O-CB 3.46Å; R167-E171 PolarHBondContact O-N 2.97Å |
| 168 | N | 66.6 | Low | 63.5 | Low | 74 Ų | 74 | 88.2 Ų | 88.2 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | -179.5 | -76.4 | -61 | 0 | 0 | 0 | 112.7 | E164 L165 Y166 S172 | E164-N168 WeakPolarHBondContact O-CB 3.4Å; E164-N168 PolarHBondContact O-N 2.84Å; E164-N168 PolarHBondContact O-ND2 3.38Å; E164-N168 PolarHBondContact OE1-ND2 3.49Å; L165-N168 PolarHBondContact O-N 3.36Å; Y166-N168 PolarHBondContact O-N 3.22Å; N168-S172 VanDerWaalsContact O-CB 3.32Å; N168-S172 WeakPolarHBondContact O-CB 3.2Å; N168-S172 PolarHBondContact O-N 3.19Å |
| 169 | V | 67.7 | Low | 62.7 | Low | 72 Ų | 72 | 90.2 Ų | 90.2 | 44% | 0.436 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L165 Y166 R167 N173 | L165-V169 VanDerWaalsContact O-CG2 3.28Å; L165-V169 WeakPolarHBondContact O-CG2 3.4Å; L165-V169 PolarHBondContact O-N 3.12Å; Y166-V169 PolarHBondContact O-N 3.49Å; R167-V169 VanDerWaalsContact C-N 3.34Å; R167-V169 PolarHBondContact O-N 3.33Å; V169-N173 WeakPolarHBondContact O-CB 3.36Å; V169-N173 PolarHBondContact O-N 2.7Å; V169-N173 PolarHBondContact O-ND2 3.22Å |
| 170 | M | 63.5 | Low | 61.6 | Low | 56 Ų | 56 | 89.6 Ų | 89.6 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 177.9 | -71.3 | -58.5 | -65.6 | 0 | 0 | 111.2 | Y166 R167 N173 Y174 | Y166-M170 HydrophobicContact CD1-CG 4.07Å; Y166-M170 HydrophobicContact CD2-CG 4.33Å; Y166-M170 HydrophobicContact CE1-CG 3.67Å; Y166-M170 HydrophobicContact CE2-CG 3.94Å; Y166-M170 HydrophobicContact CE2-SD 4.21Å; Y166-M170 HydrophobicContact CG-CG 4.39Å; Y166-M170 WeakPolarHBondContact O-CB 3.28Å; Y166-M170 VanDerWaalsContact O-CG 3.3Å; Y166-M170 WeakPolarHBondContact O-CG 3.32Å; Y166-M170 PolarHBondContact O-N 3.24Å; R167-M170 PolarHBondContact O-N 2.89Å; M170-N173 WeakPolarHBondContact O-CB 3.41Å; M170-N173 PolarHBondContact O-N 2.93Å; M170-Y174 HydrophobicContact CE-CE2 3.81Å; M170-Y174 WeakPolarHBondContact O-CD2 3.31Å; M170-Y174 PolarHBondContact O-N 2.95Å |
| 171 | E | 60.2 | Low | 60.9 | Low | 111 Ų | 111 | 90.2 Ų | 90.2 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 177 | -171.9 | 168.6 | -152.4 | 0 | 0 | 111.4 | R167 N173 Y174 E175 | R167-E171 VanDerWaalsContact O-CB 3.27Å; R167-E171 WeakPolarHBondContact O-CB 3.46Å; R167-E171 PolarHBondContact O-N 2.97Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 3.37Å; E171-Y174 CarbonylContact O-C 3.58Å; E171-Y174 PolarHBondContact O-N 3.36Å; E171-E175 WeakPolarHBondContact O-CG 3.24Å; E171-E175 PolarHBondContact O-N 3.3Å |
| 172 | S | 52 | Low | 60.1 | Low | 59 Ų | 59 | 87.7 Ų | 87.7 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | 176.3 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | N168 T176 | N168-S172 VanDerWaalsContact O-CB 3.32Å; N168-S172 WeakPolarHBondContact O-CB 3.2Å; N168-S172 PolarHBondContact O-N 3.19Å; S172-T176 WeakPolarHBondContact O-CB 3.41Å; S172-T176 PolarHBondContact O-N 2.85Å; S172-T176 PolarHBondContact O-OG1 3.3Å |
| 173 | N | 67.4 | Low | 59.1 | Low | 85 Ų | 85 | 90.7 Ų | 90.7 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 174.3 | -70.9 | -22.8 | 0 | 0 | 0 | 111.6 | V169 M170 E171 T176 L177 | V169-N173 WeakPolarHBondContact O-CB 3.36Å; V169-N173 PolarHBondContact O-N 2.7Å; V169-N173 PolarHBondContact O-ND2 3.22Å; M170-N173 WeakPolarHBondContact O-CB 3.41Å; M170-N173 PolarHBondContact O-N 2.93Å; E171-N173 VanDerWaalsContact C-N 3.29Å; E171-N173 PolarHBondContact O-N 3.37Å; N173-T176 PolarHBondContact O-N 2.97Å; N173-L177 WeakPolarHBondContact O-CB 3.3Å; N173-L177 WeakPolarHBondContact O-CG 3.33Å; N173-L177 PolarHBondContact O-N 3.39Å |
| 174 | Y | 55.7 | Low | 57.7 | Low | 124 Ų | 124 | 91.3 Ų | 91.3 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.1 | -81 | -66.7 | 0 | 0 | 0 | 112 | M170 E171 T176 L177 V178 | M170-Y174 HydrophobicContact CE-CE2 3.81Å; M170-Y174 WeakPolarHBondContact O-CD2 3.31Å; M170-Y174 PolarHBondContact O-N 2.95Å; E171-Y174 CarbonylContact O-C 3.58Å; E171-Y174 PolarHBondContact O-N 3.36Å; Y174-T176 VanDerWaalsContact C-N 3.27Å; Y174-T176 PolarHBondContact O-N 3.42Å; Y174-L177 PolarHBondContact O-N 3.49Å; Y174-L177 VanDerWaalsContact O-N 3.16Å; Y174-V178 WeakPolarHBondContact O-CB 3.31Å; Y174-V178 VanDerWaalsContact O-CG2 3.28Å; Y174-V178 WeakPolarHBondContact O-CG2 3.45Å; Y174-V178 PolarHBondContact O-N 2.94Å |
| 175 | E | 58.6 | Low | 56.3 | Low | 116 Ų | 116 | 92.9 Ų | 92.9 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 173.9 | -73.8 | -177.6 | 156.2 | 0 | 0 | 111.7 | E171 V178 S179 | E171-E175 WeakPolarHBondContact O-CG 3.24Å; E171-E175 PolarHBondContact O-N 3.3Å; E175-V178 PolarHBondContact O-N 3.44Å; E175-S179 VanDerWaalsContact O-CB 3.31Å; E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 2.68Å; E175-S179 PolarHBondContact O-OG 3.22Å |
| 176 | T | 54.3 | Low | 55.3 | Low | 73 Ų | 73 | 94 Ų | 94 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | S172 N173 Y174 S179 L180 | S172-T176 WeakPolarHBondContact O-CB 3.41Å; S172-T176 PolarHBondContact O-N 2.85Å; S172-T176 PolarHBondContact O-OG1 3.3Å; N173-T176 PolarHBondContact O-N 2.97Å; Y174-T176 VanDerWaalsContact C-N 3.27Å; Y174-T176 PolarHBondContact O-N 3.42Å; T176-S179 PolarHBondContact O-N 3.25Å; T176-L180 HydrophobicContact CG2-CD1 4.26Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.47Å |
| 177 | L | 48.7 | Very low | 53.7 | Low | 108 Ų | 108 | 98.8 Ų | 98.8 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -39 | 176.7 | -75.3 | 169.4 | 0 | 0 | 0 | 112.4 | N173 Y174 L180 K181 | N173-L177 WeakPolarHBondContact O-CB 3.3Å; N173-L177 WeakPolarHBondContact O-CG 3.33Å; N173-L177 PolarHBondContact O-N 3.39Å; Y174-L177 PolarHBondContact O-N 3.49Å; Y174-L177 VanDerWaalsContact O-N 3.16Å; L177-L180 PolarHBondContact O-N 3.05Å; L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.44Å |
| 178 | V | 57.1 | Low | 52.1 | Low | 88 Ų | 88 | 96.4 Ų | 96.4 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | Y174 E175 L180 K181 V182 | Y174-V178 WeakPolarHBondContact O-CB 3.31Å; Y174-V178 VanDerWaalsContact O-CG2 3.28Å; Y174-V178 WeakPolarHBondContact O-CG2 3.45Å; Y174-V178 PolarHBondContact O-N 2.94Å; E175-V178 PolarHBondContact O-N 3.44Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 2.96Å; V178-K181 WeakPolarHBondContact O-CB 3.5Å; V178-K181 PolarHBondContact O-N 3.38Å; V178-V182 HydrophobicContact CG1-CG2 4.45Å; V178-V182 WeakPolarHBondContact O-CG2 3.26Å; V178-V182 PolarHBondContact O-N 3.36Å |
| 179 | S | 48.7 | Very low | 50.5 | Low | 74 Ų | 74 | 100.8 Ų | 100.8 | 52% | 0.517 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60 | -39.6 | 175.9 | -60 | 0 | 0 | 0 | 0 | 111.8 | E175 T176 L183 | E175-S179 VanDerWaalsContact O-CB 3.31Å; E175-S179 WeakPolarHBondContact O-CB 3.38Å; E175-S179 PolarHBondContact O-N 2.68Å; E175-S179 PolarHBondContact O-OG 3.22Å; T176-S179 PolarHBondContact O-N 3.25Å; S179-L183 WeakPolarHBondContact O-CG 3.19Å; S179-L183 PolarHBondContact O-N 2.85Å |
| 180 | L | 47.8 | Very low | 48.8 | Very low | 106 Ų | 106 | 101.4 Ų | 101.4 | 56% | 0.555 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.5 | -34.7 | 173.6 | -71.3 | 169.2 | 0 | 0 | 0 | 112.7 | T176 L177 V178 L183 G184 | T176-L180 HydrophobicContact CG2-CD1 4.26Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 3.05Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 2.96Å; L180-L183 PolarHBondContact O-N 3.4Å; L180-G184 PolarHBondContact O-N 3.31Å |
| 181 | K | 56.1 | Low | 47.4 | Very low | 140 Ų | 140 | 108.1 Ų | 108.1 | 61% | 0.609 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.3 | -39.6 | 175.8 | -167.7 | 105.2 | -178.6 | -173.8 | 0 | 111.8 | L177 V178 L183 G184 Q185 | L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.44Å; V178-K181 WeakPolarHBondContact O-CB 3.5Å; V178-K181 PolarHBondContact O-N 3.38Å; K181-L183 PolarHBondContact O-N 3.49Å; K181-G184 WeakPolarHBondContact O-CA 3.3Å; K181-G184 PolarHBondContact O-N 3.34Å; K181-Q185 PolarHBondContact O-N 3.25Å; K181-Q185 VanDerWaalsContact O-N 3.15Å |
| 182 | V | 53.5 | Low | 46.1 | Very low | 96 Ų | 96 | 110.9 Ų | 110.9 | 58% | 0.582 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.8 | -32.9 | 174.2 | 173 | 0 | 0 | 0 | 0 | 110.8 | V178 G184 | V178-V182 HydrophobicContact CG1-CG2 4.45Å; V178-V182 WeakPolarHBondContact O-CG2 3.26Å; V178-V182 PolarHBondContact O-N 3.36Å; V182-G184 VanDerWaalsContact C-N 3.32Å |
| 183 | L | 42.1 | Very low | 45 | Very low | 130 Ų | 130 | 111.2 Ų | 111.2 | 68% | 0.681 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.7 | -19.3 | 172.8 | -64.8 | 175.8 | 0 | 0 | 0 | 113.8 | S179 L180 K181 | S179-L183 WeakPolarHBondContact O-CG 3.19Å; S179-L183 PolarHBondContact O-N 2.85Å; L180-L183 PolarHBondContact O-N 3.4Å; K181-L183 PolarHBondContact O-N 3.49Å |
| 184 | G | 42.7 | Very low | 43.1 | Very low | 44 Ų | 44 | 113.9 Ų | 113.9 | 45% | 0.454 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -92 | -19.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L180 K181 V182 T186 E187 | L180-G184 PolarHBondContact O-N 3.31Å; K181-G184 WeakPolarHBondContact O-CA 3.3Å; K181-G184 PolarHBondContact O-N 3.34Å; V182-G184 VanDerWaalsContact C-N 3.32Å; G184-T186 VanDerWaalsContact C-N 3.32Å; G184-T186 PolarHBondContact O-N 2.73Å; G184-E187 PolarHBondContact O-N 2.83Å |
| 185 | Q | 41.2 | Very low | 42 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 53% | 0.533 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | 0.8 | -176.4 | -76.7 | -176.4 | -38 | 0 | 0 | 114.8 | K181 E187 | K181-Q185 PolarHBondContact O-N 3.25Å; K181-Q185 VanDerWaalsContact O-N 3.15Å; Q185-E187 PolarHBondContact O-N 2.92Å |
| 186 | T | 37.5 | Very low | 40.5 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -4.8 | 166.8 | 49.5 | 0 | 0 | 0 | 0 | 113.2 | G184 | G184-T186 VanDerWaalsContact C-N 3.32Å; G184-T186 PolarHBondContact O-N 2.73Å |
| 187 | E | 35.8 | Very low | 39.2 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -111.8 | 81.5 | 180 | -62.7 | -171.5 | 176.3 | 0 | 0 | 110.9 | G184 Q185 | G184-E187 PolarHBondContact O-N 2.83Å; Q185-E187 PolarHBondContact O-N 2.92Å |
| 188 | G | 37.2 | Very low | 38.3 | Very low | 65 Ų | 65 | 122.7 Ų | 122.7 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | trans | 57.9 | 80.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | A190 | G188-A190 PolarHBondContact O-N 2.85Š| ||
| 189 | E | 32.1 | Very low | 36.8 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | -67.7 | 72.9 | 146.4 | -67.7 | -176.8 | 171.1 | 0 | 0 | 108.1 | E191 | E189-E191 PolarHBondContact O-N 3Š| ||
| 190 | A | 33.6 | Very low | 35.8 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -73.4 | 108.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106 | G188 L192 | G188-A190 PolarHBondContact O-N 2.85Å; A190-L192 PolarHBondContact O-N 3.45Å | ||
| 191 | E | 34.1 | Very low | 34.8 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | -41.8 | 103.5 | 176.9 | -61.2 | 178.6 | 147.7 | 0 | 0 | 111.3 | E189 G193 | E189-E191 PolarHBondContact O-N 3Å; E191-G193 VanDerWaalsContact C-N 3.26Å; E191-G193 PolarHBondContact O-N 2.77Å | ||
| 192 | L | 31.6 | Very low | 33.5 | Very low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -74.6 | 90.3 | 163.8 | -79.2 | 171.7 | 0 | 0 | 0 | 107.4 | A190 T194 | A190-L192 PolarHBondContact O-N 3.45Å; L192-T194 PolarHBondContact O-N 3.01Å | ||
| 193 | G | 29.8 | Very low | 32.2 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | -47.7 | 125.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E191 E195 | E191-G193 VanDerWaalsContact C-N 3.26Å; E191-G193 PolarHBondContact O-N 2.77Å; G193-E195 PolarHBondContact O-N 2.96Å; G193-E195 VanDerWaalsContact O-N 3.07Å | ||
| 194 | T | 27 | Very low | 31.6 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | -72.3 | 90.4 | 171.8 | -60.8 | 0 | 0 | 0 | 0 | 108.2 | L192 | L192-T194 PolarHBondContact O-N 3.01Š| ||
| 195 | E | 31.8 | Very low | 31 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -129.7 | 96.1 | 168.3 | -71.5 | -168.2 | 157.5 | 0 | 0 | 110.2 | G193 | G193-E195 PolarHBondContact O-N 2.96Å; G193-E195 VanDerWaalsContact O-N 3.07Å | ||
| 196 | M | 28.9 | Very low | 30.3 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 20.2 | 118.9 | 146.3 | -71.4 | -174.8 | 45.3 | 0 | 0 | 119.4 | G198 | M196-G198 PolarHBondContact O-N 3.06Å; M196-G198 VanDerWaalsContact O-N 3.1Å | ||
| 197 | L | 26.8 | Very low | 30 | Very low | 179 Ų | 179 | 135 Ų | 135 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -38.8 | 106.6 | 148.2 | -80.7 | 144.6 | 0 | 0 | 0 | 111.9 | ||||
| 198 | G | 29.2 | Very low | 29.5 | Very low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -129.1 | 95.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | M196 | M196-G198 PolarHBondContact O-N 3.06Å; M196-G198 VanDerWaalsContact O-N 3.1Å | ||
| 199 | D | 26.6 | Very low | 29.3 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | 13.9 | 127.4 | 146.3 | -64 | -32.3 | 0 | 0 | 0 | 120.4 | ||||
| 200 | L | 26.9 | Very low | 29.5 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | trans | 78.4 | 119.3 | 131.6 | -64.6 | 169.2 | 0 | 0 | 0 | 119.7 | ||||
| 201 | E | 26.2 | Very low | 29.5 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | 96 | 133.4 | 132.2 | -71.5 | 171.4 | -177.9 | 0 | 0 | 120.4 | ||||
| 202 | E | 30.1 | Very low | 29.1 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | 89.8 | 88.3 | 152.4 | -61.2 | -104.2 | 131 | 0 | 0 | 118.9 | ||||
| 203 | E | 25.5 | Very low | 29 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -2.1 | 120.6 | 133.7 | -65.2 | -73.9 | 132.6 | 0 | 0 | 117.3 | ||||
| 204 | G | 29.6 | Very low | 29 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -159.8 | 105.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 205 | P | 29.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 131 Ų | 131 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -91 | 120 | 178.8 | 32.5 | -28.1 | 0 | 0 | 0 | 110.5 | ||||
| 206 | G | 27.3 | Very low | 29.2 | Very low | 83 Ų | 83 | 129 Ų | 129 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 159.1 | 107.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 207 | G | 30.2 | Very low | 29.3 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 167 | 71.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H209 | G207-H209 PolarHBondContact O-N 3.45Š| ||
| 208 | A | 26.5 | Very low | 29.5 | Very low | 108 Ų | 108 | 130 Ų | 130 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -60.8 | 119.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 209 | H | 33.3 | Very low | 29.6 | Very low | 185 Ų | 185 | 135.3 Ų | 135.3 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -121.3 | 141.8 | 167.6 | -127.5 | -99.4 | 0 | 0 | 0 | 110.1 | G207 | G207-H209 PolarHBondContact O-N 3.45Š| ||
