| 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 | 35 | Very low | 32.9 | Very low | 237 Ų | 237 | 153.5 Ų | 153.5 | 100% | 1.167 | 79% | 0.794 | S | S | * | * | 0 | 140.5 | 0 | -69.2 | -178.4 | 179.5 | 0 | 0 | 107.4 | |||||
| 2 | L | 30.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 156.8 Ų | 156.8 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | 60.7 | 146.9 | -167.8 | -59.8 | 163.4 | 0 | 0 | 0 | 113.4 | ||||
| 3 | R | 28.7 | Very low | 33.3 | Very low | 219 Ų | 219 | 157.7 Ų | 157.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | 60.9 | 131 | -174.3 | -54.8 | -178.4 | -171.5 | 174.5 | 5.2 | 115.5 | ||||
| 4 | T | 35.3 | Very low | 33.7 | Very low | 108 Ų | 108 | 154.9 Ų | 154.9 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | cis | -159 | 121 | -33.7 | -3.8 | 0 | 0 | 0 | 0 | 106.7 | N6 | T4-N6 PolarHBondContact O-N 2.88Š| ||
| 5 | L | 33.6 | Very low | 33.7 | Very low | 172 Ų | 172 | 151.7 Ų | 151.7 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -79.8 | 57.9 | -178.8 | -68.3 | 169.6 | 0 | 0 | 0 | 112.1 | S7 | L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.83Å | ||
| 6 | N | 32.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -92.4 | 49.8 | 172.6 | -82.5 | -4.3 | 0 | 0 | 0 | 110.8 | T4 | T4-N6 PolarHBondContact O-N 2.88Š| ||
| 7 | S | 31.2 | Very low | 34.4 | Very low | 86 Ų | 86 | 144.8 Ų | 144.8 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | -150.8 | 60.1 | -173.3 | 61.6 | 0 | 0 | 0 | 0 | 111 | L5 | L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.83Å | ||
| 8 | N | 31.7 | Very low | 34.5 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -170.8 | 50 | 168 | -97.4 | -21 | 0 | 0 | 0 | 111.1 | I10 | N8-I10 HydrophobicContact CB-CG1 4.42Å; N8-I10 PolarHBondContact O-N 2.89Å | ||
| 9 | L | 37.9 | Very low | 35 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | trans | -80.3 | 70.5 | 158.1 | -165.5 | 91.9 | 0 | 0 | 0 | 107.5 | D11 | L9-D11 PolarHBondContact O-N 3.45Š| ||
| 10 | I | 37.4 | Very low | 35.4 | Very low | 98 Ų | 98 | 145.1 Ų | 145.1 | 50% | 0.503 | 75% | 0.753 | S | S | . | * | trans | -64.4 | 132.1 | 178.8 | -64.1 | 175.4 | 0 | 0 | 0 | 107.9 | N8 W12 | N8-I10 HydrophobicContact CB-CG1 4.42Å; N8-I10 PolarHBondContact O-N 2.89Å; I10-W12 VanDerWaalsContact O-CD1 3.31Å; I10-W12 PolarHBondContact O-N 2.91Å | ||
| 11 | D | 28.6 | Very low | 35.8 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | -64.5 | 117.9 | 175.5 | -173.4 | 4.1 | 0 | 0 | 0 | 110 | L9 M13 | L9-D11 PolarHBondContact O-N 3.45Å; D11-M13 WeakPolarHBondContact OD1-CB 3.39Å; D11-M13 PolarHBondContact OD1-N 3.07Å | ||
| 12 | W | 36.8 | Very low | 36.2 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 73% | 0.731 | 72% | 0.717 | S | S | * | * | trans | -122.1 | 34.1 | 173.6 | -74.6 | 98.5 | 0 | 0 | 0 | 110.9 | I10 L14 | I10-W12 VanDerWaalsContact O-CD1 3.31Å; I10-W12 PolarHBondContact O-N 2.91Å; W12-L14 HydrophobicContact CE3-CD1 3.91Å; W12-L14 HydrophobicContact CE3-CG 4.11Å; W12-L14 HydrophobicContact CZ3-CD1 4.18Å; W12-L14 PolarHBondContact O-N 2.79Å | ||
| 13 | M | 33.2 | Very low | 36.7 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 83% | 0.828 | 71% | 0.705 | S | S | * | * | trans | -67.8 | 66.4 | 156.5 | -74 | -162.9 | 61.1 | 0 | 0 | 110.7 | D11 | D11-M13 WeakPolarHBondContact OD1-CB 3.39Å; D11-M13 PolarHBondContact OD1-N 3.07Å | ||
| 14 | L | 39.9 | Very low | 37.3 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | trans | -58.7 | 129.4 | 162.6 | -78.4 | 168.6 | 0 | 0 | 0 | 108.4 | W12 | W12-L14 HydrophobicContact CE3-CD1 3.91Å; W12-L14 HydrophobicContact CE3-CG 4.11Å; W12-L14 HydrophobicContact CZ3-CD1 4.18Å; W12-L14 PolarHBondContact O-N 2.79Å | ||
| 15 | P | 34 | Very low | 37.7 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | trans | -54.7 | 141.5 | 178.5 | -27 | 34.9 | 0 | 0 | 0 | 111.7 | G17 | P15-G17 PolarHBondContact O-N 3.23Š| ||
| 16 | T | 44 | Very low | 38 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 88% | 0.883 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -76 | 28.2 | -176.8 | 43.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 17 | G | 34.7 | Very low | 38.3 | Very low | 43 Ų | 43 | 124.8 Ų | 124.8 | 44% | 0.443 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -84.1 | 151.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P15 I19 | P15-G17 PolarHBondContact O-N 3.23Å; G17-I19 PolarHBondContact O-N 2.88Å |
| 18 | D | 36 | Very low | 39 | Very low | 151 Ų | 151 | 127 Ų | 127 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 56.3 | 1 | 160.5 | -55 | -21.9 | 0 | 0 | 0 | 120.5 | K20 A21 | D18-K20 PolarHBondContact O-N 3.05Å; D18-A21 PolarHBondContact O-N 3.36Å |
| 19 | I | 44.4 | Very low | 39 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 45% | 0.446 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -54.7 | -20 | 171.5 | -64 | 174.4 | 0 | 0 | 0 | 112.3 | G17 A21 A22 F23 | G17-I19 PolarHBondContact O-N 2.88Å; I19-A21 PolarHBondContact O-N 3.13Å; I19-A21 VanDerWaalsContact O-N 3.13Å; I19-A22 PolarHBondContact O-N 3.17Å; I19-F23 HydrophobicContact CG2-CD2 4.08Å; I19-F23 HydrophobicContact CG2-CE2 3.71Å |
| 20 | K | 42 | Very low | 38.9 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 88% | 0.878 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -61 | -16.8 | 176.3 | -147.6 | 173 | -172.6 | 177.9 | 0 | 114.3 | D18 | D18-K20 PolarHBondContact O-N 3.05Š|
| 21 | A | 43.7 | Very low | 39.3 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 56% | 0.562 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -87.3 | -28.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D18 I19 F23 | D18-A21 PolarHBondContact O-N 3.36Å; I19-A21 PolarHBondContact O-N 3.13Å; I19-A21 VanDerWaalsContact O-N 3.13Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.02Å; A21-F23 VanDerWaalsContact O-N 3.17Å |
| 22 | A | 43.4 | Very low | 39.9 | Very low | 72 Ų | 72 | 123.7 Ų | 123.7 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | I19 | I19-A22 PolarHBondContact O-N 3.17Š|
| 23 | F | 40.9 | Very low | 39.9 | Very low | 147 Ų | 147 | 119.2 Ų | 119.2 | 65% | 0.645 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 1.1 | -173.1 | -85.7 | -79.1 | 0 | 0 | 0 | 115.2 | I19 A21 I26 | I19-F23 HydrophobicContact CG2-CD2 4.08Å; I19-F23 HydrophobicContact CG2-CE2 3.71Å; A21-F23 VanDerWaalsContact C-N 3.28Å; A21-F23 PolarHBondContact O-N 3.02Å; A21-F23 VanDerWaalsContact O-N 3.17Å; F23-I26 HydrophobicContact CD1-CD1 4.31Å |