| 210 | P | 35 | Very low | 29.7 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -88.7 | 141.3 | -152.2 | 33.2 | -29.6 | 0 | 0 | 0 | 112.8 | G212 | P210-G212 PolarHBondContact O-N 3.2Å; P210-G212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | A | 33.6 | Very low | 30 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 96% | 0.959 | 82% | 0.823 | S | S | * | * | trans | -66.4 | 102.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 212 | G | 27 | Very low | 30 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -146.8 | 50.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P210 | P210-G212 PolarHBondContact O-N 3.2Å; P210-G212 VanDerWaalsContact O-N 3.12Å | ||
| 213 | G | 27.9 | Very low | 30 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -85.9 | 107.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 214 | V | 31.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -68 | 127.8 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | I216 | V214-I216 PolarHBondContact O-N 2.69Š| ||
| 215 | M | 28.4 | Very low | 30.5 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | -72.1 | 111.2 | 174.8 | -69.9 | -134.6 | -78.5 | 0 | 0 | 110.9 | K217 | M215-K217 PolarHBondContact O-N 3.35Š| ||
| 216 | I | 32.7 | Very low | 30.6 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | -84.4 | 109.1 | 170.6 | -59.7 | 171.5 | 0 | 0 | 0 | 107.6 | V214 Q218 | V214-I216 PolarHBondContact O-N 2.69Å; I216-Q218 HydrophobicContact CG2-CG 4.29Å; I216-Q218 PolarHBondContact O-N 3.12Å | ||
| 217 | K | 32.5 | Very low | 31 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 104 | 167.6 | -83.7 | 178.4 | 171.3 | 177.8 | 0 | 108.5 | M215 E219 | M215-K217 PolarHBondContact O-N 3.35Å; K217-E219 PolarHBondContact O-N 3.44Å | ||
| 218 | Q | 29.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -86.1 | 102.9 | 164 | -77 | 178.4 | -32.5 | 0 | 0 | 108.4 | I216 L220 | I216-Q218 HydrophobicContact CG2-CG 4.29Å; I216-Q218 PolarHBondContact O-N 3.12Å; Q218-L220 PolarHBondContact O-N 3.3Å | ||
| 219 | E | 31.4 | Very low | 31.6 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -70.9 | 103 | 162.6 | -91 | 171.4 | 150.6 | 0 | 0 | 108.1 | K217 Q221 | K217-E219 PolarHBondContact O-N 3.44Å; E219-Q221 PolarHBondContact O-N 3.48Å | ||
| 220 | L | 29.5 | Very low | 31.6 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -62.8 | 99.2 | 170.1 | -83.6 | 147.1 | 0 | 0 | 0 | 109.2 | Q218 Y222 | Q218-L220 PolarHBondContact O-N 3.3Å; L220-Y222 PolarHBondContact O-N 3.28Å; L220-Y222 VanDerWaalsContact O-N 3.16Å | ||
| 221 | Q | 32.1 | Very low | 31.4 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -74.3 | 98 | 167 | -72.1 | 178.8 | -2.3 | 0 | 0 | 108.2 | E219 T223 | E219-Q221 PolarHBondContact O-N 3.48Å; Q221-T223 PolarHBondContact O-N 2.94Å; Q221-T223 VanDerWaalsContact O-N 3.15Å | ||
| 222 | Y | 26.5 | Very low | 31.4 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -74.6 | 97.8 | 172.8 | -166.5 | -96.1 | 0 | 0 | 0 | 108.8 | L220 Q224 | L220-Y222 PolarHBondContact O-N 3.28Å; L220-Y222 VanDerWaalsContact O-N 3.16Å; Y222-Q224 HydrophobicContact CD1-CG 4.18Å; Y222-Q224 HydrophobicContact CE1-CG 4.19Å; Y222-Q224 PolarHBondContact O-N 3.24Å | ||
| 223 | T | 31.2 | Very low | 31.7 | Very low | 115 Ų | 115 | 148 Ų | 148 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -70.3 | 105.7 | 167.3 | 34.9 | 0 | 0 | 0 | 0 | 108.6 | Q221 E225 | Q221-T223 PolarHBondContact O-N 2.94Å; Q221-T223 VanDerWaalsContact O-N 3.15Å; T223-E225 PolarHBondContact O-N 3.27Å | ||
| 224 | Q | 31.4 | Very low | 32 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -63.8 | 102 | 166.1 | -86.9 | 178.4 | -11.8 | 0 | 0 | 108.5 | Y222 G226 | Y222-Q224 HydrophobicContact CD1-CG 4.18Å; Y222-Q224 HydrophobicContact CE1-CG 4.19Å; Y222-Q224 PolarHBondContact O-N 3.24Å; Q224-G226 PolarHBondContact O-N 3.46Å | ||
| 225 | E | 33.2 | Very low | 31.7 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -71.3 | 111.2 | 164 | -62.5 | -146.6 | 154.4 | 0 | 0 | 108.1 | T223 | T223-E225 PolarHBondContact O-N 3.27Š| ||
| 226 | G | 30.6 | Very low | 31.8 | Very low | 63 Ų | 63 | 149.9 Ų | 149.9 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q224 A228 | Q224-G226 PolarHBondContact O-N 3.46Å; G226-A228 PolarHBondContact O-N 3.25Å |
| 227 | P | 37 | Very low | 31.8 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 132.5 | 179.6 | 26 | -31.9 | 0 | 0 | 0 | 110.5 | D229 | P227-D229 PolarHBondContact O-N 3.05Š|
| 228 | A | 34.1 | Very low | 31.8 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56 | 131.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G226 L230 | G226-A228 PolarHBondContact O-N 3.25Å; A228-L230 PolarHBondContact O-N 3.24Å |
| 229 | D | 34 | Very low | 31.9 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -52 | 114.8 | 169.7 | -79.2 | -51.1 | 0 | 0 | 0 | 111.2 | P227 | P227-D229 PolarHBondContact O-N 3.05Š| ||
| 230 | L | 33.4 | Very low | 32.1 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -109.1 | 114.3 | 158.5 | -78.9 | 173.2 | 0 | 0 | 0 | 108.5 | A228 G232 | A228-L230 PolarHBondContact O-N 3.24Å; L230-G232 PolarHBondContact O-N 3.47Å | ||
| 231 | P | 32.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -82.5 | 108 | 175 | 30.9 | -28.4 | 0 | 0 | 0 | 109.2 | ||||
| 232 | G | 33.5 | Very low | 32.4 | Very low | 59 Ų | 59 | 142.7 Ų | 142.7 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | trans | -125.7 | 96.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L230 F234 | L230-G232 PolarHBondContact O-N 3.47Å; G232-F234 PolarHBondContact O-N 2.58Å | ||
| 233 | E | 32.8 | Very low | 32.5 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -57.1 | 103.5 | 172.3 | -66.6 | 177.1 | 149.5 | 0 | 0 | 110.4 | ||||
| 234 | F | 33.2 | Very low | 32.5 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -116.9 | 99.1 | 158 | -75 | -78.6 | 0 | 0 | 0 | 107.4 | G232 C236 | G232-F234 PolarHBondContact O-N 2.58Å; F234-C236 PolarHBondContact O-N 2.83Å; F234-C236 VanDerWaalsContact O-N 3.07Å; F234-C236 PolarHBondContact O-SG 3.22Å | ||
| 235 | S | 27 | Very low | 32.5 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -67.2 | 98.1 | 171.8 | 43.2 | 0 | 0 | 0 | 0 | 109.3 | I237 | S235-I237 PolarHBondContact O-N 3.07Š| ||
| 236 | C | 28.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -71 | 116 | 172.4 | -42 | 0 | 0 | 0 | 0 | 108.8 | F234 A238 | F234-C236 PolarHBondContact O-N 2.83Å; F234-C236 VanDerWaalsContact O-N 3.07Å; F234-C236 PolarHBondContact O-SG 3.22Å; C236-A238 PolarHBondContact O-N 3.17Å | ||
| 237 | I | 33.2 | Very low | 32.3 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | trans | -67.8 | 127.4 | 173.6 | -49.3 | 167.6 | 0 | 0 | 0 | 107.3 | S235 E239 | S235-I237 PolarHBondContact O-N 3.07Å; I237-E239 PolarHBondContact O-N 3.4Å | ||
| 238 | A | 32.3 | Very low | 32.2 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -69.9 | 111.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C236 | C236-A238 PolarHBondContact O-N 3.17Š| ||
| 239 | E | 33.1 | Very low | 32 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -83.1 | 115.3 | 167.7 | -77.6 | -177.8 | 149.9 | 0 | 0 | 109.5 | I237 Q241 | I237-E239 PolarHBondContact O-N 3.4Å; E239-Q241 PolarHBondContact O-N 3.43Å | ||
| 240 | E | 34.1 | Very low | 32 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -63.2 | 125.8 | 175.4 | -79.3 | 177.6 | 112.7 | 0 | 0 | 111.6 | A242 | E240-A242 PolarHBondContact O-N 2.78Å; E240-A242 VanDerWaalsContact O-N 3.09Å | ||
| 241 | Q | 33.9 | Very low | 31.8 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 92.8 | 171.9 | -71 | 175.2 | -17.8 | 0 | 0 | 110.5 | E239 F243 | E239-Q241 PolarHBondContact O-N 3.43Å; Q241-F243 PolarHBondContact O-N 3.26Å | ||
| 242 | A | 34.3 | Very low | 32 | Very low | 88 Ų | 88 | 154.5 Ų | 154.5 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -80.4 | 100 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E240 L244 | E240-A242 PolarHBondContact O-N 2.78Å; E240-A242 VanDerWaalsContact O-N 3.09Å; A242-L244 PolarHBondContact O-N 2.83Å | ||
| 243 | F | 28.7 | Very low | 31.5 | Very low | 198 Ų | 198 | 155.5 Ų | 155.5 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | trans | -62.1 | 109.6 | 165.6 | -96.6 | -101.8 | 0 | 0 | 0 | 109.9 | Q241 | Q241-F243 PolarHBondContact O-N 3.26Š| ||
| 244 | L | 32.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -102.8 | 107.7 | 167 | -74.3 | 166.2 | 0 | 0 | 0 | 108.5 | A242 | A242-L244 PolarHBondContact O-N 2.83Š| ||
| 245 | S | 29.6 | Very low | 31.4 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -75.4 | 133.3 | 175.8 | -160.8 | 0 | 0 | 0 | 0 | 110.5 | E247 | S245-E247 PolarHBondContact O-N 2.96Š| ||
| 246 | P | 29.7 | Very low | 31.4 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | -95 | 94.6 | -178.7 | 33.4 | -27.6 | 0 | 0 | 0 | 111.4 | ||||
| 247 | E | 30.6 | Very low | 31.6 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -136.9 | 120.6 | 161.2 | -73 | -171.9 | 132.9 | 0 | 0 | 107 | S245 | S245-E247 PolarHBondContact O-N 2.96Š| ||
| 248 | Q | 35.1 | Very low | 31.2 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | 159.4 | 74.6 | 157.3 | -77.5 | -100.6 | -40.6 | 0 | 0 | 107.4 | ||||
| 249 | T | 30.5 | Very low | 31.2 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -114.3 | 73.9 | 167.6 | -37.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 250 | E | 33 | Very low | 30.8 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 73% | 0.729 | 82% | 0.822 | S | S | * | * | trans | -97.2 | 128.4 | 175.2 | -83.2 | -86.7 | 140.8 | 0 | 0 | 109.9 | ||||
| 251 | L | 29.3 | Very low | 30.6 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -41.6 | 126.8 | 175.1 | -91.4 | 66.2 | 0 | 0 | 0 | 114.2 | ||||
| 252 | W | 35.7 | Very low | 30.2 | Very low | 255 Ų | 255 | 142.5 Ų | 142.5 | 97% | 0.966 | 81% | 0.812 | S | S | * | * | trans | -120.4 | 91.1 | 154.4 | -74.1 | 64.8 | 0 | 0 | 0 | 108.9 | ||||
| 253 | G | 24.7 | Very low | 30.1 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -84.3 | 101.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 254 | G | 33.5 | Very low | 30.1 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -107.9 | 101.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 255 | Q | 29.3 | Very low | 30.4 | Very low | 198 Ų | 198 | 137 Ų | 137 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 141.8 | 172.3 | -67.6 | 178.2 | -8.4 | 0 | 0 | 110.7 | ||||
| 256 | G | 27.8 | Very low | 30.7 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 92.6 | 110.4 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 257 | S | 31.9 | Very low | 30.5 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 174.4 | 119.7 | 95.5 | 41.1 | 0 | 0 | 0 | 0 | 109.6 | V259 | S257-V259 PolarHBondContact O-N 2.84Š| |||
| 258 | S | 25.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -66 | 116.9 | 169.2 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 259 | V | 32.6 | Very low | 30.5 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -111.9 | 116.5 | 163.5 | 177.7 | 0 | 0 | 0 | 0 | 107 | S257 | S257-V259 PolarHBondContact O-N 2.84Š| ||
| 260 | L | 24 | Very low | 30.7 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -123.1 | 109 | -175.3 | -164.3 | 150.2 | 0 | 0 | 0 | 106.1 | ||||
| 261 | L | 29.3 | Very low | 30.5 | Very low | 154 Ų | 154 | 133 Ų | 133 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | -164.7 | 102.1 | 165.6 | -103.3 | 126.8 | 0 | 0 | 0 | 105.8 | ||||
| 262 | E | 25.3 | Very low | 30.6 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 81% | 0.81 | S | S | * | * | 77.6 | 138.1 | 82.7 | -83.2 | -86.9 | 128.8 | 0 | 0 | 113.1 | |||||
| 263 | T | 33.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 89.7 | 96.4 | 164 | 72.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 264 | G | 29.4 | Very low | 31.1 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | 102.3 | 140.2 | 105.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 265 | P | 38.3 | Very low | 31 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | -102.2 | 139.8 | -154.6 | 36 | -24.9 | 0 | 0 | 0 | 113.7 | ||||
| 266 | G | 35.4 | Very low | 31.1 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -103.2 | 107 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 267 | D | 26.3 | Very low | 31.3 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -81.5 | 118.4 | 176.9 | -163.5 | 5.5 | 0 | 0 | 0 | 109.3 | ||||
| 268 | S | 37.7 | Very low | 31.3 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -161.7 | 92.6 | 161.3 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 269 | T | 27.3 | Very low | 31.7 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -12.6 | 120.1 | 145.9 | 49.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 270 | L | 34.8 | Very low | 31.7 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | -151.1 | 91.7 | 153.9 | -115.3 | 159 | 0 | 0 | 0 | 110 | ||||
| 271 | E | 29.8 | Very low | 32 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 25.8 | 119 | 146.3 | -59.5 | -65.9 | 100.8 | 0 | 0 | 119.6 | ||||
| 272 | E | 30.3 | Very low | 32.2 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -70.5 | 144 | 167.2 | -62.6 | -140.8 | 130.2 | 0 | 0 | 113.4 | ||||
| 273 | P | 40.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -97.2 | 115.5 | 151.1 | 21.8 | -6.2 | 0 | 0 | 0 | 110.4 | G275 | P273-G275 PolarHBondContact O-N 2.77Š| ||
| 274 | V | 31.8 | Very low | 32.3 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -59 | 118.3 | 171.2 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 275 | G | 31.7 | Very low | 32.6 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -140.2 | 75.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P273 R277 | P273-G275 PolarHBondContact O-N 2.77Å; G275-R277 PolarHBondContact O-N 2.64Å | ||
| 276 | S | 31 | Very low | 32.3 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -22.9 | 105.8 | 170.7 | 45 | 0 | 0 | 0 | 0 | 117 | ||||
| 277 | R | 32 | Very low | 31.9 | Very low | 246 Ų | 246 | 135.7 Ų | 135.7 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -101.2 | 111.9 | 154.7 | -88.7 | -174.8 | -179.1 | -159.5 | 0.8 | 109.6 | G275 P279 | G275-R277 PolarHBondContact O-N 2.64Å; R277-P279 WeakPolarHBondContact O-CD 3.43Å | ||
| 278 | V | 32 | Very low | 32.2 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -65.7 | 124.1 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 279 | P | 33.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -86 | 119.1 | 174.1 | -1.8 | 20.2 | 0 | 0 | 0 | 110.6 | R277 S281 | R277-P279 WeakPolarHBondContact O-CD 3.43Å; P279-S281 PolarHBondContact O-N 3.21Å | ||
| 280 | S | 33.4 | Very low | 32.5 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | trans | -69.7 | 99.6 | 171.5 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | S282 | S280-S282 PolarHBondContact O-N 3.2Š| ||
| 281 | S | 30.8 | Very low | 32.4 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -68 | 106.3 | 170.8 | 148.6 | 0 | 0 | 0 | 0 | 110.9 | P279 | P279-S281 PolarHBondContact O-N 3.21Š| ||
| 282 | S | 33.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -104.5 | 90.7 | 158.7 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | S280 T284 | S280-S282 PolarHBondContact O-N 3.2Å; S282-T284 PolarHBondContact O-N 2.75Å; S282-T284 VanDerWaalsContact O-N 3.09Å | ||