| 24 | N | 43.2 | Very low | 40 | Very low | 130 Ų | 130 | 122 Ų | 122 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -83.6 | -23.1 | -176.2 | -65.2 | -33.8 | 0 | 0 | 0 | 114 | ||
| 25 | D | 42.5 | Very low | 40.1 | Very low | 143 Ų | 143 | 120.8 Ų | 120.8 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | trans | -106.2 | 26.1 | -165.6 | -55.7 | -47.9 | 0 | 0 | 0 | 114.7 | P27 | D25-P27 VanDerWaalsContact O-CD 3.29Å; D25-P27 WeakPolarHBondContact O-CD 3.29Å | ||
| 26 | I | 40.2 | Very low | 40.6 | Very low | 103 Ų | 103 | 122.2 Ų | 122.2 | 53% | 0.528 | 71% | 0.707 | S | S | . | * | trans | -95.6 | 107.4 | 178.1 | -56.6 | 178.9 | 0 | 0 | 0 | 109.9 | F23 T28 | F23-I26 HydrophobicContact CD1-CD1 4.31Å; I26-T28 PolarHBondContact O-N 3.03Å | ||
| 27 | P | 37.7 | Very low | 40.4 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | trans | -72.4 | 113.3 | -178.2 | 28.7 | -34.4 | 0 | 0 | 0 | 111.5 | D25 G29 | D25-P27 VanDerWaalsContact O-CD 3.29Å; D25-P27 WeakPolarHBondContact O-CD 3.29Å; P27-G29 PolarHBondContact O-N 2.8Å; P27-G29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | T | 46.2 | Very low | 40.8 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -74.5 | 97.2 | 173.7 | 53 | 0 | 0 | 0 | 0 | 110.4 | I26 | I26-T28 PolarHBondContact O-N 3.03Š| ||
| 29 | G | 33.4 | Very low | 41.6 | Very low | 64 Ų | 64 | 125.7 Ų | 125.7 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -68.2 | 158.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P27 | P27-G29 PolarHBondContact O-N 2.8Å; P27-G29 VanDerWaalsContact O-N 3.09Å | ||
| 30 | H | 35.5 | Very low | 41.5 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | trans | 71.1 | 56.7 | 168.2 | -55.3 | -40.3 | 0 | 0 | 0 | 118.6 | P32 | H30-P32 WeakPolarHBondContact O-CD 3.39Š| ||
| 31 | T | 44.2 | Very low | 42.2 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | -72.7 | 122.7 | 140.5 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | T33 | T31-T33 PolarHBondContact O-N 3.07Å; T31-T33 VanDerWaalsContact O-N 3.17Å | ||
| 32 | P | 41.6 | Very low | 42.3 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | trans | -72.2 | 106.5 | 169.9 | -14 | 30 | 0 | 0 | 0 | 109.7 | H30 | H30-P32 WeakPolarHBondContact O-CD 3.39Š| ||
| 33 | T | 38 | Very low | 42.5 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | -68.9 | 161.5 | 168.3 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | T31 | T31-T33 PolarHBondContact O-N 3.07Å; T31-T33 VanDerWaalsContact O-N 3.17Å | ||
| 34 | Y | 35.3 | Very low | 42.9 | Very low | 227 Ų | 227 | 125.7 Ų | 125.7 | 89% | 0.89 | 70% | 0.697 | S | S | * | * | trans | 79.1 | 68.1 | 176.9 | -45.5 | -69.3 | 0 | 0 | 0 | 116.9 | ||||
| 35 | A | 41 | Very low | 43 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -138.1 | 143.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | D37 | A35-D37 PolarHBondContact O-N 3.1Š| ||
| 36 | T | 44.5 | Very low | 43.3 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | trans | -91.7 | 10.9 | -159.2 | 43.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 37 | D | 39.6 | Very low | 43.6 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | trans | -120.1 | 125.9 | -157.1 | -52.1 | -1 | 0 | 0 | 0 | 111.3 | A35 S39 | A35-D37 PolarHBondContact O-N 3.1Å; D37-S39 PolarHBondContact O-N 3.38Å | ||
| 38 | D | 43.2 | Very low | 44 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 98% | 0.979 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 16.3 | -170.6 | -69 | -50.3 | 0 | 0 | 0 | 116.7 | ||
| 39 | S | 52.5 | Low | 44 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -4.6 | -175.3 | -172.4 | 0 | 0 | 0 | 0 | 114.8 | D37 K41 | D37-S39 PolarHBondContact O-N 3.38Å; S39-K41 PolarHBondContact O-N 3.42Å |
| 40 | Y | 43.2 | Very low | 44.9 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | trans | -90.6 | 90.7 | -173.4 | -156.2 | -86.8 | 0 | 0 | 0 | 113.5 | D42 | Y40-D42 PolarHBondContact O-N 3.21Š| ||
| 41 | K | 55.6 | Low | 45.9 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | trans | -73.8 | 116.9 | 162.4 | -73.2 | -176.2 | 178 | 179.5 | 0 | 109.5 | S39 F43 | S39-K41 PolarHBondContact O-N 3.42Å; K41-F43 HydrophobicContact CB-CD2 4.48Å; K41-F43 HydrophobicContact CB-CE2 3.85Å; K41-F43 HydrophobicContact CB-CZ 3.9Å; K41-F43 HydrophobicContact CD-CZ 4.47Å; K41-F43 WeakPolarHBondContact O-CD2 3.44Å; K41-F43 WeakPolarHBondContact O-CE2 3.37Å; K41-F43 PolarHBondContact O-N 2.93Å | ||
| 42 | D | 47.1 | Very low | 45.8 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 43% | 0.433 | 64% | 0.644 | S | S | . | * | trans | -69.2 | 116.5 | 171.4 | 176.9 | 28.3 | 0 | 0 | 0 | 110.7 | Y40 S44 | Y40-D42 PolarHBondContact O-N 3.21Å; D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.09Å; D42-S44 PolarHBondContact OD1-OG 2.96Å | ||
| 43 | F | 46.9 | Very low | 46.1 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 35% | 0.346 | 64% | 0.639 | S | S | . | * | trans | -98.7 | 1.3 | 177.7 | -67.4 | -77.1 | 0 | 0 | 0 | 113.2 | K41 K45 W46 | K41-F43 HydrophobicContact CB-CD2 4.48Å; K41-F43 HydrophobicContact CB-CE2 3.85Å; K41-F43 HydrophobicContact CB-CZ 3.9Å; K41-F43 HydrophobicContact CD-CZ 4.47Å; K41-F43 WeakPolarHBondContact O-CD2 3.44Å; K41-F43 WeakPolarHBondContact O-CE2 3.37Å; K41-F43 PolarHBondContact O-N 2.93Å; F43-K45 PolarHBondContact O-N 3.17Å; F43-K45 VanDerWaalsContact O-N 3.15Å; F43-W46 HydrophobicContact CD1-CE3 4.01Å; F43-W46 HydrophobicContact CD1-CZ3 4.11Å; F43-W46 HydrophobicContact CE1-CZ3 4.16Å; F43-W46 PolarHBondContact O-N 2.93Å | ||
| 44 | S | 49.7 | Very low | 45.9 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 48% | 0.476 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -57.8 | -31.8 | -175.9 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | D42 W46 E47 | D42-S44 WeakPolarHBondContact OD1-CB 3.41Å; D42-S44 PolarHBondContact OD1-N 3.09Å; D42-S44 PolarHBondContact OD1-OG 2.96Å; S44-W46 PolarHBondContact O-N 2.9Å; S44-W46 VanDerWaalsContact O-N 3.09Å; S44-E47 PolarHBondContact O-N 3.34Å |
| 45 | K | 45.9 | Very low | 46.3 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -59 | -17.2 | 173.4 | -82.1 | -173.3 | 172.9 | -179.5 | 0 | 114.8 | F43 | F43-K45 PolarHBondContact O-N 3.17Å; F43-K45 VanDerWaalsContact O-N 3.15Å |