| 283 | R | 29.2 | Very low | 32.7 | Very low | 227 Ų | 227 | 141.6 Ų | 141.6 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -59.1 | 107 | 169.8 | -79.2 | 178.7 | 179.2 | -172.5 | -0.9 | 109.6 | ||||
| 284 | T | 31.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -100.8 | 111.7 | 159.3 | 36.8 | 0 | 0 | 0 | 0 | 107.9 | S282 G286 | S282-T284 PolarHBondContact O-N 2.75Å; S282-T284 VanDerWaalsContact O-N 3.09Å; T284-G286 PolarHBondContact O-N 3.11Å; T284-G286 VanDerWaalsContact O-N 3.1Å | ||
| 285 | V | 34.4 | Very low | 32.1 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -70.2 | 101.9 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 286 | G | 32.1 | Very low | 32.3 | Very low | 72 Ų | 72 | 150.6 Ų | 150.6 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | T284 | T284-G286 PolarHBondContact O-N 3.11Å; T284-G286 VanDerWaalsContact O-N 3.1Å |
| 287 | C | 27.1 | Very low | 32.1 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 136.2 | 175.5 | -164.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 288 | P | 33.3 | Very low | 32.2 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 118 | -168.1 | 9 | 9.7 | 0 | 0 | 0 | 111 | ||
| 289 | K | 36.9 | Very low | 32 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 121.9 | 166.5 | -76.8 | -175 | 178 | 179.1 | 0 | 109.8 | ||
| 290 | Q | 34.1 | Very low | 32 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 134.8 | -174.7 | -67.6 | -178.6 | -29.5 | 0 | 0 | 112.2 | ||
| 291 | K | 32.4 | Very low | 31.8 | Very low | 208 Ų | 208 | 152.5 Ų | 152.5 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 116.6 | 170.5 | -71.2 | 171.6 | 174.4 | 177.2 | 0 | 109 | ||
| 292 | S | 29.6 | Very low | 31.5 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -101 | 104.2 | 157.4 | 76.8 | 0 | 0 | 0 | 0 | 108.8 | R294 | S292-R294 PolarHBondContact O-N 3.4Š| ||
| 293 | H | 36.3 | Very low | 31.2 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 114.2 | 174.6 | -155.2 | -102.5 | 0 | 0 | 0 | 108.5 | ||||
| 294 | R | 33.4 | Very low | 31.3 | Very low | 245 Ų | 245 | 149.9 Ų | 149.9 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -140.4 | 76.6 | 163.3 | -151.7 | 172.9 | 175 | 165.6 | -1.7 | 109.3 | S292 | S292-R294 PolarHBondContact O-N 3.4Š| ||
| 295 | Q | 26.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 66% | 0.659 | 81% | 0.805 | S | S | * | * | trans | -69.3 | 128.2 | 161.2 | -167.2 | 75.8 | 10.4 | 0 | 0 | 108 | ||||
| 296 | V | 35.6 | Very low | 31.2 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -175.6 | 93.4 | 139.8 | 170.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 297 | Q | 26.4 | Very low | 31.4 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -0.9 | 131 | 134.7 | -156.2 | 167.8 | -15.2 | 0 | 0 | 117.8 | ||||
| 298 | L | 34.6 | Very low | 31.9 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -168.6 | 79.8 | 147.7 | -102.3 | 161.2 | 0 | 0 | 0 | 108.5 | Q300 | L298-Q300 PolarHBondContact O-N 3.03Š| ||
| 299 | D | 27.6 | Very low | 32.3 | Very low | 166 Ų | 166 | 160.6 Ų | 160.6 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -76.8 | 99.1 | 160.1 | -69.8 | -49.7 | 0 | 0 | 0 | 107 | ||||
| 300 | Q | 32.5 | Very low | 32.8 | Very low | 138 Ų | 138 | 159.8 Ų | 159.8 | 65% | 0.645 | 82% | 0.817 | S | S | * | * | trans | -141.3 | 101.1 | 170.1 | -153.6 | 166.6 | 7.5 | 0 | 0 | 111.5 | L298 | L298-Q300 PolarHBondContact O-N 3.03Š| ||
| 301 | E | 29.7 | Very low | 33.4 | Very low | 160 Ų | 160 | 155.9 Ų | 155.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 66.6 | 119.5 | 131.3 | -61.5 | 178.1 | 146.9 | 0 | 0 | 120.9 | ||||
| 302 | C | 24.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | 79.3 | 98.7 | 127.1 | -150.5 | 0 | 0 | 0 | 0 | 118.4 | Q304 | C302-Q304 PolarHBondContact O-N 3.42Š| |||
| 303 | G | 27.8 | Very low | 36.7 | Very low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | 64.9 | 46.7 | 109.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 304 | Q | 31.3 | Very low | 38.7 | Very low | 184 Ų | 184 | 146.8 Ų | 146.8 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -102.4 | 116.5 | 162.5 | -65.2 | -171.4 | 12.2 | 0 | 0 | 109.3 | C302 L306 | C302-Q304 PolarHBondContact O-N 3.42Å; Q304-L306 PolarHBondContact O-N 3.34Å | ||
| 305 | G | 30.8 | Very low | 41.2 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | -40.8 | 130.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K307 | G305-K307 PolarHBondContact O-N 2.95Š| ||
| 306 | L | 33.6 | Very low | 43.9 | Very low | 176 Ų | 176 | 137 Ų | 137 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | trans | -62.5 | 79.9 | 172.2 | -70.3 | 164.5 | 0 | 0 | 0 | 108.9 | Q304 L308 | Q304-L306 PolarHBondContact O-N 3.34Å; L306-L308 PolarHBondContact O-N 3.12Å | ||
| 307 | K | 34.6 | Very low | 46.3 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -56 | 109.5 | 155 | -85.8 | 178 | 175.2 | 170.2 | 0 | 104.9 | G305 K309 | G305-K307 PolarHBondContact O-N 2.95Å; K307-K309 VanDerWaalsContact C-N 3.3Å; K307-K309 PolarHBondContact O-N 2.65Å | ||
| 308 | L | 37.9 | Very low | 49.2 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 91% | 0.906 | 68% | 0.68 | S | S | * | * | trans | -49.4 | 96.7 | 178.7 | -161.5 | 75 | 0 | 0 | 0 | 107.6 | L306 K310 | L306-L308 PolarHBondContact O-N 3.12Å; L308-K310 PolarHBondContact O-N 3.21Å | ||
| 309 | K | 42.4 | Very low | 51.1 | Low | 196 Ų | 196 | 126.6 Ų | 126.6 | 85% | 0.852 | 68% | 0.679 | S | S | * | * | trans | -67.7 | 107 | -178.6 | -74.4 | -179.2 | 178.4 | 174.5 | 0 | 104.9 | K307 D311 | K307-K309 VanDerWaalsContact C-N 3.3Å; K307-K309 PolarHBondContact O-N 2.65Å; K309-D311 PolarHBondContact O-N 2.87Å | ||
| 310 | K | 47.2 | Very low | 53.5 | Low | 191 Ų | 191 | 125.2 Ų | 125.2 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | trans | -46.8 | 113.7 | 167.6 | -86.7 | -177.7 | 173.5 | -178.6 | 0 | 106.8 | L308 T312 | L308-K310 PolarHBondContact O-N 3.21Å; K310-T312 PolarHBondContact O-N 3.29Å | ||
| 311 | D | 45.9 | Very low | 56 | Low | 114 Ų | 114 | 121.1 Ų | 121.1 | 61% | 0.61 | 65% | 0.653 | S | S | * | * | trans | -63.3 | 101.6 | -175.1 | -156 | -31.5 | 0 | 0 | 0 | 107.6 | K309 S313 R314 | K309-D311 PolarHBondContact O-N 2.87Å; D311-S313 PolarHBondContact O-N 3.08Å; D311-S313 PolarHBondContact OD1-OG 3Å; D311-R314 PolarHBondContact O-N 3.41Å; D311-R314 VanDerWaalsContact O-N 3.11Å | ||
| 312 | T | 59.1 | Low | 58.5 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -12.9 | -173.6 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | K310 R314 | K310-T312 PolarHBondContact O-N 3.29Å; T312-R314 VanDerWaalsContact C-N 3.27Å; T312-R314 PolarHBondContact O-N 3.48Å |
| 313 | S | 73.2 | Confident | 61.4 | Low | 45 Ų | 45 | 118.3 Ų | 118.3 | 32% | 0.315 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -17.6 | 176.8 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | D311 R326 | D311-S313 PolarHBondContact O-N 3.08Å; D311-S313 PolarHBondContact OD1-OG 3Å; S313-R326 WeakPolarHBondContact O-CG 3.43Å |
| 314 | R | 79 | Confident | 64.2 | Low | 127 Ų | 127 | 116.9 Ų | 116.9 | 48% | 0.479 | 61% | 0.605 | S | S | . | * | trans | -139.7 | 70 | -175.3 | -67.9 | 178.3 | 163.7 | -134.2 | 5.3 | 112.7 | D311 T312 Y316 T324 F325 R326 | D311-R314 PolarHBondContact O-N 3.41Å; D311-R314 VanDerWaalsContact O-N 3.11Å; T312-R314 VanDerWaalsContact C-N 3.27Å; T312-R314 PolarHBondContact O-N 3.48Å; R314-Y316 VanDerWaalsContact C-N 3.27Å; R314-Y316 PolarHBondContact O-N 3.44Å; R314-T324 PolarHBondContact NH1-O 2.87Å; R314-F325 CarbonylContact C-O 3.54Å; R314-F325 WeakPolarHBondContact CA-O 3.37Å; R314-R326 HydrophobicContact CG-CB 4.46Å | ||
| 315 | P | 83.9 | Confident | 67 | Low | 87 Ų | 87 | 109.4 Ų | 109.4 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | trans | -75.1 | -10.8 | -172.8 | 30 | -34.9 | 0 | 0 | 0 | 114.5 | ||||
| 316 | Y | 84.5 | Confident | 69.9 | Low | 95 Ų | 95 | 112.7 Ų | 112.7 | 37% | 0.373 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 102.4 | -172.5 | -58.1 | -72.4 | 0 | 0 | 0 | 111.5 | R314 T324 F325 R326 K328 | R314-Y316 VanDerWaalsContact C-N 3.27Å; R314-Y316 PolarHBondContact O-N 3.44Å; Y316-T324 CarbonylContact O-C 3.58Å; Y316-T324 WeakPolarHBondContact O-CA 3.38Å; Y316-F325 PolarHBondContact N-O 2.97Å; Y316-F325 PolarHBondContact O-N 2.81Å; Y316-R326 WeakPolarHBondContact CE2-O 3.25Å; Y316-K328 HydrophobicContact CD1-CB 4.28Å; Y316-K328 HydrophobicContact CE1-CB 4.01Å; Y316-K328 HydrophobicContact CE1-CG 4.42Å; Y316-K328 HydrophobicContact CE2-CB 4.37Å |
| 317 | E | 85 | Confident | 72.4 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 143 | -179.6 | -168.6 | 174.8 | 167 | 0 | 0 | 111.7 | T324 | E317-T324 HydrophobicContact CB-CG2 4.18Å; E317-T324 HydrophobicContact CG-CG2 4.03Å |
| 318 | C | 87.4 | Confident | 75 | Confident | 1 Ų | 1 | 109.1 Ų | 109.1 | 1% | 0.007 | 53% | 0.534 | C | S | . | . | trans | -84 | 124.5 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | E320 C321 E322 I323 F325 L331 H334 H338 | C318-E320 PolarHBondContact O-N 3.04Å; C318-E320 PolarHBondContact SG-N 2.78Å; C318-C321 PolarHBondContact O-N 3.25Å; C318-C321 VanDerWaalsContact SG-SG 3.6Å; C318-E322 WeakPolarHBondContact O-CA 3.47Å; C318-E322 PolarHBondContact O-N 3.29Å; C318-I323 PolarHBondContact N-O 2.86Å; C318-F325 HydrophobicContact CB-CE2 4.3Å; C318-L331 HydrophobicContact CB-CD1 3.74Å; C318-H334 VanDerWaalsContact SG-CD2 3.57Å; C318-H334 PolarHBondContact SG-NE2 3.12Å; C318-H338 PolarHBondContact SG-NE2 3.21Å | ||
| 319 | S | 75.6 | Confident | 77.3 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 75% | 0.748 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.8 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 320 | E | 78.4 | Confident | 79.5 | Confident | 137 Ų | 137 | 103.3 Ų | 103.3 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -24 | -176.6 | -60.2 | -66.1 | 150.5 | 0 | 0 | 113.2 | C318 | C318-E320 PolarHBondContact O-N 3.04Å; C318-E320 PolarHBondContact SG-N 2.78Å |
| 321 | C | 84.9 | Confident | 81.4 | Confident | 52 Ų | 52 | 95.4 Ų | 95.4 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.1 | 9.2 | -172.9 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | C318 I323 H334 | C318-C321 PolarHBondContact O-N 3.25Å; C318-C321 VanDerWaalsContact SG-SG 3.6Å; C321-I323 HydrophobicContact CB-CG1 4.5Å; C321-I323 PolarHBondContact O-N 2.76Å; C321-H334 PolarHBondContact SG-CE1 3.28Å; C321-H334 PolarHBondContact SG-NE2 3.08Å |
| 322 | E | 81.3 | Confident | 83.2 | Confident | 145 Ų | 145 | 92 Ų | 92 | 68% | 0.678 | 46% | 0.459 | S | S | * | . | trans | 59.8 | 14 | 173.1 | -57.6 | 177.9 | 178.7 | 0 | 0 | 114.9 | C318 T324 | C318-E322 WeakPolarHBondContact O-CA 3.47Å; C318-E322 PolarHBondContact O-N 3.29Å; E322-T324 PolarHBondContact O-N 3.2Å | ||
| 323 | I | 85.9 | Confident | 84 | Confident | 71 Ų | 71 | 89 Ų | 89 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | trans | -69.9 | 124.4 | 175.3 | -59.9 | 175.9 | 0 | 0 | 0 | 109.2 | C318 C321 F325 | C318-I323 PolarHBondContact N-O 2.86Å; C321-I323 HydrophobicContact CB-CG1 4.5Å; C321-I323 PolarHBondContact O-N 2.76Å; I323-F325 HydrophobicContact CB-CE2 3.92Å; I323-F325 HydrophobicContact CB-CZ 4.03Å; I323-F325 HydrophobicContact CG2-CD2 4.39Å; I323-F325 HydrophobicContact CG2-CE1 4.02Å; I323-F325 HydrophobicContact CG2-CE2 3.66Å; I323-F325 HydrophobicContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact O-CD2 3.3Å; I323-F325 WeakPolarHBondContact O-CD2 3.48Å; I323-F325 VanDerWaalsContact O-CE2 3.24Å; I323-F325 WeakPolarHBondContact O-CE2 3.38Å | ||
| 324 | T | 86.4 | Confident | 84.6 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 31% | 0.307 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138.4 | 176.9 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | R314 Y316 E317 E322 | R314-T324 PolarHBondContact NH1-O 2.87Å; Y316-T324 CarbonylContact O-C 3.58Å; Y316-T324 WeakPolarHBondContact O-CA 3.38Å; E317-T324 HydrophobicContact CB-CG2 4.18Å; E317-T324 HydrophobicContact CG-CG2 4.03Å; E322-T324 PolarHBondContact O-N 3.2Å |
| 325 | F | 91.2 | Very high | 84.5 | Confident | 28 Ų | 28 | 85.6 Ų | 85.6 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.5 | -176.1 | -62.7 | -83 | 0 | 0 | 0 | 110.8 | R314 Y316 C318 I323 Q330 L331 H334 | R314-F325 CarbonylContact C-O 3.54Å; R314-F325 WeakPolarHBondContact CA-O 3.37Å; Y316-F325 PolarHBondContact N-O 2.97Å; Y316-F325 PolarHBondContact O-N 2.81Å; C318-F325 HydrophobicContact CB-CE2 4.3Å; I323-F325 HydrophobicContact CB-CE2 3.92Å; I323-F325 HydrophobicContact CB-CZ 4.03Å; I323-F325 HydrophobicContact CG2-CD2 4.39Å; I323-F325 HydrophobicContact CG2-CE1 4.02Å; I323-F325 HydrophobicContact CG2-CE2 3.66Å; I323-F325 HydrophobicContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact CG2-CZ 3.43Å; I323-F325 VanDerWaalsContact O-CD2 3.3Å; I323-F325 WeakPolarHBondContact O-CD2 3.48Å; I323-F325 VanDerWaalsContact O-CE2 3.24Å; I323-F325 WeakPolarHBondContact O-CE2 3.38Å; F325-Q330 HydrophobicContact CB-CB 4.1Å; F325-Q330 HydrophobicContact CD1-CB 3.59Å; F325-Q330 HydrophobicContact CE1-CB 4.38Å; F325-Q330 HydrophobicContact CG-CB 4.11Å; F325-L331 HydrophobicContact CB-CB 4.38Å; F325-L331 HydrophobicContact CD2-CB 3.87Å; F325-L331 HydrophobicContact CD2-CD1 3.8Å; F325-L331 HydrophobicContact CD2-CG 4.42Å; F325-L331 HydrophobicContact CE2-CD1 3.87Å; F325-L331 HydrophobicContact CG-CB 4.25Å; F325-H334 HydrophobicContact CE1-CB 4.01Å; F325-H334 HydrophobicContact CE2-CB 3.94Å; F325-H334 AromaticContact CE2-CD2 3.51Å; F325-H334 AromaticContact CE2-CG 3.73Å; F325-H334 HydrophobicContact CZ-CB 3.4Å; F325-H334 AromaticContact CZ-CD2 3.57Å; F325-H334 AromaticContact CZ-CG 3.29Å; F325-H334 AromaticContact CZ-ND1 3.86Å |
| 326 | R | 89.7 | Confident | 84.2 | Confident | 142 Ų | 142 | 88.9 Ų | 88.9 | 54% | 0.536 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -75.6 | -33.7 | 177.6 | -179 | 176.5 | -107.6 | -169.6 | -6.3 | 112.1 | S313 R314 Y316 | S313-R326 WeakPolarHBondContact O-CG 3.43Å; R314-R326 HydrophobicContact CG-CB 4.46Å; Y316-R326 WeakPolarHBondContact CE2-O 3.25Å |
| 327 | Y | 87.1 | Confident | 83.3 | Confident | 135 Ų | 135 | 87.9 Ų | 87.9 | 53% | 0.529 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -128.9 | 144.2 | -176.8 | -55 | -66.2 | 0 | 0 | 0 | 112 | Q329 Q330 L331 | Y327-Q329 PolarHBondContact O-N 3.18Å; Y327-Q330 WeakPolarHBondContact O-CB 3.47Å; Y327-Q330 PolarHBondContact O-N 3.22Å; Y327-L331 PolarHBondContact O-N 3.3Å |
| 328 | K | 88.6 | Confident | 82.9 | Confident | 153 Ų | 153 | 85.7 Ų | 85.7 | 67% | 0.665 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57 | -32.6 | 177.3 | -167.1 | 176.4 | -176.8 | 177.4 | 0 | 113.4 | Y316 Q330 L331 A332 | Y316-K328 HydrophobicContact CD1-CB 4.28Å; Y316-K328 HydrophobicContact CE1-CB 4.01Å; Y316-K328 HydrophobicContact CE1-CG 4.42Å; Y316-K328 HydrophobicContact CE2-CB 4.37Å; K328-Q330 VanDerWaalsContact C-N 3.32Å; K328-Q330 PolarHBondContact O-N 3.09Å; K328-L331 PolarHBondContact O-N 3.07Å; K328-A332 PolarHBondContact O-N 3.44Å |