| 46 | W | 47.1 | Very low | 46 | Very low | 157 Ų | 157 | 122 Ų | 122 | 60% | 0.595 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -101.5 | -12.1 | -175.7 | -67 | -1.6 | 0 | 0 | 0 | 114.5 | F43 S44 N48 | F43-W46 HydrophobicContact CD1-CE3 4.01Å; F43-W46 HydrophobicContact CD1-CZ3 4.11Å; F43-W46 HydrophobicContact CE1-CZ3 4.16Å; F43-W46 PolarHBondContact O-N 2.93Å; S44-W46 PolarHBondContact O-N 2.9Å; S44-W46 VanDerWaalsContact O-N 3.09Å; W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 3.16Å |
| 47 | E | 47.2 | Very low | 45.9 | Very low | 168 Ų | 168 | 124 Ų | 124 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -17 | -176.4 | -58.9 | -152.8 | 136.4 | 0 | 0 | 113.6 | S44 L49 | S44-E47 PolarHBondContact O-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.01Å |
| 48 | N | 46.1 | Very low | 45.9 | Very low | 137 Ų | 137 | 127.3 Ų | 127.3 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -3 | 179.1 | -69.4 | -39.2 | 0 | 0 | 0 | 114.7 | W46 N50 | W46-N48 VanDerWaalsContact C-N 3.3Å; W46-N48 PolarHBondContact O-N 3.16Å; N48-N50 PolarHBondContact O-N 3.37Å |
| 49 | L | 46.9 | Very low | 45.4 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 41% | 0.414 | 63% | 0.625 | S | S | . | * | trans | -81.7 | 76.7 | -174.2 | -67.3 | 167.7 | 0 | 0 | 0 | 112.9 | E47 S331 | E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 3.01Å; L49-S331 WeakPolarHBondContact O-CB 3.28Å; L49-S331 PolarHBondContact O-OG 3.13Å | ||
| 50 | N | 51.5 | Low | 44.5 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 44% | 0.444 | 63% | 0.629 | S | S | . | * | trans | -99.7 | -7.4 | 162.2 | -86.4 | -91.3 | 0 | 0 | 0 | 113.5 | N48 | N48-N50 PolarHBondContact O-N 3.37Š| ||
| 51 | T | 57 | Low | 44.1 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -70.2 | 134.2 | 163.7 | 42.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 52 | P | 41.9 | Very low | 43.2 | Very low | 34 Ų | 34 | 126 Ų | 126 | 22% | 0.221 | 64% | 0.64 | C | S | . | * | P | Polyproline II helix | trans | -67 | 132.4 | 166.3 | 29.6 | -32.2 | 0 | 0 | 0 | 108.8 | F63 | P52-F63 HydrophobicContact CB-CE1 4.48Å; P52-F63 HydrophobicContact CB-CZ 4.24Å; P52-F63 HydrophobicContact CG-CD1 4.43Å; P52-F63 HydrophobicContact CG-CE1 3.68Å; P52-F63 HydrophobicContact CG-CE2 4.43Å; P52-F63 HydrophobicContact CG-CZ 3.68Å |
| 53 | T | 47.4 | Very low | 42.7 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 128.4 | 168.6 | -40.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 54 | P | 35.2 | Very low | 42.3 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 57% | 0.565 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.3 | 166.4 | -22.9 | 34.5 | 0 | 0 | 0 | 110.2 | ||
| 55 | L | 42.1 | Very low | 41.7 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 118.6 | 165.5 | -90.5 | 159.4 | 0 | 0 | 0 | 106.5 | K57 | L55-K57 PolarHBondContact O-N 2.89Š|
| 56 | D | 36 | Very low | 41.2 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -69.9 | 91.7 | -176.7 | -57.7 | -52.2 | 0 | 0 | 0 | 110.9 | ||
| 57 | K | 42 | Very low | 40.8 | Very low | 181 Ų | 181 | 132 Ų | 132 | 79% | 0.787 | 68% | 0.682 | S | S | * | * | trans | -168.4 | 139.1 | 160.7 | -104 | 148 | -168.6 | -176.5 | 0 | 111.2 | L55 | L55-K57 PolarHBondContact O-N 2.89Š| ||
| 58 | E | 38.7 | Very low | 40.3 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 64.2 | 152.4 | 175.4 | -68.6 | 146.2 | -126.9 | 0 | 0 | 115.1 | ||