| 329 | Q | 86.4 | Confident | 81.5 | Confident | 165 Ų | 165 | 89.9 Ų | 89.9 | 77% | 0.771 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.2 | -36.9 | 175.4 | -92.5 | 176.8 | -14.3 | 0 | 0 | 112.8 | Y327 A332 T333 | Y327-Q329 PolarHBondContact O-N 3.18Å; Q329-A332 PolarHBondContact O-N 3.05Å; Q329-T333 WeakPolarHBondContact O-CG2 3.43Å; Q329-T333 PolarHBondContact O-N 3.39Å; Q329-T333 PolarHBondContact O-OG1 3.49Å |
| 330 | Q | 89.4 | Confident | 80 | Confident | 82 Ų | 82 | 87.9 Ų | 87.9 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 178.2 | -65.6 | 177.9 | -23.9 | 0 | 0 | 111.1 | F325 Y327 K328 A332 T333 H334 | F325-Q330 HydrophobicContact CB-CB 4.1Å; F325-Q330 HydrophobicContact CD1-CB 3.59Å; F325-Q330 HydrophobicContact CE1-CB 4.38Å; F325-Q330 HydrophobicContact CG-CB 4.11Å; Y327-Q330 WeakPolarHBondContact O-CB 3.47Å; Y327-Q330 PolarHBondContact O-N 3.22Å; K328-Q330 VanDerWaalsContact C-N 3.32Å; K328-Q330 PolarHBondContact O-N 3.09Å; Q330-A332 VanDerWaalsContact C-N 3.35Å; Q330-A332 PolarHBondContact O-N 3.47Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.35Å; Q330-T333 PolarHBondContact O-N 3.27Å; Q330-T333 PolarHBondContact O-OG1 3.48Å; Q330-H334 VanDerWaalsContact O-CB 3.3Å; Q330-H334 WeakPolarHBondContact O-CB 3.47Å; Q330-H334 PolarHBondContact O-N 3.32Å |
| 331 | L | 87.2 | Confident | 77.8 | Confident | 25 Ų | 25 | 92.3 Ų | 92.3 | 13% | 0.131 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 172 | 176.9 | 61.1 | 0 | 0 | 0 | 110.8 | C318 F325 Y327 K328 T333 H334 L335 | C318-L331 HydrophobicContact CB-CD1 3.74Å; F325-L331 HydrophobicContact CB-CB 4.38Å; F325-L331 HydrophobicContact CD2-CB 3.87Å; F325-L331 HydrophobicContact CD2-CD1 3.8Å; F325-L331 HydrophobicContact CD2-CG 4.42Å; F325-L331 HydrophobicContact CE2-CD1 3.87Å; F325-L331 HydrophobicContact CG-CB 4.25Å; Y327-L331 PolarHBondContact O-N 3.3Å; K328-L331 PolarHBondContact O-N 3.07Å; L331-T333 PolarHBondContact O-N 3.23Å; L331-H334 CarbonylContact O-C 3.59Å; L331-H334 WeakPolarHBondContact O-CA 3.44Å; L331-H334 WeakPolarHBondContact O-CB 3.26Å; L331-H334 PolarHBondContact O-N 3.44Å; L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 HydrophobicContact CD1-CD2 4.31Å; L331-L335 HydrophobicContact CD1-CG 4.05Å; L331-L335 HydrophobicContact CG-CD1 4.15Å; L331-L335 HydrophobicContact CG-CG 4.28Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 3.48Å |
| 332 | A | 82.2 | Confident | 75 | Confident | 42 Ų | 42 | 93.8 Ų | 93.8 | 35% | 0.347 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K328 Q329 Q330 H334 R336 | K328-A332 PolarHBondContact O-N 3.44Å; Q329-A332 PolarHBondContact O-N 3.05Å; Q330-A332 VanDerWaalsContact C-N 3.35Å; Q330-A332 PolarHBondContact O-N 3.47Å; A332-H334 VanDerWaalsContact C-N 3.29Å; A332-R336 PolarHBondContact O-N 3.19Å; A332-R336 PolarHBondContact O-NH1 3.5Å |
| 333 | T | 77.2 | Confident | 72.3 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 171.1 | 48.1 | 0 | 0 | 0 | 0 | 112 | Q329 Q330 L331 | Q329-T333 WeakPolarHBondContact O-CG2 3.43Å; Q329-T333 PolarHBondContact O-N 3.39Å; Q329-T333 PolarHBondContact O-OG1 3.49Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.35Å; Q330-T333 PolarHBondContact O-N 3.27Å; Q330-T333 PolarHBondContact O-OG1 3.48Å; L331-T333 PolarHBondContact O-N 3.23Å |
| 334 | H | 85.6 | Confident | 69.2 | Low | 27 Ų | 27 | 94.1 Ų | 94.1 | 13% | 0.125 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -73.4 | -39 | 179.2 | 169.3 | 70.6 | 0 | 0 | 0 | 112.4 | C318 C321 F325 Q330 L331 A332 R336 S337 H338 | C318-H334 VanDerWaalsContact SG-CD2 3.57Å; C318-H334 PolarHBondContact SG-NE2 3.12Å; C321-H334 PolarHBondContact SG-CE1 3.28Å; C321-H334 PolarHBondContact SG-NE2 3.08Å; F325-H334 HydrophobicContact CE1-CB 4.01Å; F325-H334 HydrophobicContact CE2-CB 3.94Å; F325-H334 AromaticContact CE2-CD2 3.51Å; F325-H334 AromaticContact CE2-CG 3.73Å; F325-H334 HydrophobicContact CZ-CB 3.4Å; F325-H334 AromaticContact CZ-CD2 3.57Å; F325-H334 AromaticContact CZ-CG 3.29Å; F325-H334 AromaticContact CZ-ND1 3.86Å; Q330-H334 VanDerWaalsContact O-CB 3.3Å; Q330-H334 WeakPolarHBondContact O-CB 3.47Å; Q330-H334 PolarHBondContact O-N 3.32Å; L331-H334 CarbonylContact O-C 3.59Å; L331-H334 WeakPolarHBondContact O-CA 3.44Å; L331-H334 WeakPolarHBondContact O-CB 3.26Å; L331-H334 PolarHBondContact O-N 3.44Å; A332-H334 VanDerWaalsContact C-N 3.29Å; H334-R336 PolarHBondContact O-N 3.25Å; H334-S337 WeakPolarHBondContact O-CA 3.41Å; H334-S337 VanDerWaalsContact O-CB 3.3Å; H334-S337 WeakPolarHBondContact O-CB 3.35Å; H334-S337 PolarHBondContact O-N 3.07Å; H334-S337 PolarHBondContact O-OG 3.49Å; H334-H338 AromaticContact CD2-NE2 3.86Å; H334-H338 AromaticContact CE1-NE2 3.53Å; H334-H338 AromaticContact NE2-CD2 3.87Å; H334-H338 AromaticContact NE2-CE1 3.96Å; H334-H338 AromaticContact NE2-NE2 3.05Å; H334-H338 PolarHBondContact NE2-NE2 2.93Å |
| 335 | L | 77.6 | Confident | 66.3 | Low | 74 Ų | 74 | 98.5 Ų | 98.5 | 39% | 0.387 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -29.5 | 174.7 | -69.5 | 174.8 | 0 | 0 | 0 | 112.3 | L331 S337 H338 S339 | L331-L335 HydrophobicContact CD1-CD1 4.36Å; L331-L335 HydrophobicContact CD1-CD2 4.31Å; L331-L335 HydrophobicContact CD1-CG 4.05Å; L331-L335 HydrophobicContact CG-CD1 4.15Å; L331-L335 HydrophobicContact CG-CG 4.28Å; L331-L335 WeakPolarHBondContact O-CG 3.47Å; L331-L335 PolarHBondContact O-N 3.48Å; L335-S337 PolarHBondContact O-N 2.99Å; L335-H338 WeakPolarHBondContact O-CB 3.45Å; L335-H338 PolarHBondContact O-N 3.44Å; L335-H338 VanDerWaalsContact O-N 3.08Å; L335-S339 PolarHBondContact O-N 3Å |
| 336 | R | 77 | Confident | 63.2 | Low | 155 Ų | 155 | 102.7 Ų | 102.7 | 59% | 0.585 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -17.6 | 171.1 | -68.6 | -169.8 | -64.5 | -91.8 | 13 | 114.1 | A332 H334 S339 | A332-R336 PolarHBondContact O-N 3.19Å; A332-R336 PolarHBondContact O-NH1 3.5Å; H334-R336 PolarHBondContact O-N 3.25Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.32Å; R336-S339 PolarHBondContact O-OG 3.37Å |
| 337 | S | 66.4 | Low | 60 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -78.2 | -25.8 | 171.4 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | H334 L335 | H334-S337 WeakPolarHBondContact O-CA 3.41Å; H334-S337 VanDerWaalsContact O-CB 3.3Å; H334-S337 WeakPolarHBondContact O-CB 3.35Å; H334-S337 PolarHBondContact O-N 3.07Å; H334-S337 PolarHBondContact O-OG 3.49Å; L335-S337 PolarHBondContact O-N 2.99Å |
| 338 | H | 74.8 | Confident | 57 | Low | 59 Ų | 59 | 107.5 Ų | 107.5 | 27% | 0.273 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -74.1 | -34.6 | 169.9 | -64 | -56.2 | 0 | 0 | 0 | 111.9 | C318 H334 L335 G340 W341 | C318-H338 PolarHBondContact SG-NE2 3.21Å; H334-H338 AromaticContact CD2-NE2 3.86Å; H334-H338 AromaticContact CE1-NE2 3.53Å; H334-H338 AromaticContact NE2-CD2 3.87Å; H334-H338 AromaticContact NE2-CE1 3.96Å; H334-H338 AromaticContact NE2-NE2 3.05Å; H334-H338 PolarHBondContact NE2-NE2 2.93Å; L335-H338 WeakPolarHBondContact O-CB 3.45Å; L335-H338 PolarHBondContact O-N 3.44Å; L335-H338 VanDerWaalsContact O-N 3.08Å; H338-G340 PolarHBondContact O-N 3.35Å; H338-W341 PolarHBondContact O-N 2.94Å |
| 339 | S | 58.5 | Low | 54 | Low | 90 Ų | 90 | 105 Ų | 105 | 63% | 0.629 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 13.3 | 175.2 | 68.6 | 0 | 0 | 0 | 0 | 114.7 | L335 R336 W341 | L335-S339 PolarHBondContact O-N 3Å; R336-S339 VanDerWaalsContact CA-OG 3.32Å; R336-S339 WeakPolarHBondContact CA-OG 3.32Å; R336-S339 PolarHBondContact O-OG 3.37Å; S339-W341 PolarHBondContact O-N 3.32Å |
| 340 | G | 44 | Very low | 51.2 | Low | 64 Ų | 64 | 105.1 Ų | 105.1 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -4.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H338 | H338-G340 PolarHBondContact O-N 3.35Š|
| 341 | W | 31.6 | Very low | 48.1 | Very low | 230 Ų | 230 | 109.7 Ų | 109.7 | 87% | 0.871 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -113.8 | 110.6 | -176.9 | -76.4 | 55 | 0 | 0 | 0 | 110 | H338 S339 S343 | H338-W341 PolarHBondContact O-N 2.94Å; S339-W341 PolarHBondContact O-N 3.32Å; W341-S343 PolarHBondContact O-N 3.4Å |
| 342 | G | 26.3 | Very low | 45.3 | Very low | 84 Ų | 84 | 113.7 Ų | 113.7 | 87% | 0.866 | 65% | 0.651 | S | S | * | * | trans | -64.4 | 121.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 343 | S | 24.2 | Very low | 42.6 | Very low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | trans | -147.2 | 103.4 | 152 | 71 | 0 | 0 | 0 | 0 | 106.8 | W341 | W341-S343 PolarHBondContact O-N 3.4Š| ||
| 344 | C | 21.7 | Very low | 40.2 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | 74.1 | 98.8 | 103 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 345 | T | 25.8 | Very low | 37.5 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | -138.1 | 139.9 | 137.1 | 51.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 346 | P | 26.7 | Very low | 35 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | trans | -87.7 | 144.2 | -169.3 | 3.6 | 18.5 | 0 | 0 | 0 | 111.6 | ||||
| 347 | E | 20.9 | Very low | 32.7 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | 10.5 | 109 | 144.2 | -53.1 | -85.9 | 106.6 | 0 | 0 | 116.3 | ||||
| 348 | E | 25.4 | Very low | 30.9 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 140.9 | 146.3 | -96 | -97.3 | 119.3 | 0 | 0 | 107.9 | ||||
| 349 | P | 25.7 | Very low | 28.6 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 65% | 0.649 | 81% | 0.811 | S | S | * | * | trans | -106.1 | 160.8 | -160.1 | 36 | -21.7 | 0 | 0 | 0 | 113.4 | ||||
| 350 | E | 26 | Very low | 27.2 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 81.4 | 113.1 | 152.4 | -57.9 | -100.3 | 106.2 | 0 | 0 | 119.5 | ||||
| 351 | E | 24.4 | Very low | 26.4 | Very low | 178 Ų | 178 | 158.1 Ų | 158.1 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 45.3 | 91.8 | 139.8 | -71 | -172.1 | 128.6 | 0 | 0 | 119.5 | ||||
| 352 | S | 28.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 156 Ų | 156 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -140.8 | 99.9 | 152.1 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | R354 | S352-R354 PolarHBondContact O-N 3.34Š| ||
| 353 | L | 24.9 | Very low | 27.1 | Very low | 176 Ų | 176 | 158 Ų | 158 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -34.8 | 105.2 | 171.1 | -64.5 | 159.1 | 0 | 0 | 0 | 114.2 | ||||
| 354 | R | 27.1 | Very low | 27.8 | Very low | 231 Ų | 231 | 162.5 Ų | 162.5 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -145.5 | 152.6 | 158 | -78.7 | -157.9 | -151.1 | -100.3 | -0.5 | 112.1 | S352 | S352-R354 PolarHBondContact O-N 3.34Š| ||
| 355 | P | 29.7 | Very low | 28.8 | Very low | 115 Ų | 115 | 166.1 Ų | 166.1 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | -90.3 | 154.3 | -126.7 | 33.6 | -36.3 | 0 | 0 | 0 | 113.9 | |||||
| 356 | R | 24.7 | Very low | 29.9 | Very low | 240 Ų | 240 | 163.2 Ų | 163.2 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -35 | 121.3 | 178.3 | -81.3 | -179.9 | 171 | -138.9 | -1.2 | 112.7 | R358 | R356-R358 PolarHBondContact O-N 3.47Š| ||
| 357 | P | 30 | Very low | 31.1 | Very low | 123 Ų | 123 | 167 Ų | 167 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -59.5 | 123.9 | 173.3 | -18.4 | 29.6 | 0 | 0 | 0 | 109.2 | L359 | P357-L359 PolarHBondContact O-N 3.41Å; P357-L359 VanDerWaalsContact O-N 3.11Å | ||
| 358 | R | 26.7 | Very low | 33.8 | Very low | 238 Ų | 238 | 162.6 Ų | 162.6 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | -46.4 | 122.5 | 164.6 | -87.5 | -177.6 | 173.2 | -160.9 | -1.6 | 107.8 | R356 K360 | R356-R358 PolarHBondContact O-N 3.47Å; R358-K360 VanDerWaalsContact C-N 3.28Å; R358-K360 PolarHBondContact O-N 2.98Å | ||
| 359 | L | 26.5 | Very low | 36.4 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -51.5 | 95.9 | 169.6 | -76 | 157.8 | 0 | 0 | 0 | 107.6 | P357 | P357-L359 PolarHBondContact O-N 3.41Å; P357-L359 VanDerWaalsContact O-N 3.11Å | ||
| 360 | K | 29.2 | Very low | 39 | Very low | 186 Ų | 186 | 156.4 Ų | 156.4 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 136.3 | 167.5 | -75.3 | -178.2 | 179.9 | 176.3 | 0 | 105.7 | R358 Q362 | R358-K360 VanDerWaalsContact C-N 3.28Å; R358-K360 PolarHBondContact O-N 2.98Å; K360-Q362 PolarHBondContact O-N 3.29Å | ||
| 361 | P | 28.9 | Very low | 41.6 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -49.6 | 132.4 | -178.3 | -19.8 | 29.1 | 0 | 0 | 0 | 107.3 | T363 | P361-T363 PolarHBondContact O-N 2.96Š| ||
| 362 | Q | 32.3 | Very low | 44.1 | Very low | 186 Ų | 186 | 146.2 Ų | 146.2 | 87% | 0.869 | 72% | 0.721 | S | S | * | * | trans | -60.2 | 90.6 | 172 | -66.8 | -151.9 | -2 | 0 | 0 | 107.1 | K360 K364 | K360-Q362 PolarHBondContact O-N 3.29Å; Q362-K364 PolarHBondContact O-N 3.32Å | ||
| 363 | T | 38.7 | Very low | 46.5 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 72% | 0.716 | S | S | * | * | trans | -63.5 | 94.7 | 160.7 | 52.9 | 0 | 0 | 0 | 0 | 102.2 | P361 K365 | P361-T363 PolarHBondContact O-N 2.96Å; T363-K365 PolarHBondContact O-N 3.06Å | ||
| 364 | K | 40 | Very low | 49.2 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | trans | -36.5 | 109.4 | 177.4 | -66.7 | 176.9 | 178.5 | 179.2 | 0 | 105.5 | Q362 A366 | Q362-K364 PolarHBondContact O-N 3.32Å; K364-A366 PolarHBondContact O-N 3.13Å | ||
| 365 | K | 41.5 | Very low | 51.4 | Low | 200 Ų | 200 | 134.8 Ų | 134.8 | 87% | 0.87 | 68% | 0.677 | S | S | * | * | trans | -47.1 | 111.8 | -177.1 | -79.6 | 175.9 | 176.1 | 175.5 | 0 | 105 | T363 K367 | T363-K365 PolarHBondContact O-N 3.06Å; K365-K367 PolarHBondContact O-N 3.28Å | ||
| 366 | A | 49.9 | Very low | 53.8 | Low | 80 Ų | 80 | 137.2 Ų | 137.2 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | trans | -52.5 | 119.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | K364 L368 | K364-A366 PolarHBondContact O-N 3.13Å; A366-L368 VanDerWaalsContact C-N 3.29Å; A366-L368 HydrophobicContact CB-CD1 4.47Å; A366-L368 WeakPolarHBondContact O-CD1 3.17Å; A366-L368 PolarHBondContact O-N 3.4Å | ||
| 367 | K | 51.5 | Low | 56.1 | Low | 197 Ų | 197 | 128.8 Ų | 128.8 | 86% | 0.857 | 65% | 0.649 | S | S | * | * | trans | -67 | 95.5 | -175.3 | -168.1 | 173.8 | -175.3 | 177.5 | 0 | 106.2 | K365 | K365-K367 PolarHBondContact O-N 3.28Š| ||
| 368 | L | 77.5 | Confident | 58.5 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | trans | -66.1 | 148.3 | 174.5 | -90.3 | 71.8 | 0 | 0 | 0 | 108.5 | A366 S377 F378 | A366-L368 VanDerWaalsContact C-N 3.29Å; A366-L368 HydrophobicContact CB-CD1 4.47Å; A366-L368 WeakPolarHBondContact O-CD1 3.17Å; A366-L368 PolarHBondContact O-N 3.4Å; L368-S377 VanDerWaalsContact CD2-CB 3.42Å; L368-F378 WeakPolarHBondContact CA-O 3.48Å | ||
| 369 | H | 79.5 | Confident | 60.6 | Low | 65 Ų | 65 | 118.8 Ų | 118.8 | 30% | 0.301 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 109.3 | 175.8 | -64.2 | -75.4 | 0 | 0 | 0 | 108 | F378 K381 L384 | H369-F378 HydrophobicContact CB-CB 4.31Å; H369-F378 PolarHBondContact N-O 3.24Å; H369-F378 WeakPolarHBondContact O-CB 2.98Å; H369-F378 WeakPolarHBondContact O-CD2 3.19Å; H369-F378 PolarHBondContact O-N 3.33Å; H369-K381 PolarHBondContact CD2-N 3.5Å; H369-K381 PolarHBondContact NE2-N 2.83Å; H369-L384 HydrophobicContact CB-CB 3.85Å; H369-L384 HydrophobicContact CB-CD2 3.7Å; H369-L384 HydrophobicContact CB-CG 4.34Å |
| 370 | Q | 80.1 | Confident | 62.5 | Low | 94 Ų | 94 | 113.2 Ų | 113.2 | 44% | 0.439 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 142.5 | -178.7 | -164.9 | 168.6 | 16.2 | 0 | 0 | 110.3 | L375 R376 L384 | Q370-L375 WeakPolarHBondContact CG-O 3.45Å; Q370-L375 PolarHBondContact NE2-O 2.98Å; Q370-R376 CarbonylContact C-O 3.35Å; Q370-R376 WeakPolarHBondContact CA-O 3.36Å; Q370-L384 WeakPolarHBondContact O-CD2 3.49Å |
| 371 | C | 82.1 | Confident | 64.8 | Low | 0 Ų | 0 | 111 Ų | 111 | 0% | 0 | 58% | 0.58 | C | S | . | * | trans | -82.6 | 127.1 | 170 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | V373 L375 R376 F378 L384 H387 H391 | C371-V373 VanDerWaalsContact C-N 3.25Å; C371-V373 PolarHBondContact O-N 2.88Å; C371-L375 WeakPolarHBondContact O-CA 3.49Å; C371-L375 PolarHBondContact O-N 3.33Å; C371-R376 PolarHBondContact N-O 2.77Å; C371-F378 HydrophobicContact CB-CE2 4.23Å; C371-L384 VanDerWaalsContact CA-CD1 3.48Å; C371-L384 HydrophobicContact CB-CD1 3.63Å; C371-H387 VanDerWaalsContact CB-CD2 3.45Å; C371-H387 WeakPolarHBondContact CB-CD2 3.41Å; C371-H387 WeakPolarHBondContact CB-NE2 3.1Å; C371-H387 VanDerWaalsContact SG-CD2 3.51Å; C371-H387 PolarHBondContact SG-NE2 3.29Å; C371-H391 PolarHBondContact SG-NE2 3.44Å | ||
| 372 | D | 77.2 | Confident | 67 | Low | 132 Ų | 132 | 110.5 Ų | 110.5 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -20.9 | -176.9 | -51.6 | -40.5 | 0 | 0 | 0 | 113.1 | ||
| 373 | V | 77.5 | Confident | 68.9 | Low | 106 Ų | 106 | 103 Ų | 103 | 64% | 0.642 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -46.5 | -178.7 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | C371 | C371-V373 VanDerWaalsContact C-N 3.25Å; C371-V373 PolarHBondContact O-N 2.88Å |
| 374 | C | 83.2 | Confident | 70.8 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 38% | 0.378 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 9 | -176.4 | 81.5 | 0 | 0 | 0 | 0 | 114.2 | R376 H387 | C374-R376 PolarHBondContact O-N 2.86Å; C374-R376 WeakPolarHBondContact SG-CB 3.5Å; C374-H387 PolarHBondContact SG-CE1 3.48Å; C374-H387 PolarHBondContact SG-NE2 3.21Å |
| 375 | L | 73.6 | Confident | 72.4 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 59% | 0.592 | 49% | 0.485 | S | S | * | . | trans | 55 | 21.5 | 177.3 | -58.7 | -177.4 | 0 | 0 | 0 | 115.4 | Q370 C371 | Q370-L375 WeakPolarHBondContact CG-O 3.45Å; Q370-L375 PolarHBondContact NE2-O 2.98Å; C371-L375 WeakPolarHBondContact O-CA 3.49Å; C371-L375 PolarHBondContact O-N 3.33Å | ||
| 376 | R | 78.2 | Confident | 73.5 | Confident | 167 Ų | 167 | 84.8 Ų | 84.8 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | trans | -83.8 | 133.6 | -177.7 | -157.8 | 167.7 | -175.6 | 159.8 | -0.1 | 110.1 | Q370 C371 C374 F378 | Q370-R376 CarbonylContact C-O 3.35Å; Q370-R376 WeakPolarHBondContact CA-O 3.36Å; C371-R376 PolarHBondContact N-O 2.77Å; C374-R376 PolarHBondContact O-N 2.86Å; C374-R376 WeakPolarHBondContact SG-CB 3.5Å; R376-F378 HydrophobicContact CB-CE2 3.97Å; R376-F378 HydrophobicContact CB-CZ 4.28Å; R376-F378 HydrophobicContact CG-CE2 4.32Å; R376-F378 HydrophobicContact CG-CZ 4.23Å; R376-F378 VanDerWaalsContact O-CD2 3.26Å; R376-F378 WeakPolarHBondContact O-CD2 3.41Å; R376-F378 VanDerWaalsContact O-CE2 3.25Å; R376-F378 WeakPolarHBondContact O-CE2 3.5Å | ||
| 377 | S | 74 | Confident | 74.9 | Confident | 63 Ų | 63 | 82.5 Ų | 82.5 | 44% | 0.441 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135 | -173.7 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | L368 | L368-S377 VanDerWaalsContact CD2-CB 3.42Å |
| 378 | F | 79.9 | Confident | 75.8 | Confident | 35 Ų | 35 | 76 Ų | 76 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.6 | -174 | -66.4 | -87.4 | 0 | 0 | 0 | 111.2 | L368 H369 C371 R376 S383 L384 H387 | L368-F378 WeakPolarHBondContact CA-O 3.48Å; H369-F378 HydrophobicContact CB-CB 4.31Å; H369-F378 PolarHBondContact N-O 3.24Å; H369-F378 WeakPolarHBondContact O-CB 2.98Å; H369-F378 WeakPolarHBondContact O-CD2 3.19Å; H369-F378 PolarHBondContact O-N 3.33Å; C371-F378 HydrophobicContact CB-CE2 4.23Å; R376-F378 HydrophobicContact CB-CE2 3.97Å; R376-F378 HydrophobicContact CB-CZ 4.28Å; R376-F378 HydrophobicContact CG-CE2 4.32Å; R376-F378 HydrophobicContact CG-CZ 4.23Å; R376-F378 VanDerWaalsContact O-CD2 3.26Å; R376-F378 WeakPolarHBondContact O-CD2 3.41Å; R376-F378 VanDerWaalsContact O-CE2 3.25Å; R376-F378 WeakPolarHBondContact O-CE2 3.5Å; F378-S383 WeakPolarHBondContact CB-OG 3.45Å; F378-L384 HydrophobicContact CB-CB 4.2Å; F378-L384 HydrophobicContact CD2-CB 4.05Å; F378-L384 HydrophobicContact CD2-CD1 3.79Å; F378-L384 HydrophobicContact CE2-CD1 4.06Å; F378-L384 HydrophobicContact CG-CB 4.22Å; F378-H387 HydrophobicContact CE1-CB 3.8Å; F378-H387 HydrophobicContact CE2-CB 3.89Å; F378-H387 AromaticContact CE2-CD2 3.47Å; F378-H387 VanDerWaalsContact CE2-CD2 3.47Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.48Å; F378-H387 AromaticContact CE2-CG 3.64Å; F378-H387 HydrophobicContact CZ-CB 3.33Å; F378-H387 AromaticContact CZ-CD2 3.54Å; F378-H387 AromaticContact CZ-CG 3.19Å; F378-H387 AromaticContact CZ-ND1 3.76Å |
| 379 | S | 72.2 | Confident | 75.2 | Confident | 115 Ų | 115 | 77.7 Ų | 77.7 | 80% | 0.804 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -77.7 | -19.2 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 380 | C | 66.1 | Low | 74.4 | Confident | 57 Ų | 57 | 78.3 Ų | 78.3 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -140 | 146.9 | 177 | 78.1 | 0 | 0 | 0 | 0 | 112.7 | V382 S383 L384 | C380-V382 VanDerWaalsContact C-N 3.26Å; C380-V382 PolarHBondContact O-N 3.16Å; C380-S383 PolarHBondContact O-N 2.98Å; C380-S383 VanDerWaalsContact O-N 3.12Å; C380-S383 PolarHBondContact O-OG 2.99Å; C380-S383 VanDerWaalsContact SG-CB 3.53Å; C380-S383 PolarHBondContact SG-N 3.39Å; C380-S383 VanDerWaalsContact SG-N 3.35Å; C380-S383 PolarHBondContact SG-OG 3.44Å; C380-L384 PolarHBondContact O-N 3.38Å |
| 381 | K | 77.4 | Confident | 74 | Confident | 141 Ų | 141 | 76.5 Ų | 76.5 | 61% | 0.613 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.6 | -37.3 | -180 | -171.4 | 177 | 178.3 | -178.2 | 0 | 112.7 | H369 S383 L384 V385 | H369-K381 PolarHBondContact CD2-N 3.5Å; H369-K381 PolarHBondContact NE2-N 2.83Å; K381-S383 VanDerWaalsContact C-N 3.33Å; K381-S383 PolarHBondContact O-N 3.24Å; K381-L384 PolarHBondContact O-N 3.21Å; K381-V385 HydrophobicContact CG-CG2 4.44Å; K381-V385 WeakPolarHBondContact O-CG2 3.46Å; K381-V385 PolarHBondContact O-N 3.15Å |
| 382 | V | 73.7 | Confident | 72.6 | Confident | 99 Ų | 99 | 83.5 Ų | 83.5 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.2 | -44.6 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | C380 L384 V385 T386 | C380-V382 VanDerWaalsContact C-N 3.26Å; C380-V382 PolarHBondContact O-N 3.16Å; V382-L384 PolarHBondContact O-N 3.02Å; V382-V385 PolarHBondContact O-N 3.49Å; V382-T386 PolarHBondContact O-N 3.46Å; V382-T386 PolarHBondContact O-OG1 3.43Å |
| 383 | S | 74.1 | Confident | 71 | Confident | 30 Ų | 30 | 85.3 Ų | 85.3 | 21% | 0.21 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 178.3 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | F378 C380 K381 T386 H387 | F378-S383 WeakPolarHBondContact CB-OG 3.45Å; C380-S383 PolarHBondContact O-N 2.98Å; C380-S383 VanDerWaalsContact O-N 3.12Å; C380-S383 PolarHBondContact O-OG 2.99Å; C380-S383 VanDerWaalsContact SG-CB 3.53Å; C380-S383 PolarHBondContact SG-N 3.39Å; C380-S383 VanDerWaalsContact SG-N 3.35Å; C380-S383 PolarHBondContact SG-OG 3.44Å; K381-S383 VanDerWaalsContact C-N 3.33Å; K381-S383 PolarHBondContact O-N 3.24Å; S383-T386 VanDerWaalsContact CA-OG1 3.26Å; S383-T386 WeakPolarHBondContact CA-OG1 3.02Å; S383-T386 PolarHBondContact O-OG1 3.26Å; S383-H387 WeakPolarHBondContact O-CB 3.45Å; S383-H387 PolarHBondContact O-N 3.34Å |
| 384 | L | 76.9 | Confident | 69.2 | Low | 17 Ų | 17 | 87 Ų | 87 | 9% | 0.089 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63 | -49.3 | 171.6 | 170.7 | 63.6 | 0 | 0 | 0 | 111.1 | H369 Q370 C371 F378 C380 K381 V382 T386 H387 Q388 | H369-L384 HydrophobicContact CB-CB 3.85Å; H369-L384 HydrophobicContact CB-CD2 3.7Å; H369-L384 HydrophobicContact CB-CG 4.34Å; Q370-L384 WeakPolarHBondContact O-CD2 3.49Å; C371-L384 VanDerWaalsContact CA-CD1 3.48Å; C371-L384 HydrophobicContact CB-CD1 3.63Å; F378-L384 HydrophobicContact CB-CB 4.2Å; F378-L384 HydrophobicContact CD2-CB 4.05Å; F378-L384 HydrophobicContact CD2-CD1 3.79Å; F378-L384 HydrophobicContact CE2-CD1 4.06Å; F378-L384 HydrophobicContact CG-CB 4.22Å; C380-L384 PolarHBondContact O-N 3.38Å; K381-L384 PolarHBondContact O-N 3.21Å; V382-L384 PolarHBondContact O-N 3.02Å; L384-T386 VanDerWaalsContact C-N 3.34Å; L384-T386 PolarHBondContact O-N 3.23Å; L384-H387 CarbonylContact O-C 3.58Å; L384-H387 WeakPolarHBondContact O-CA 3.41Å; L384-H387 WeakPolarHBondContact O-CB 3.49Å; L384-H387 PolarHBondContact O-N 3.35Å; L384-H387 VanDerWaalsContact O-N 3.08Å; L384-Q388 HydrophobicContact CD1-CG 3.95Å; L384-Q388 HydrophobicContact CG-CG 4.32Å; L384-Q388 WeakPolarHBondContact O-CG 3.38Å; L384-Q388 PolarHBondContact O-N 3.18Å |
| 385 | V | 73.3 | Confident | 66.7 | Low | 51 Ų | 51 | 86.8 Ų | 86.8 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | -178.4 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | K381 V382 H387 Q388 R389 | K381-V385 HydrophobicContact CG-CG2 4.44Å; K381-V385 WeakPolarHBondContact O-CG2 3.46Å; K381-V385 PolarHBondContact O-N 3.15Å; V382-V385 PolarHBondContact O-N 3.49Å; V385-H387 VanDerWaalsContact C-N 3.29Å; V385-H387 PolarHBondContact O-N 2.93Å; V385-Q388 PolarHBondContact O-N 3.03Å; V385-R389 WeakPolarHBondContact O-CG 3.47Å; V385-R389 PolarHBondContact O-N 2.99Å |
| 386 | T | 64.7 | Low | 65 | Low | 68 Ų | 68 | 87.8 Ų | 87.8 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 173.5 | 44.8 | 0 | 0 | 0 | 0 | 112.7 | V382 S383 L384 R389 | V382-T386 PolarHBondContact O-N 3.46Å; V382-T386 PolarHBondContact O-OG1 3.43Å; S383-T386 VanDerWaalsContact CA-OG1 3.26Å; S383-T386 WeakPolarHBondContact CA-OG1 3.02Å; S383-T386 PolarHBondContact O-OG1 3.26Å; L384-T386 VanDerWaalsContact C-N 3.34Å; L384-T386 PolarHBondContact O-N 3.23Å; T386-R389 PolarHBondContact O-N 3.5Å |
| 387 | H | 79.9 | Confident | 62.9 | Low | 31 Ų | 31 | 85.7 Ų | 85.7 | 14% | 0.144 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -70.1 | -40.2 | 174.4 | 166.3 | 72.2 | 0 | 0 | 0 | 112 | C371 C374 F378 S383 L384 V385 R389 C390 H391 | C371-H387 VanDerWaalsContact CB-CD2 3.45Å; C371-H387 WeakPolarHBondContact CB-CD2 3.41Å; C371-H387 WeakPolarHBondContact CB-NE2 3.1Å; C371-H387 VanDerWaalsContact SG-CD2 3.51Å; C371-H387 PolarHBondContact SG-NE2 3.29Å; C374-H387 PolarHBondContact SG-CE1 3.48Å; C374-H387 PolarHBondContact SG-NE2 3.21Å; F378-H387 HydrophobicContact CE1-CB 3.8Å; F378-H387 HydrophobicContact CE2-CB 3.89Å; F378-H387 AromaticContact CE2-CD2 3.47Å; F378-H387 VanDerWaalsContact CE2-CD2 3.47Å; F378-H387 WeakPolarHBondContact CE2-CD2 3.48Å; F378-H387 AromaticContact CE2-CG 3.64Å; F378-H387 HydrophobicContact CZ-CB 3.33Å; F378-H387 AromaticContact CZ-CD2 3.54Å; F378-H387 AromaticContact CZ-CG 3.19Å; F378-H387 AromaticContact CZ-ND1 3.76Å; S383-H387 WeakPolarHBondContact O-CB 3.45Å; S383-H387 PolarHBondContact O-N 3.34Å; L384-H387 CarbonylContact O-C 3.58Å; L384-H387 WeakPolarHBondContact O-CA 3.41Å; L384-H387 WeakPolarHBondContact O-CB 3.49Å; L384-H387 PolarHBondContact O-N 3.35Å; L384-H387 VanDerWaalsContact O-N 3.08Å; V385-H387 VanDerWaalsContact C-N 3.29Å; V385-H387 PolarHBondContact O-N 2.93Å; H387-R389 PolarHBondContact O-N 2.86Å; H387-C390 WeakPolarHBondContact O-CB 3.45Å; H387-C390 PolarHBondContact O-N 3.35Å; H387-H391 AromaticContact CD2-NE2 3.99Å; H387-H391 AromaticContact CE1-NE2 3.57Å; H387-H391 AromaticContact NE2-CD2 3.97Å; H387-H391 AromaticContact NE2-NE2 3.13Å; H387-H391 PolarHBondContact NE2-NE2 3.31Å; H387-H391 VanDerWaalsContact NE2-NE2 3.13Å |
| 388 | Q | 70.9 | Confident | 60.8 | Low | 61 Ų | 61 | 87.1 Ų | 87.1 | 29% | 0.285 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -31.5 | 175.6 | -75.8 | 173.2 | -32.1 | 0 | 0 | 112.2 | L384 V385 C390 H391 L392 | L384-Q388 HydrophobicContact CD1-CG 3.95Å; L384-Q388 HydrophobicContact CG-CG 4.32Å; L384-Q388 WeakPolarHBondContact O-CG 3.38Å; L384-Q388 PolarHBondContact O-N 3.18Å; V385-Q388 PolarHBondContact O-N 3.03Å; Q388-C390 PolarHBondContact O-N 2.84Å; Q388-H391 WeakPolarHBondContact O-CB 3.41Å; Q388-H391 PolarHBondContact O-N 2.99Å; Q388-L392 WeakPolarHBondContact O-CD1 3.4Å; Q388-L392 PolarHBondContact O-N 3.14Å |
| 389 | R | 65.2 | Low | 58.3 | Low | 130 Ų | 130 | 88.7 Ų | 88.7 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -22.8 | 172.2 | -69.1 | 174.3 | -172.8 | 174.9 | 0.5 | 113.2 | V385 T386 H387 H391 L392 E452 | V385-R389 WeakPolarHBondContact O-CG 3.47Å; V385-R389 PolarHBondContact O-N 2.99Å; T386-R389 PolarHBondContact O-N 3.5Å; H387-R389 PolarHBondContact O-N 2.86Å; R389-H391 VanDerWaalsContact C-N 3.25Å; R389-H391 PolarHBondContact O-N 3.12Å; R389-L392 PolarHBondContact O-N 3.33Å; R389-E452 IonicContact CZ-OE1 3.73Å; R389-E452 IonicContact NH1-OE1 3.01Å; R389-E452 PolarHBondContact NH1-OE1 3.29Å; R389-E452 IonicContact NH2-OE1 3.45Å; R389-E452 PolarHBondContact NH2-OE1 2.95Å |
| 390 | C | 61.8 | Low | 56.1 | Low | 78 Ų | 78 | 92.5 Ų | 92.5 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.9 | -26 | 171.3 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | H387 Q388 | H387-C390 WeakPolarHBondContact O-CB 3.45Å; H387-C390 PolarHBondContact O-N 3.35Å; Q388-C390 PolarHBondContact O-N 2.84Å |
| 391 | H | 72.5 | Confident | 54.4 | Low | 56 Ų | 56 | 96.7 Ų | 96.7 | 26% | 0.259 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -79.3 | -27.1 | 174.2 | -61.1 | -61.5 | 0 | 0 | 0 | 112.4 | C371 H387 Q388 R389 Q393 E394 | C371-H391 PolarHBondContact SG-NE2 3.44Å; H387-H391 AromaticContact CD2-NE2 3.99Å; H387-H391 AromaticContact CE1-NE2 3.57Å; H387-H391 AromaticContact NE2-CD2 3.97Å; H387-H391 AromaticContact NE2-NE2 3.13Å; H387-H391 PolarHBondContact NE2-NE2 3.31Å; H387-H391 VanDerWaalsContact NE2-NE2 3.13Å; Q388-H391 WeakPolarHBondContact O-CB 3.41Å; Q388-H391 PolarHBondContact O-N 2.99Å; R389-H391 VanDerWaalsContact C-N 3.25Å; R389-H391 PolarHBondContact O-N 3.12Å; H391-Q393 PolarHBondContact O-N 3.37Å; H391-E394 PolarHBondContact O-N 3.11Å |
| 392 | L | 51.5 | Low | 51.9 | Low | 148 Ų | 148 | 95.5 Ų | 95.5 | 78% | 0.775 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72 | -18.1 | 177 | -91.4 | 86.8 | 0 | 0 | 0 | 113.4 | Q388 R389 E394 | Q388-L392 WeakPolarHBondContact O-CD1 3.4Å; Q388-L392 PolarHBondContact O-N 3.14Å; R389-L392 PolarHBondContact O-N 3.33Å; L392-E394 VanDerWaalsContact C-N 3.26Å |
| 393 | Q | 44.5 | Very low | 49.6 | Very low | 169 Ų | 169 | 99.4 Ų | 99.4 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -14.6 | 176.7 | -154.8 | 164.6 | 10 | 0 | 0 | 112.2 | H391 | H391-Q393 PolarHBondContact O-N 3.37Š|
| 394 | E | 39.6 | Very low | 47.2 | Very low | 143 Ų | 143 | 104 Ų | 104 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -98.6 | 100.2 | 173 | -57.9 | -66.1 | 143.7 | 0 | 0 | 107.5 | H391 L392 | H391-E394 PolarHBondContact O-N 3.11Å; L392-E394 VanDerWaalsContact C-N 3.26Å |
| 395 | G | 31.4 | Very low | 44.8 | Very low | 51 Ų | 51 | 114.5 Ų | 114.5 | 53% | 0.526 | 62% | 0.619 | S | S | . | * | trans | -56 | 161.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S397 | G395-S397 PolarHBondContact O-N 3.45Š| ||
| 396 | P | 37 | Very low | 42.5 | Very low | 134 Ų | 134 | 119.8 Ų | 119.8 | 87% | 0.87 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -65.4 | 13.4 | -166.5 | -18.6 | 31.4 | 0 | 0 | 0 | 117.1 | A398 | P396-A398 PolarHBondContact O-N 2.95Š|
| 397 | S | 34 | Very low | 40.8 | Very low | 123 Ų | 123 | 120.9 Ų | 120.9 | 86% | 0.86 | 65% | 0.649 | S | S | * | * | trans | -82.8 | 50.3 | -177.2 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | G395 | G395-S397 PolarHBondContact O-N 3.45Š| ||
| 398 | A | 29.5 | Very low | 38.3 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | -153 | 60 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P396 Q400 | P396-A398 PolarHBondContact O-N 2.95Å; A398-Q400 PolarHBondContact O-N 2.98Å | ||
| 399 | G | 27.9 | Very low | 36.2 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -58.5 | 122.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 400 | Q | 26.8 | Very low | 34.5 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 91% | 0.907 | 71% | 0.708 | S | S | * | * | trans | 55.1 | 69 | 152.5 | -57.3 | 176.3 | -12.2 | 0 | 0 | 115.8 | A398 | A398-Q400 PolarHBondContact O-N 2.98Š| ||
| 401 | H | 29.5 | Very low | 33 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.676 | 73% | 0.727 | S | S | * | * | trans | -106.3 | 112.3 | 148 | -161.4 | -102.7 | 0 | 0 | 0 | 109.5 | ||||
| 402 | V | 26.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | -41.1 | 144.2 | 171.9 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | E404 | V402-E404 PolarHBondContact O-N 2.72Š| ||
| 403 | Q | 24.4 | Very low | 29.5 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -42.4 | 72.6 | 170.3 | -171.5 | 174.5 | -34.2 | 0 | 0 | 113.2 | ||||
| 404 | E | 24.5 | Very low | 28.6 | Very low | 126 Ų | 126 | 130 Ų | 130 | 59% | 0.589 | 74% | 0.743 | S | S | * | * | trans | -84.1 | 119.8 | 165.1 | -70.5 | -137.7 | 148.2 | 0 | 0 | 107.9 | V402 F406 | V402-E404 PolarHBondContact O-N 2.72Å; E404-F406 HydrophobicContact CB-CD2 4.26Å; E404-F406 HydrophobicContact CB-CE2 3.9Å; E404-F406 WeakPolarHBondContact O-CD2 3.4Å; E404-F406 PolarHBondContact O-N 3Å | ||
| 405 | R | 25.4 | Very low | 28.1 | Very low | 239 Ų | 239 | 129.6 Ų | 129.6 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 80 | 178.6 | -65.5 | 175.5 | 174.6 | 142.6 | -3.1 | 108.9 | S407 | R405-S407 PolarHBondContact O-N 2.76Š| ||
| 406 | F | 24.6 | Very low | 27.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -72.5 | 100.4 | 169.3 | -78.3 | -76.2 | 0 | 0 | 0 | 108.7 | E404 | E404-F406 HydrophobicContact CB-CD2 4.26Å; E404-F406 HydrophobicContact CB-CE2 3.9Å; E404-F406 WeakPolarHBondContact O-CD2 3.4Å; E404-F406 PolarHBondContact O-N 3Å | ||
| 407 | S | 29.5 | Very low | 27.6 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -61.9 | 131.2 | 165.2 | -167 | 0 | 0 | 0 | 0 | 108.3 | R405 N409 | R405-S407 PolarHBondContact O-N 2.76Å; S407-N409 PolarHBondContact O-N 2.95Å | ||
| 408 | P | 27.1 | Very low | 27.5 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 6.2 | -161.7 | -15.4 | 30.3 | 0 | 0 | 0 | 115.9 | ||
| 409 | N | 27.3 | Very low | 27.6 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 8.6 | -169 | -74 | 14 | 0 | 0 | 0 | 114.5 | S407 L411 | S407-N409 PolarHBondContact O-N 2.95Å; N409-L411 PolarHBondContact O-N 3.46Å |
| 410 | S | 30.5 | Very low | 27.7 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | trans | -83.2 | 93.4 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | V412 | S410-V412 PolarHBondContact O-N 3.29Š| ||
| 411 | L | 29.7 | Very low | 28.1 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | -73.1 | 52.4 | 178.2 | -72.5 | 168 | 0 | 0 | 0 | 113.2 | N409 A413 | N409-L411 PolarHBondContact O-N 3.46Å; L411-A413 PolarHBondContact O-N 3.45Å | ||
| 412 | V | 26.9 | Very low | 28.5 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -86.6 | 104.3 | 170.5 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | S410 L414 | S410-V412 PolarHBondContact O-N 3.29Å; V412-L414 PolarHBondContact O-N 2.92Å | ||
| 413 | A | 23.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -68.6 | 113.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L411 | L411-A413 PolarHBondContact O-N 3.45Š| ||
| 414 | L | 24.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 67% | 0.665 | 74% | 0.739 | S | S | * | * | trans | -92.3 | 131.6 | 165.4 | -75.8 | 168.4 | 0 | 0 | 0 | 109.7 | V412 G416 | V412-L414 PolarHBondContact O-N 2.92Å; L414-G416 PolarHBondContact O-N 3.18Å | ||
| 415 | P | 28.9 | Very low | 31.6 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 127.6 | 171.6 | -18.8 | 31.4 | 0 | 0 | 0 | 110.5 | ||
| 416 | G | 27.9 | Very low | 33.1 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.1 | -15.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L414 I418 | L414-G416 PolarHBondContact O-N 3.18Å; G416-I418 PolarHBondContact O-N 2.93Å |
| 417 | H | 31.9 | Very low | 35.3 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 66% | 0.657 | 69% | 0.69 | S | S | * | * | trans | -80.4 | 111.2 | 168 | -89.4 | -76.3 | 0 | 0 | 0 | 109.5 | P419 | H417-P419 WeakPolarHBondContact O-CD 3.43Å; H417-P419 WeakPolarHBondContact O-CG 3.48Å | ||
| 418 | I | 29.9 | Very low | 37.5 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 83% | 0.831 | 69% | 0.685 | S | S | * | * | trans | -72.2 | 102 | 159.3 | -60 | 170.3 | 0 | 0 | 0 | 105.5 | G416 W420 | G416-I418 PolarHBondContact O-N 2.93Å; I418-W420 PolarHBondContact O-N 3.26Å | ||
| 419 | P | 32.4 | Very low | 39.2 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | trans | -68.9 | 131.9 | -175.6 | -15.6 | 34.2 | 0 | 0 | 0 | 106.8 | H417 R421 | H417-P419 WeakPolarHBondContact O-CD 3.43Å; H417-P419 WeakPolarHBondContact O-CG 3.48Å; P419-R421 PolarHBondContact O-N 3.43Å | ||
| 420 | W | 29.3 | Very low | 41.3 | Very low | 204 Ų | 204 | 117.1 Ų | 117.1 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | trans | -58.1 | 83.9 | 160 | -122.9 | 77 | 0 | 0 | 0 | 106.5 | I418 K422 L427 | I418-W420 PolarHBondContact O-N 3.26Å; W420-K422 PolarHBondContact O-N 3.27Å; W420-L427 HydrophobicContact CH2-CD2 4.31Å; W420-L427 HydrophobicContact CZ3-CD2 4.02Å | ||
| 421 | R | 35.3 | Very low | 42.9 | Very low | 196 Ų | 196 | 120.5 Ų | 120.5 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | trans | -62.3 | 110.7 | -178.2 | -111 | -179.6 | 158 | -111.7 | -2.4 | 104.2 | P419 S423 | P419-R421 PolarHBondContact O-N 3.43Å; R421-S423 PolarHBondContact O-N 2.67Å | ||
| 422 | K | 39.4 | Very low | 44.5 | Very low | 201 Ų | 201 | 114.9 Ų | 114.9 | 87% | 0.874 | 62% | 0.624 | S | S | * | * | trans | -62 | 38.2 | 154.8 | -80.8 | 178.1 | 174.9 | 170.7 | 0 | 110.4 | W420 R424 | W420-K422 PolarHBondContact O-N 3.27Å; K422-R424 VanDerWaalsContact C-N 3.35Å; K422-R424 PolarHBondContact O-N 2.83Å | ||
| 423 | S | 41.8 | Very low | 46.4 | Very low | 53 Ų | 53 | 111.8 Ų | 111.8 | 37% | 0.371 | 62% | 0.616 | S | S | . | * | trans | -52.7 | 107.7 | 159.1 | 169.7 | 0 | 0 | 0 | 0 | 104.8 | R421 S425 S426 | R421-S423 PolarHBondContact O-N 2.67Å; S423-S425 PolarHBondContact O-N 3.48Å; S423-S426 PolarHBondContact O-N 3.03Å | ||
| 424 | R | 47.4 | Very low | 48.7 | Very low | 237 Ų | 237 | 113.4 Ų | 113.4 | 89% | 0.894 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 12.9 | -157.5 | -150.9 | 166.7 | 172.4 | 172.9 | -3.9 | 113.6 | K422 | K422-R424 VanDerWaalsContact C-N 3.35Å; K422-R424 PolarHBondContact O-N 2.83Å |
| 425 | S | 50.5 | Low | 51 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 69% | 0.692 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.7 | -1.8 | -177.5 | -59.9 | 0 | 0 | 0 | 0 | 116.1 | S423 | S423-S425 PolarHBondContact O-N 3.48Š|
| 426 | S | 57 | Low | 52.9 | Low | 44 Ų | 44 | 106.7 Ų | 106.7 | 31% | 0.308 | 57% | 0.567 | S | S | . | * | trans | -137.8 | 115.1 | -177.2 | -162.5 | 0 | 0 | 0 | 0 | 112.2 | S423 S435 | S423-S426 PolarHBondContact O-N 3.03Å; S426-S435 VanDerWaalsContact OG-CB 3.32Å; S426-S435 WeakPolarHBondContact OG-CB 3.4Å | ||
| 427 | L | 70 | Confident | 55.1 | Low | 33 Ų | 33 | 106.8 Ų | 106.8 | 17% | 0.173 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.8 | 179.2 | -62.7 | 169.2 | 0 | 0 | 0 | 108.6 | W420 S435 F436 P439 L442 | W420-L427 HydrophobicContact CH2-CD2 4.31Å; W420-L427 HydrophobicContact CZ3-CD2 4.02Å; L427-S435 CarbonylContact O-C 3.57Å; L427-S435 WeakPolarHBondContact O-CA 3.44Å; L427-F436 PolarHBondContact N-O 3.22Å; L427-F436 PolarHBondContact O-N 2.85Å; L427-P439 HydrophobicContact CD1-CB 3.72Å; L427-P439 HydrophobicContact CD1-CG 3.52Å; L427-P439 VanDerWaalsContact CD1-N 3.26Å; L427-L442 HydrophobicContact CB-CB 4.34Å; L427-L442 HydrophobicContact CB-CD2 3.76Å |
| 428 | I | 75.2 | Confident | 56.9 | Low | 103 Ų | 103 | 105.2 Ų | 105.2 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.1 | -171.1 | -58.5 | 173.4 | 0 | 0 | 0 | 110.2 | G433 K434 | I428-G433 WeakPolarHBondContact CG2-O 3.45Å; I428-K434 CarbonylContact C-O 3.42Å; I428-K434 WeakPolarHBondContact CA-O 3.3Å |
| 429 | C | 64.5 | Low | 58.6 | Low | 1 Ų | 1 | 101.5 Ų | 101.5 | 1% | 0.007 | 53% | 0.534 | C | S | . | . | trans | -74.9 | 123.1 | 171.1 | -176 | 0 | 0 | 0 | 0 | 111 | Y431 G433 K434 F436 L442 H445 H449 | C429-Y431 PolarHBondContact O-N 3.23Å; C429-Y431 PolarHBondContact SG-N 3.33Å; C429-G433 VanDerWaalsContact O-CA 3.28Å; C429-G433 WeakPolarHBondContact O-CA 3.4Å; C429-G433 PolarHBondContact O-N 3.07Å; C429-K434 PolarHBondContact N-O 3.42Å; C429-F436 HydrophobicContact CB-CE2 4.14Å; C429-L442 HydrophobicContact CB-CD1 3.78Å; C429-H445 PolarHBondContact SG-CD2 2.88Å; C429-H445 PolarHBondContact SG-NE2 3.08Å; C429-H445 VanDerWaalsContact SG-NE2 3.4Å; C429-H449 VanDerWaalsContact SG-CD2 3.56Å; C429-H449 PolarHBondContact SG-NE2 2.97Å | ||
| 430 | G | 71.3 | Confident | 60.5 | Low | 78 Ų | 78 | 100.6 Ų | 100.6 | 80% | 0.804 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -19.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 431 | Y | 63.6 | Low | 62.7 | Low | 157 Ų | 157 | 92.9 Ų | 92.9 | 62% | 0.616 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -36.4 | -179.8 | -65.3 | -78.8 | 0 | 0 | 0 | 113.6 | C429 H449 | C429-Y431 PolarHBondContact O-N 3.23Å; C429-Y431 PolarHBondContact SG-N 3.33Å; Y431-H449 HydrophobicContact CD1-CB 4.22Å; Y431-H449 HydrophobicContact CD2-CB 3.64Å; Y431-H449 AromaticContact CD2-CD2 3.69Å; Y431-H449 AromaticContact CD2-CG 3.75Å; Y431-H449 HydrophobicContact CE2-CB 4.04Å; Y431-H449 HydrophobicContact CG-CB 3.75Å; Y431-H449 AromaticContact CG-CD2 3.89Å; Y431-H449 AromaticContact CG-CG 3.68Å |
| 432 | C | 63.6 | Low | 64.6 | Low | 55 Ų | 55 | 83.9 Ų | 83.9 | 37% | 0.372 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 4.1 | -172.7 | 68.9 | 0 | 0 | 0 | 0 | 114.6 | K434 H445 H449 | C432-K434 PolarHBondContact O-N 2.95Å; C432-K434 VanDerWaalsContact O-N 3.08Å; C432-H445 PolarHBondContact SG-NE2 3.23Å; C432-H449 PolarHBondContact SG-NE2 3.49Å |
| 433 | G | 67.2 | Low | 66.3 | Low | 52 Ų | 52 | 77.7 Ų | 77.7 | 54% | 0.536 | 45% | 0.45 | S | S | . | . | trans | 69.8 | 3.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I428 C429 S435 | I428-G433 WeakPolarHBondContact CG2-O 3.45Å; C429-G433 VanDerWaalsContact O-CA 3.28Å; C429-G433 WeakPolarHBondContact O-CA 3.4Å; C429-G433 PolarHBondContact O-N 3.07Å; G433-S435 PolarHBondContact O-N 3.26Å | ||
| 434 | K | 71.5 | Confident | 67.9 | Low | 130 Ų | 130 | 80.1 Ų | 80.1 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | trans | -65.6 | 131.7 | 178.5 | -73.7 | -177.1 | -179.2 | -174.4 | 0 | 111.3 | I428 C429 C432 F436 | I428-K434 CarbonylContact C-O 3.42Å; I428-K434 WeakPolarHBondContact CA-O 3.3Å; C429-K434 PolarHBondContact N-O 3.42Å; C432-K434 PolarHBondContact O-N 2.95Å; C432-K434 VanDerWaalsContact O-N 3.08Å; K434-F436 HydrophobicContact CB-CE2 3.73Å; K434-F436 HydrophobicContact CB-CZ 3.88Å; K434-F436 WeakPolarHBondContact O-CD2 3.45Å; K434-F436 WeakPolarHBondContact O-CE2 3.34Å | ||
| 435 | S | 72.4 | Confident | 69.5 | Low | 78 Ų | 78 | 69.8 Ų | 69.8 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 142.3 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | S426 L427 G433 | S426-S435 VanDerWaalsContact OG-CB 3.32Å; S426-S435 WeakPolarHBondContact OG-CB 3.4Å; L427-S435 CarbonylContact O-C 3.57Å; L427-S435 WeakPolarHBondContact O-CA 3.44Å; G433-S435 PolarHBondContact O-N 3.26Å |
| 436 | F | 69.4 | Low | 70.6 | Confident | 40 Ų | 40 | 68.1 Ų | 68.1 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.5 | 178.7 | -60.4 | -88 | 0 | 0 | 0 | 110.1 | L427 C429 K434 D441 L442 H445 | L427-F436 PolarHBondContact N-O 3.22Å; L427-F436 PolarHBondContact O-N 2.85Å; C429-F436 HydrophobicContact CB-CE2 4.14Å; K434-F436 HydrophobicContact CB-CE2 3.73Å; K434-F436 HydrophobicContact CB-CZ 3.88Å; K434-F436 WeakPolarHBondContact O-CD2 3.45Å; K434-F436 WeakPolarHBondContact O-CE2 3.34Å; F436-D441 HydrophobicContact CB-CB 4.35Å; F436-D441 HydrophobicContact CD1-CB 3.9Å; F436-D441 HydrophobicContact CG-CB 4.46Å; F436-L442 HydrophobicContact CB-CB 4.04Å; F436-L442 HydrophobicContact CD2-CB 3.91Å; F436-L442 HydrophobicContact CD2-CD1 3.62Å; F436-L442 HydrophobicContact CD2-CG 4.35Å; F436-L442 HydrophobicContact CE2-CD1 3.9Å; F436-L442 HydrophobicContact CG-CB 4.05Å; F436-H445 HydrophobicContact CE1-CB 3.69Å; F436-H445 AromaticContact CE1-CG 3.91Å; F436-H445 HydrophobicContact CE2-CB 3.92Å; F436-H445 AromaticContact CE2-CD2 3.41Å; F436-H445 VanDerWaalsContact CE2-CD2 3.41Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.41Å; F436-H445 AromaticContact CE2-CG 3.63Å; F436-H445 HydrophobicContact CZ-CB 3.36Å; F436-H445 AromaticContact CZ-CD2 3.38Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.42Å; F436-H445 AromaticContact CZ-CG 3.1Å; F436-H445 AromaticContact CZ-ND1 3.59Å; F436-H445 AromaticContact CZ-NE2 3.97Å |
| 437 | S | 74.4 | Confident | 71.6 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -78.4 | -23.7 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 438 | H | 69.2 | Low | 71.5 | Confident | 108 Ų | 108 | 72.2 Ų | 72.2 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -125.2 | 140.1 | -178 | -74.3 | 7.2 | 0 | 0 | 0 | 112.5 | S440 D441 L442 | H438-S440 VanDerWaalsContact C-N 3.26Å; H438-S440 PolarHBondContact O-N 3.32Å; H438-D441 PolarHBondContact O-N 3.03Å; H438-D441 VanDerWaalsContact O-N 3.08Å; H438-L442 PolarHBondContact O-N 2.83Å |
| 439 | P | 65.6 | Low | 71.2 | Confident | 85 Ų | 85 | 70.8 Ų | 70.8 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.4 | -37.1 | 178.1 | -17.4 | 23.7 | 0 | 0 | 0 | 113.3 | L427 D441 L442 V443 | L427-P439 HydrophobicContact CD1-CB 3.72Å; L427-P439 HydrophobicContact CD1-CG 3.52Å; L427-P439 VanDerWaalsContact CD1-N 3.26Å; P439-D441 PolarHBondContact O-N 3.42Å; P439-L442 PolarHBondContact O-N 3.05Å; P439-V443 VanDerWaalsContact O-CG2 3.31Å; P439-V443 WeakPolarHBondContact O-CG2 3.35Å; P439-V443 PolarHBondContact O-N 3.31Å |
| 440 | S | 72.8 | Confident | 71.5 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 177.1 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | H438 R444 | H438-S440 VanDerWaalsContact C-N 3.26Å; H438-S440 PolarHBondContact O-N 3.32Å; S440-R444 VanDerWaalsContact O-CB 3.32Å; S440-R444 WeakPolarHBondContact O-CB 3.45Å; S440-R444 PolarHBondContact O-N 2.93Å |
| 441 | D | 75.8 | Confident | 71.3 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -75.5 | -40.5 | -179.5 | -63.5 | -30.1 | 0 | 0 | 0 | 111.3 | F436 H438 P439 R444 H445 | F436-D441 HydrophobicContact CB-CB 4.35Å; F436-D441 HydrophobicContact CD1-CB 3.9Å; F436-D441 HydrophobicContact CG-CB 4.46Å; H438-D441 PolarHBondContact O-N 3.03Å; H438-D441 VanDerWaalsContact O-N 3.08Å; P439-D441 PolarHBondContact O-N 3.42Å; D441-R444 PolarHBondContact O-N 3.39Å; D441-R444 IonicContact OD1-CZ 3.92Å; D441-R444 IonicContact OD1-NH2 3.83Å; D441-R444 PolarHBondContact OD1-NH2 3.15Å; D441-H445 VanDerWaalsContact O-CB 3.27Å; D441-H445 WeakPolarHBondContact O-CB 3.4Å; D441-H445 PolarHBondContact O-N 3.4Å |
| 442 | L | 75 | Confident | 71.7 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 172 | 173.4 | 60.5 | 0 | 0 | 0 | 111 | L427 C429 F436 H438 P439 R444 H445 Q446 | L427-L442 HydrophobicContact CB-CB 4.34Å; L427-L442 HydrophobicContact CB-CD2 3.76Å; C429-L442 HydrophobicContact CB-CD1 3.78Å; F436-L442 HydrophobicContact CB-CB 4.04Å; F436-L442 HydrophobicContact CD2-CB 3.91Å; F436-L442 HydrophobicContact CD2-CD1 3.62Å; F436-L442 HydrophobicContact CD2-CG 4.35Å; F436-L442 HydrophobicContact CE2-CD1 3.9Å; F436-L442 HydrophobicContact CG-CB 4.05Å; H438-L442 PolarHBondContact O-N 2.83Å; P439-L442 PolarHBondContact O-N 3.05Å; L442-R444 VanDerWaalsContact C-N 3.34Å; L442-R444 PolarHBondContact O-N 2.74Å; L442-H445 WeakPolarHBondContact O-CB 3.45Å; L442-H445 PolarHBondContact O-N 3.45Å; L442-H445 VanDerWaalsContact O-N 3.13Å; L442-Q446 HydrophobicContact CD1-CG 4.11Å; L442-Q446 HydrophobicContact CG-CG 4.47Å; L442-Q446 WeakPolarHBondContact O-CG 3.5Å; L442-Q446 PolarHBondContact O-N 3.26Å |
| 443 | V | 73.7 | Confident | 72.5 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 44% | 0.436 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 179 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | P439 H445 Q446 | P439-V443 VanDerWaalsContact O-CG2 3.31Å; P439-V443 WeakPolarHBondContact O-CG2 3.35Å; P439-V443 PolarHBondContact O-N 3.31Å; V443-H445 VanDerWaalsContact C-N 3.29Å; V443-H445 PolarHBondContact O-N 3.47Å; V443-Q446 PolarHBondContact O-N 3.14Å |
| 444 | R | 75.5 | Confident | 73.1 | Confident | 104 Ų | 104 | 74.8 Ų | 74.8 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 175 | -179.7 | 176 | 63.6 | -164.2 | -11.3 | 111.6 | S440 D441 L442 Q466 | S440-R444 VanDerWaalsContact O-CB 3.32Å; S440-R444 WeakPolarHBondContact O-CB 3.45Å; S440-R444 PolarHBondContact O-N 2.93Å; D441-R444 PolarHBondContact O-N 3.39Å; D441-R444 IonicContact OD1-CZ 3.92Å; D441-R444 IonicContact OD1-NH2 3.83Å; D441-R444 PolarHBondContact OD1-NH2 3.15Å; L442-R444 VanDerWaalsContact C-N 3.34Å; L442-R444 PolarHBondContact O-N 2.74Å; R444-Q466 HydrophobicContact CG-CG 4.22Å |
| 445 | H | 81.2 | Confident | 73.6 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 9% | 0.088 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.9 | 169.7 | 71.7 | 0 | 0 | 0 | 112.5 | C429 C432 F436 D441 L442 V443 R447 I448 H449 | C429-H445 PolarHBondContact SG-CD2 2.88Å; C429-H445 PolarHBondContact SG-NE2 3.08Å; C429-H445 VanDerWaalsContact SG-NE2 3.4Å; C432-H445 PolarHBondContact SG-NE2 3.23Å; F436-H445 HydrophobicContact CE1-CB 3.69Å; F436-H445 AromaticContact CE1-CG 3.91Å; F436-H445 HydrophobicContact CE2-CB 3.92Å; F436-H445 AromaticContact CE2-CD2 3.41Å; F436-H445 VanDerWaalsContact CE2-CD2 3.41Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.41Å; F436-H445 AromaticContact CE2-CG 3.63Å; F436-H445 HydrophobicContact CZ-CB 3.36Å; F436-H445 AromaticContact CZ-CD2 3.38Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.42Å; F436-H445 AromaticContact CZ-CG 3.1Å; F436-H445 AromaticContact CZ-ND1 3.59Å; F436-H445 AromaticContact CZ-NE2 3.97Å; D441-H445 VanDerWaalsContact O-CB 3.27Å; D441-H445 WeakPolarHBondContact O-CB 3.4Å; D441-H445 PolarHBondContact O-N 3.4Å; L442-H445 WeakPolarHBondContact O-CB 3.45Å; L442-H445 PolarHBondContact O-N 3.45Å; L442-H445 VanDerWaalsContact O-N 3.13Å; V443-H445 VanDerWaalsContact C-N 3.29Å; V443-H445 PolarHBondContact O-N 3.47Å; H445-R447 PolarHBondContact O-N 3.02Å; H445-R447 VanDerWaalsContact O-N 3.12Å; H445-I448 VanDerWaalsContact O-CB 3.28Å; H445-I448 WeakPolarHBondContact O-CB 3.39Å; H445-I448 WeakPolarHBondContact O-CG1 3.39Å; H445-I448 PolarHBondContact O-N 2.98Å; H445-H449 AromaticContact CD2-NE2 3.97Å; H445-H449 AromaticContact CE1-NE2 3.53Å; H445-H449 AromaticContact NE2-CD2 3.74Å; H445-H449 AromaticContact NE2-NE2 3.06Å; H445-H449 PolarHBondContact NE2-NE2 3.43Å |
| 446 | Q | 73.8 | Confident | 74.2 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.9 | -28.2 | 179.1 | -78.1 | 176.5 | -19.7 | 0 | 0 | 112.9 | L442 V443 I448 H449 T450 | L442-Q446 HydrophobicContact CD1-CG 4.11Å; L442-Q446 HydrophobicContact CG-CG 4.47Å; L442-Q446 WeakPolarHBondContact O-CG 3.5Å; L442-Q446 PolarHBondContact O-N 3.26Å; V443-Q446 PolarHBondContact O-N 3.14Å; Q446-I448 PolarHBondContact O-N 2.88Å; Q446-H449 PolarHBondContact O-N 2.98Å; Q446-T450 PolarHBondContact O-N 3.36Å |
| 447 | R | 77.9 | Confident | 74.8 | Confident | 52 Ų | 52 | 69.9 Ų | 69.9 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -20.6 | 175 | -61.7 | 179.2 | -173.6 | 177.5 | -0.5 | 114.2 | H445 H449 T450 G451 V465 | H445-R447 PolarHBondContact O-N 3.02Å; H445-R447 VanDerWaalsContact O-N 3.12Å; R447-H449 VanDerWaalsContact C-N 3.3Å; R447-T450 WeakPolarHBondContact CA-OG1 3.41Å; R447-G451 PolarHBondContact O-N 3.24Å; R447-G451 VanDerWaalsContact O-N 3.09Å; R447-V465 HydrophobicContact CB-CG1 3.54Å; R447-V465 HydrophobicContact CG-CG1 4.49Å |
| 448 | I | 68.6 | Low | 75.1 | Confident | 112 Ų | 112 | 71.7 Ų | 71.7 | 57% | 0.574 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.6 | -33.8 | 173.9 | -58.3 | 171.3 | 0 | 0 | 0 | 110.2 | H445 Q446 | H445-I448 VanDerWaalsContact O-CB 3.28Å; H445-I448 WeakPolarHBondContact O-CB 3.39Å; H445-I448 WeakPolarHBondContact O-CG1 3.39Å; H445-I448 PolarHBondContact O-N 2.98Å; Q446-I448 PolarHBondContact O-N 2.88Å |
| 449 | H | 69.2 | Low | 75.6 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -83.3 | -37.7 | 178.1 | -58.9 | -65.3 | 0 | 0 | 0 | 112.1 | C429 Y431 C432 H445 Q446 R447 G451 | C429-H449 VanDerWaalsContact SG-CD2 3.56Å; C429-H449 PolarHBondContact SG-NE2 2.97Å; Y431-H449 HydrophobicContact CD1-CB 4.22Å; Y431-H449 HydrophobicContact CD2-CB 3.64Å; Y431-H449 AromaticContact CD2-CD2 3.69Å; Y431-H449 AromaticContact CD2-CG 3.75Å; Y431-H449 HydrophobicContact CE2-CB 4.04Å; Y431-H449 HydrophobicContact CG-CB 3.75Å; Y431-H449 AromaticContact CG-CD2 3.89Å; Y431-H449 AromaticContact CG-CG 3.68Å; C432-H449 PolarHBondContact SG-NE2 3.49Å; H445-H449 AromaticContact CD2-NE2 3.97Å; H445-H449 AromaticContact CE1-NE2 3.53Å; H445-H449 AromaticContact NE2-CD2 3.74Å; H445-H449 AromaticContact NE2-NE2 3.06Å; H445-H449 PolarHBondContact NE2-NE2 3.43Å; Q446-H449 PolarHBondContact O-N 2.98Å; R447-H449 VanDerWaalsContact C-N 3.3Å; H449-G451 VanDerWaalsContact C-N 3.35Å |
| 450 | T | 70.8 | Confident | 76.4 | Confident | 65 Ų | 65 | 69 Ų | 69 | 40% | 0.399 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -81.6 | -13.6 | -178.6 | 65 | 0 | 0 | 0 | 0 | 114 | Q446 R447 E452 | Q446-T450 PolarHBondContact O-N 3.36Å; R447-T450 WeakPolarHBondContact CA-OG1 3.41Å; T450-E452 PolarHBondContact O-N 2.66Å; T450-E452 PolarHBondContact OG1-N 3.17Å |
| 451 | G | 67.1 | Low | 76.8 | Confident | 51 Ų | 51 | 73.3 Ų | 73.3 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | trans | 71.1 | 5.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R447 H449 R453 | R447-G451 PolarHBondContact O-N 3.24Å; R447-G451 VanDerWaalsContact O-N 3.09Å; H449-G451 VanDerWaalsContact C-N 3.35Å; G451-R453 PolarHBondContact O-N 3.19Å | ||
| 452 | E | 71.2 | Confident | 77 | Confident | 77 Ų | 77 | 77.5 Ų | 77.5 | 36% | 0.36 | 40% | 0.396 | S | S | . | . | trans | -63.8 | 120.1 | 178.8 | -74.5 | -175.1 | -177.6 | 0 | 0 | 111.1 | R389 T450 P454 | R389-E452 IonicContact CZ-OE1 3.73Å; R389-E452 IonicContact NH1-OE1 3.01Å; R389-E452 PolarHBondContact NH1-OE1 3.29Å; R389-E452 IonicContact NH2-OE1 3.45Å; R389-E452 PolarHBondContact NH2-OE1 2.95Å; T450-E452 PolarHBondContact O-N 2.66Å; T450-E452 PolarHBondContact OG1-N 3.17Å; E452-P454 VanDerWaalsContact O-CD 3.31Å; E452-P454 WeakPolarHBondContact O-CD 3.49Å | ||
| 453 | R | 81.2 | Confident | 77.2 | Confident | 161 Ų | 161 | 79.3 Ų | 79.3 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | trans | -119.5 | 76.9 | 179.3 | -72.1 | 172.2 | 159.2 | -176.7 | -1.8 | 111.2 | G451 Y455 S463 F464 V465 | G451-R453 PolarHBondContact O-N 3.19Å; R453-Y455 VanDerWaalsContact C-N 3.25Å; R453-Y455 PolarHBondContact O-N 3.18Å; R453-S463 VanDerWaalsContact CD-O 3.29Å; R453-S463 WeakPolarHBondContact CD-O 3.37Å; R453-F464 CarbonylContact C-O 3.55Å; R453-F464 WeakPolarHBondContact CA-O 3.39Å; R453-V465 HydrophobicContact CG-CG2 3.91Å | ||
| 454 | P | 79.8 | Confident | 77.4 | Confident | 73 Ų | 73 | 77.9 Ų | 77.9 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | trans | -74.7 | -7.9 | -170.7 | 27.8 | -34 | 0 | 0 | 0 | 115 | E452 | E452-P454 VanDerWaalsContact O-CD 3.31Å; E452-P454 WeakPolarHBondContact O-CD 3.49Å | ||
| 455 | Y | 82.1 | Confident | 77.6 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 95.8 | -176.5 | -57.2 | -73.4 | 0 | 0 | 0 | 110.4 | R453 S463 F464 V465 K467 | R453-Y455 VanDerWaalsContact C-N 3.25Å; R453-Y455 PolarHBondContact O-N 3.18Å; Y455-S463 CarbonylContact O-C 3.53Å; Y455-S463 WeakPolarHBondContact O-CA 3.45Å; Y455-F464 WeakPolarHBondContact CD2-O 3.47Å; Y455-F464 PolarHBondContact N-O 2.98Å; Y455-F464 WeakPolarHBondContact O-CD2 3.44Å; Y455-F464 PolarHBondContact O-N 3.49Å; Y455-V465 WeakPolarHBondContact CE2-O 3.4Å; Y455-K467 HydrophobicContact CD1-CB 4Å; Y455-K467 HydrophobicContact CD1-CG 4.32Å; Y455-K467 HydrophobicContact CD2-CB 4.44Å; Y455-K467 VanDerWaalsContact CD2-N 3.32Å; Y455-K467 HydrophobicContact CE1-CB 3.78Å; Y455-K467 HydrophobicContact CE1-CG 4.26Å; Y455-K467 HydrophobicContact CE2-CB 4.23Å; Y455-K467 HydrophobicContact CG-CB 4.33Å |
| 456 | S | 84.6 | Confident | 77.5 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 147 | 176.2 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | K462 S463 | S456-K462 CarbonylContact C-O 3.51Å; S456-K462 WeakPolarHBondContact CA-O 3.43Å; S456-S463 WeakPolarHBondContact CB-OG 3.48Å |
| 457 | C | 80.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.007 | 41% | 0.405 | C | S | . | . | trans | -81.3 | 131.6 | 167.5 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | E459 E461 K462 L470 H473 H477 | C457-E459 VanDerWaalsContact C-N 3.27Å; C457-E459 PolarHBondContact O-N 3.03Å; C457-E459 PolarHBondContact SG-N 2.9Å; C457-E459 VanDerWaalsContact SG-N 3.39Å; C457-E461 WeakPolarHBondContact O-CA 3.49Å; C457-E461 PolarHBondContact O-N 3.22Å; C457-K462 PolarHBondContact N-O 2.88Å; C457-L470 HydrophobicContact CB-CD1 3.84Å; C457-H473 PolarHBondContact SG-NE2 3.25Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C457-H477 PolarHBondContact SG-NE2 3.45Å | ||
| 458 | T | 82.5 | Confident | 78.1 | Confident | 121 Ų | 121 | 82.8 Ų | 82.8 | 74% | 0.742 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.3 | 176.7 | 51.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 459 | E | 79.5 | Confident | 78.8 | Confident | 90 Ų | 90 | 81.5 Ų | 81.5 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -31.7 | -175.3 | -59.8 | -172.2 | -146.1 | 0 | 0 | 113.1 | C457 H477 R481 | C457-E459 VanDerWaalsContact C-N 3.27Å; C457-E459 PolarHBondContact O-N 3.03Å; C457-E459 PolarHBondContact SG-N 2.9Å; C457-E459 VanDerWaalsContact SG-N 3.39Å; E459-H477 WeakPolarHBondContact OE2-CB 3.47Å; E459-H477 IonicContact OE2-CD2 3.35Å; E459-H477 IonicContact OE2-CG 3.2Å; E459-H477 IonicContact OE2-ND1 3.38Å; E459-R481 IonicContact OE1-NH2 2.75Å; E459-R481 PolarHBondContact OE1-NH2 3.16Å; E459-R481 IonicContact OE2-CZ 3.47Å; E459-R481 IonicContact OE2-NH2 3.9Å; E459-R481 PolarHBondContact OE2-NH2 3.29Å |
| 460 | C | 82.4 | Confident | 79.4 | Confident | 47 Ų | 47 | 79 Ų | 79 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | 9.8 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | K462 H473 | C460-K462 PolarHBondContact O-N 2.89Å; C460-H473 PolarHBondContact SG-CE1 3.43Å; C460-H473 PolarHBondContact SG-NE2 3.28Å |
| 461 | E | 80.2 | Confident | 80.1 | Confident | 165 Ų | 165 | 80 Ų | 80 | 77% | 0.771 | 41% | 0.41 | S | S | * | . | trans | 59.9 | 1.3 | 177.2 | -56.4 | -174.1 | 166.8 | 0 | 0 | 115.9 | C457 S463 | C457-E461 WeakPolarHBondContact O-CA 3.49Å; C457-E461 PolarHBondContact O-N 3.22Å; E461-S463 PolarHBondContact O-N 3.09Å; E461-S463 PolarHBondContact O-OG 3.36Å | ||
| 462 | K | 80.4 | Confident | 80.8 | Confident | 131 Ų | 131 | 84 Ų | 84 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | trans | -58.8 | 128.3 | 174.6 | -71.8 | -175.9 | -178.6 | -177.3 | 0 | 110.3 | S456 C457 C460 F464 | S456-K462 CarbonylContact C-O 3.51Å; S456-K462 WeakPolarHBondContact CA-O 3.43Å; C457-K462 PolarHBondContact N-O 2.88Å; C460-K462 PolarHBondContact O-N 2.89Å; K462-F464 HydrophobicContact CB-CE2 4.05Å; K462-F464 HydrophobicContact CB-CZ 4.13Å; K462-F464 WeakPolarHBondContact O-CE2 3.5Å | ||
| 463 | S | 79.4 | Confident | 81.4 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.5 | -175.9 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | R453 Y455 S456 E461 | R453-S463 VanDerWaalsContact CD-O 3.29Å; R453-S463 WeakPolarHBondContact CD-O 3.37Å; Y455-S463 CarbonylContact O-C 3.53Å; Y455-S463 WeakPolarHBondContact O-CA 3.45Å; S456-S463 WeakPolarHBondContact CB-OG 3.48Å; E461-S463 PolarHBondContact O-N 3.09Å; E461-S463 PolarHBondContact O-OG 3.36Å |
| 464 | F | 78.2 | Confident | 81.4 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.5 | -172.8 | -59.2 | -88.6 | 0 | 0 | 0 | 111.3 | R453 Y455 K462 Q466 H469 L470 H473 | R453-F464 CarbonylContact C-O 3.55Å; R453-F464 WeakPolarHBondContact CA-O 3.39Å; Y455-F464 WeakPolarHBondContact CD2-O 3.47Å; Y455-F464 PolarHBondContact N-O 2.98Å; Y455-F464 WeakPolarHBondContact O-CD2 3.44Å; Y455-F464 PolarHBondContact O-N 3.49Å; K462-F464 HydrophobicContact CB-CE2 4.05Å; K462-F464 HydrophobicContact CB-CZ 4.13Å; K462-F464 WeakPolarHBondContact O-CE2 3.5Å; F464-Q466 VanDerWaalsContact C-N 3.32Å; F464-H469 HydrophobicContact CB-CB 4.23Å; F464-H469 HydrophobicContact CD1-CB 3.81Å; F464-H469 HydrophobicContact CG-CB 4.25Å; F464-L470 HydrophobicContact CB-CB 4.39Å; F464-L470 HydrophobicContact CD2-CB 3.86Å; F464-L470 HydrophobicContact CD2-CD1 3.88Å; F464-L470 HydrophobicContact CD2-CG 4.49Å; F464-L470 HydrophobicContact CE2-CD1 4.01Å; F464-L470 HydrophobicContact CG-CB 4.3Å; F464-H473 HydrophobicContact CE1-CB 4.04Å; F464-H473 HydrophobicContact CE2-CB 3.88Å; F464-H473 AromaticContact CE2-CD2 3.54Å; F464-H473 AromaticContact CE2-CG 3.67Å; F464-H473 HydrophobicContact CZ-CB 3.42Å; F464-H473 VanDerWaalsContact CZ-CB 3.42Å; F464-H473 AromaticContact CZ-CD2 3.64Å; F464-H473 AromaticContact CZ-CG 3.28Å; F464-H473 AromaticContact CZ-ND1 3.76Å |
| 465 | V | 78.5 | Confident | 81.6 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -71.3 | -30.6 | 176.8 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | R447 R453 Y455 | R447-V465 HydrophobicContact CB-CG1 3.54Å; R447-V465 HydrophobicContact CG-CG1 4.49Å; R453-V465 HydrophobicContact CG-CG2 3.91Å; Y455-V465 WeakPolarHBondContact CE2-O 3.4Å |
| 466 | Q | 80.5 | Confident | 81.4 | Confident | 46 Ų | 46 | 80.7 Ų | 80.7 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -126.7 | 142.3 | -175.9 | -56.3 | -170.7 | 22.5 | 0 | 0 | 112 | R444 F464 Q468 H469 L470 | R444-Q466 HydrophobicContact CG-CG 4.22Å; F464-Q466 VanDerWaalsContact C-N 3.32Å; Q466-Q468 VanDerWaalsContact C-N 3.29Å; Q466-Q468 PolarHBondContact O-N 3.09Å; Q466-H469 PolarHBondContact O-N 3.02Å; Q466-L470 PolarHBondContact O-N 3.43Å |
| 467 | K | 82 | Confident | 81.1 | Confident | 125 Ų | 125 | 78.4 Ų | 78.4 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 178.3 | -171.9 | 178.8 | 179.4 | -179.2 | 0 | 112.9 | Y455 H469 L470 L471 | Y455-K467 HydrophobicContact CD1-CB 4Å; Y455-K467 HydrophobicContact CD1-CG 4.32Å; Y455-K467 HydrophobicContact CD2-CB 4.44Å; Y455-K467 VanDerWaalsContact CD2-N 3.32Å; Y455-K467 HydrophobicContact CE1-CB 3.78Å; Y455-K467 HydrophobicContact CE1-CG 4.26Å; Y455-K467 HydrophobicContact CE2-CB 4.23Å; Y455-K467 HydrophobicContact CG-CB 4.33Å; K467-H469 VanDerWaalsContact C-N 3.3Å; K467-H469 PolarHBondContact O-N 3.1Å; K467-L470 WeakPolarHBondContact O-CB 3.4Å; K467-L470 PolarHBondContact O-N 3.33Å; K467-L471 HydrophobicContact CG-CD1 4.43Å; K467-L471 WeakPolarHBondContact O-CG 3.47Å; K467-L471 PolarHBondContact O-N 3.49Å |
| 468 | Q | 82 | Confident | 80.4 | Confident | 142 Ų | 142 | 85 Ų | 85 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.8 | -36.9 | -179.5 | -66.7 | -175 | -24.5 | 0 | 0 | 111.9 | Q466 L471 Q472 | Q466-Q468 VanDerWaalsContact C-N 3.29Å; Q466-Q468 PolarHBondContact O-N 3.09Å; Q468-L471 PolarHBondContact O-N 3.19Å; Q468-Q472 PolarHBondContact O-N 2.99Å |
| 469 | H | 82.8 | Confident | 79.2 | Confident | 86 Ų | 86 | 89.5 Ų | 89.5 | 40% | 0.398 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 175.6 | -57.5 | 164.2 | 0 | 0 | 0 | 111.7 | F464 Q466 K467 Q472 H473 | F464-H469 HydrophobicContact CB-CB 4.23Å; F464-H469 HydrophobicContact CD1-CB 3.81Å; F464-H469 HydrophobicContact CG-CB 4.25Å; Q466-H469 PolarHBondContact O-N 3.02Å; K467-H469 VanDerWaalsContact C-N 3.3Å; K467-H469 PolarHBondContact O-N 3.1Å; H469-Q472 PolarHBondContact O-N 3.26Å; H469-H473 VanDerWaalsContact O-CB 3.27Å; H469-H473 WeakPolarHBondContact O-CB 3.38Å; H469-H473 PolarHBondContact O-N 3.43Å |
| 470 | L | 82.3 | Confident | 78 | Confident | 20 Ų | 20 | 92 Ų | 92 | 11% | 0.105 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 171.7 | 171.5 | 63.9 | 0 | 0 | 0 | 111.4 | C457 F464 Q466 K467 Q472 H473 Q474 | C457-L470 HydrophobicContact CB-CD1 3.84Å; F464-L470 HydrophobicContact CB-CB 4.39Å; F464-L470 HydrophobicContact CD2-CB 3.86Å; F464-L470 HydrophobicContact CD2-CD1 3.88Å; F464-L470 HydrophobicContact CD2-CG 4.49Å; F464-L470 HydrophobicContact CE2-CD1 4.01Å; F464-L470 HydrophobicContact CG-CB 4.3Å; Q466-L470 PolarHBondContact O-N 3.43Å; K467-L470 WeakPolarHBondContact O-CB 3.4Å; K467-L470 PolarHBondContact O-N 3.33Å; L470-Q472 VanDerWaalsContact C-N 3.33Å; L470-Q472 PolarHBondContact O-N 3.19Å; L470-H473 WeakPolarHBondContact O-CB 3.47Å; L470-H473 PolarHBondContact O-N 3.04Å; L470-Q474 HydrophobicContact CD1-CG 4.21Å; L470-Q474 WeakPolarHBondContact O-CG 3.48Å; L470-Q474 PolarHBondContact O-N 3.06Å |
| 471 | L | 84.6 | Confident | 76.6 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 45% | 0.445 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 179.5 | -70.6 | 174.6 | 0 | 0 | 0 | 112.3 | K467 Q468 Q474 | K467-L471 HydrophobicContact CG-CD1 4.43Å; K467-L471 WeakPolarHBondContact O-CG 3.47Å; K467-L471 PolarHBondContact O-N 3.49Å; Q468-L471 PolarHBondContact O-N 3.19Å; L471-Q474 PolarHBondContact O-N 2.96Å |
| 472 | Q | 81 | Confident | 75 | Confident | 135 Ų | 135 | 92.5 Ų | 92.5 | 63% | 0.631 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 174.5 | -176.3 | 177.1 | 10.4 | 0 | 0 | 111.3 | Q468 H469 L470 K475 | Q468-Q472 PolarHBondContact O-N 2.99Å; H469-Q472 PolarHBondContact O-N 3.26Å; L470-Q472 VanDerWaalsContact C-N 3.33Å; L470-Q472 PolarHBondContact O-N 3.19Å; Q472-K475 WeakPolarHBondContact O-CB 3.38Å; Q472-K475 PolarHBondContact O-N 3.48Å |
| 473 | H | 84.6 | Confident | 73.4 | Confident | 23 Ų | 23 | 89 Ų | 89 | 11% | 0.106 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.4 | 167.6 | 72.6 | 0 | 0 | 0 | 112.3 | C457 C460 F464 H469 L470 K475 I476 H477 | C457-H473 PolarHBondContact SG-NE2 3.25Å; C457-H473 VanDerWaalsContact SG-NE2 3.38Å; C460-H473 PolarHBondContact SG-CE1 3.43Å; C460-H473 PolarHBondContact SG-NE2 3.28Å; F464-H473 HydrophobicContact CE1-CB 4.04Å; F464-H473 HydrophobicContact CE2-CB 3.88Å; F464-H473 AromaticContact CE2-CD2 3.54Å; F464-H473 AromaticContact CE2-CG 3.67Å; F464-H473 HydrophobicContact CZ-CB 3.42Å; F464-H473 VanDerWaalsContact CZ-CB 3.42Å; F464-H473 AromaticContact CZ-CD2 3.64Å; F464-H473 AromaticContact CZ-CG 3.28Å; F464-H473 AromaticContact CZ-ND1 3.76Å; H469-H473 VanDerWaalsContact O-CB 3.27Å; H469-H473 WeakPolarHBondContact O-CB 3.38Å; H469-H473 PolarHBondContact O-N 3.43Å; L470-H473 WeakPolarHBondContact O-CB 3.47Å; L470-H473 PolarHBondContact O-N 3.04Å; H473-K475 PolarHBondContact O-N 3.4Å; H473-K475 VanDerWaalsContact O-N 3.16Å; H473-I476 VanDerWaalsContact O-CB 3.28Å; H473-I476 WeakPolarHBondContact O-CB 3.45Å; H473-I476 WeakPolarHBondContact O-CG1 3.31Å; H473-I476 PolarHBondContact O-N 2.97Å; H473-H477 AromaticContact CD2-NE2 3.85Å; H473-H477 AromaticContact CE1-NE2 3.48Å; H473-H477 PolarHBondContact CE1-NE2 3.21Å; H473-H477 AromaticContact NE2-CD2 3.86Å; H473-H477 AromaticContact NE2-CE1 3.91Å; H473-H477 AromaticContact NE2-NE2 3.01Å; H473-H477 PolarHBondContact NE2-NE2 2.79Å |
| 474 | Q | 81.8 | Confident | 71.6 | Confident | 56 Ų | 56 | 94.8 Ų | 94.8 | 26% | 0.262 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.1 | -24.3 | 177.2 | -76.4 | 178.4 | -32.6 | 0 | 0 | 113.8 | L470 L471 I476 H477 Q478 | L470-Q474 HydrophobicContact CD1-CG 4.21Å; L470-Q474 WeakPolarHBondContact O-CG 3.48Å; L470-Q474 PolarHBondContact O-N 3.06Å; L471-Q474 PolarHBondContact O-N 2.96Å; Q474-I476 PolarHBondContact O-N 3.45Å; Q474-H477 PolarHBondContact O-N 2.91Å; Q474-Q478 PolarHBondContact O-N 2.98Å |
| 475 | K | 83.1 | Confident | 69.5 | Low | 137 Ų | 137 | 97 Ų | 97 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.6 | -22.7 | 174.3 | -64.4 | -180 | -179.8 | -175.8 | 0 | 113.1 | Q472 H473 Q478 R479 | Q472-K475 WeakPolarHBondContact O-CB 3.38Å; Q472-K475 PolarHBondContact O-N 3.48Å; H473-K475 PolarHBondContact O-N 3.4Å; H473-K475 VanDerWaalsContact O-N 3.16Å; K475-Q478 PolarHBondContact O-N 3.24Å; K475-R479 PolarHBondContact O-N 3.33Å |
| 476 | I | 78.6 | Confident | 67.4 | Low | 103 Ų | 103 | 103.8 Ų | 103.8 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 176.5 | -55.5 | 172.1 | 0 | 0 | 0 | 109 | H473 Q474 Q478 R479 E480 | H473-I476 VanDerWaalsContact O-CB 3.28Å; H473-I476 WeakPolarHBondContact O-CB 3.45Å; H473-I476 WeakPolarHBondContact O-CG1 3.31Å; H473-I476 PolarHBondContact O-N 2.97Å; Q474-I476 PolarHBondContact O-N 3.45Å; I476-Q478 VanDerWaalsContact C-N 3.27Å; I476-Q478 PolarHBondContact O-N 3.1Å; I476-R479 PolarHBondContact O-N 2.85Å; I476-R479 VanDerWaalsContact O-N 3.09Å; I476-E480 PolarHBondContact O-N 3.26Å |
| 477 | H | 77.5 | Confident | 65.1 | Low | 19 Ų | 19 | 109.8 Ų | 109.8 | 9% | 0.088 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -60.8 | -35 | 173.8 | -61.9 | -47.6 | 0 | 0 | 0 | 112.7 | C457 E459 H473 Q474 R479 E480 R481 | C457-H477 PolarHBondContact SG-NE2 3.45Å; E459-H477 WeakPolarHBondContact OE2-CB 3.47Å; E459-H477 IonicContact OE2-CD2 3.35Å; E459-H477 IonicContact OE2-CG 3.2Å; E459-H477 IonicContact OE2-ND1 3.38Å; H473-H477 AromaticContact CD2-NE2 3.85Å; H473-H477 AromaticContact CE1-NE2 3.48Å; H473-H477 PolarHBondContact CE1-NE2 3.21Å; H473-H477 AromaticContact NE2-CD2 3.86Å; H473-H477 AromaticContact NE2-CE1 3.91Å; H473-H477 AromaticContact NE2-NE2 3.01Å; H473-H477 PolarHBondContact NE2-NE2 2.79Å; Q474-H477 PolarHBondContact O-N 2.91Å; H477-R479 PolarHBondContact O-N 2.89Å; H477-E480 PolarHBondContact O-N 3.2Å; H477-R481 VanDerWaalsContact O-CB 3.27Å; H477-R481 WeakPolarHBondContact O-CB 3.32Å; H477-R481 PolarHBondContact O-N 3.21Å |
| 478 | Q | 65.6 | Low | 62.9 | Low | 139 Ų | 139 | 109.2 Ų | 109.2 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65 | -36.8 | 174.9 | -68.7 | 177.3 | 4.4 | 0 | 0 | 112.7 | Q474 K475 I476 G482 | Q474-Q478 PolarHBondContact O-N 2.98Å; K475-Q478 PolarHBondContact O-N 3.24Å; I476-Q478 VanDerWaalsContact C-N 3.27Å; I476-Q478 PolarHBondContact O-N 3.1Å; Q478-G482 PolarHBondContact O-N 3.38Å |
| 479 | R | 57.6 | Low | 60.7 | Low | 216 Ų | 216 | 106.1 Ų | 106.1 | 82% | 0.815 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.9 | -38.4 | 173.1 | -87.8 | -172.8 | -171.9 | 173.2 | 2 | 112.3 | K475 I476 H477 G482 G483 | K475-R479 PolarHBondContact O-N 3.33Å; I476-R479 PolarHBondContact O-N 2.85Å; I476-R479 VanDerWaalsContact O-N 3.09Å; H477-R479 PolarHBondContact O-N 2.89Å; R479-G482 PolarHBondContact O-N 2.77Å; R479-G483 PolarHBondContact O-N 3.15Å |
| 480 | E | 53.9 | Low | 58.3 | Low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.2 | -39.3 | -179.7 | -161.2 | 165.4 | -156.1 | 0 | 0 | 111.3 | I476 H477 | I476-E480 PolarHBondContact O-N 3.26Å; H477-E480 PolarHBondContact O-N 3.2Å |
| 481 | R | 54.3 | Low | 56.1 | Low | 178 Ų | 178 | 116.6 Ų | 116.6 | 67% | 0.672 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.4 | -32.1 | 175.6 | -151.1 | -178.8 | -65.7 | -143.3 | 2.3 | 112.9 | E459 H477 G483 | E459-R481 IonicContact OE1-NH2 2.75Å; E459-R481 PolarHBondContact OE1-NH2 3.16Å; E459-R481 IonicContact OE2-CZ 3.47Å; E459-R481 IonicContact OE2-NH2 3.9Å; E459-R481 PolarHBondContact OE2-NH2 3.29Å; H477-R481 VanDerWaalsContact O-CB 3.27Å; H477-R481 WeakPolarHBondContact O-CB 3.32Å; H477-R481 PolarHBondContact O-N 3.21Å; R481-G483 VanDerWaalsContact C-N 3.27Å; R481-G483 PolarHBondContact O-N 3.18Å |
| 482 | G | 47.4 | Very low | 53.6 | Low | 45 Ų | 45 | 118.6 Ų | 118.6 | 46% | 0.464 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.4 | 0.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q478 R479 L484 | Q478-G482 PolarHBondContact O-N 3.38Å; R479-G482 PolarHBondContact O-N 2.77Å; G482-L484 PolarHBondContact O-N 3.35Å |
| 483 | G | 46.7 | Very low | 51.4 | Low | 58 Ų | 58 | 115.6 Ų | 115.6 | 60% | 0.598 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -13.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R479 R481 | R479-G483 PolarHBondContact O-N 3.15Å; R481-G483 VanDerWaalsContact C-N 3.27Å; R481-G483 PolarHBondContact O-N 3.18Å |
| 484 | L | 41.5 | Very low | 48.9 | Very low | 164 Ų | 164 | 122 Ų | 122 | 86% | 0.859 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -119 | 97.6 | 172.8 | -60.4 | 177.3 | 0 | 0 | 0 | 109.4 | G482 | G482-L484 PolarHBondContact O-N 3.35Š|
| 485 | A | 33.5 | Very low | 46.5 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 80.3 | 94.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 486 | L | 33.7 | Very low | 44.6 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 90% | 0.895 | 72% | 0.719 | S | S | * | * | trans | -163.5 | 93.6 | 132.2 | -99.8 | 143.4 | 0 | 0 | 0 | 108.4 | ||||
| 487 | E | 33 | Very low | 42.9 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | trans | -51.1 | 138 | 161.3 | -81.4 | -72 | 106.8 | 0 | 0 | 109.9 | G489 | E487-G489 PolarHBondContact O-N 3.37Š| ||
| 488 | P | 36 | Very low | 40.9 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -74.3 | 85.4 | -177.6 | 28.9 | -32.2 | 0 | 0 | 0 | 111.2 | R490 | P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 PolarHBondContact O-N 3.42Å | ||
| 489 | G | 35.6 | Very low | 39.5 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | -70 | 84.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E487 P491 | E487-G489 PolarHBondContact O-N 3.37Å; G489-P491 WeakPolarHBondContact O-CD 3.43Å | ||
| 490 | R | 32.9 | Very low | 38.4 | Very low | 210 Ų | 210 | 133.7 Ų | 133.7 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -103.6 | 95.2 | 168.2 | -165.9 | -170.4 | -140.6 | -136.5 | 7.2 | 108.8 | P488 N492 | P488-R490 VanDerWaalsContact C-N 3.31Å; P488-R490 PolarHBondContact O-N 3.42Å; R490-N492 HydrophobicContact CG-CB 4.42Å; R490-N492 PolarHBondContact O-N 3.19Å | ||
| 491 | P | 35.2 | Very low | 37.3 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -87.9 | 88.3 | 164 | 32.7 | -26 | 0 | 0 | 0 | 107.6 | G489 | G489-P491 WeakPolarHBondContact O-CD 3.43Š| ||
| 492 | N | 31.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | -135.9 | 67.3 | 166 | -91.1 | -21.4 | 0 | 0 | 0 | 108.7 | R490 | R490-N492 HydrophobicContact CG-CB 4.42Å; R490-N492 PolarHBondContact O-N 3.19Å | ||
| 493 | G | 34.2 | Very low | 35.2 | Very low | 71 Ų | 71 | 136.4 Ų | 136.4 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -110.4 | 118.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 494 | L | 32.9 | Very low | 34.3 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | cis | 48.7 | 95.6 | 49.5 | -68.5 | -175.9 | 0 | 0 | 0 | 112.9 | ||||
| 495 | L | 31 | Very low | 33.6 | Very low | 248 Ų | 248 | 141 Ų | 141 | 100% | 1.298 | 82% | 0.821 | S | S | * | * | trans | 73.7 | 0 | 157.7 | -71.8 | 157.4 | 0 | 0 | 0 | 118.5 |
Retrieved 495 of 495 residues in 95.4 ms
(Link to these results)