| 59 | S | 33.3 | Very low | 39.9 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -96.4 | 168.2 | -156.8 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | N61 | S59-N61 PolarHBondContact O-N 3.4Å; S59-N61 PolarHBondContact O-ND2 3.36Å |
| 60 | D | 33.4 | Very low | 39.5 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | 55.5 | 52.3 | 154.3 | -48.4 | -41.4 | 0 | 0 | 0 | 117.5 | ||||
| 61 | N | 35 | Very low | 38.6 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -128.6 | 97.7 | 165.8 | -85.7 | -85.7 | 0 | 0 | 0 | 112.7 | S59 | S59-N61 PolarHBondContact O-N 3.4Å; S59-N61 PolarHBondContact O-ND2 3.36Å | ||
| 62 | Y | 36.5 | Very low | 37.6 | Very low | 220 Ų | 220 | 136 Ų | 136 | 86% | 0.863 | 71% | 0.709 | S | S | * | * | trans | -62.4 | 139.3 | 166.6 | -113.3 | -108.9 | 0 | 0 | 0 | 110.3 | I64 | Y62-I64 PolarHBondContact O-N 3.11Š| ||
| 63 | F | 37.1 | Very low | 37.4 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 61% | 0.614 | 74% | 0.736 | S | S | * | * | trans | -71.8 | 74.6 | 175.2 | -93.2 | -85.6 | 0 | 0 | 0 | 112.2 | P52 | P52-F63 HydrophobicContact CB-CE1 4.48Å; P52-F63 HydrophobicContact CB-CZ 4.24Å; P52-F63 HydrophobicContact CG-CD1 4.43Å; P52-F63 HydrophobicContact CG-CE1 3.68Å; P52-F63 HydrophobicContact CG-CE2 4.43Å; P52-F63 HydrophobicContact CG-CZ 3.68Å | ||
| 64 | I | 38.5 | Very low | 36.6 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -78 | 121.1 | 167.1 | -60.5 | 176.3 | 0 | 0 | 0 | 107.9 | Y62 P66 | Y62-I64 PolarHBondContact O-N 3.11Å; I64-P66 WeakPolarHBondContact O-CD 3.33Å |
| 65 | Y | 36.3 | Very low | 36.5 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 120.5 | 168.8 | -75.5 | -81 | 0 | 0 | 0 | 108.8 | ||
| 66 | P | 36.7 | Very low | 36 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64 | 134.9 | 174.2 | 26.4 | -33.3 | 0 | 0 | 0 | 109.5 | I64 | I64-P66 WeakPolarHBondContact O-CD 3.33Š|
| 67 | P | 37.2 | Very low | 36 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 153.6 | 169.4 | 27.3 | -33.5 | 0 | 0 | 0 | 110 | ||
| 68 | N | 37.4 | Very low | 35.6 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130.4 | -178 | -67.9 | -52.6 | 0 | 0 | 0 | 110.4 | V70 | N68-V70 PolarHBondContact O-N 3.46Å; N68-V70 VanDerWaalsContact O-N 3.11Å |
| 69 | P | 37.7 | Very low | 35.5 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | -68.9 | 111.5 | -177.5 | 26.9 | -34.1 | 0 | 0 | 0 | 110.9 | I71 | P69-I71 PolarHBondContact O-N 3.4Š| ||
| 70 | V | 38.7 | Very low | 35.5 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | trans | -82.5 | 104.9 | 167.8 | 178.2 | 0 | 0 | 0 | 0 | 107.7 | N68 K72 | N68-V70 PolarHBondContact O-N 3.46Å; N68-V70 VanDerWaalsContact O-N 3.11Å; V70-K72 PolarHBondContact O-N 2.96Å | ||
| 71 | I | 33.3 | Very low | 35.4 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -75.3 | 117 | 178.5 | -56.3 | 172.6 | 0 | 0 | 0 | 109.4 | P69 | P69-I71 PolarHBondContact O-N 3.4Š| ||
| 72 | K | 35.9 | Very low | 35.3 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | trans | -136 | 158.6 | 156.9 | -80 | -167.9 | 171.4 | -179.7 | 0 | 109.1 | V70 L90 | V70-K72 PolarHBondContact O-N 2.96Å; K72-L90 HydrophobicContact CD-CD1 4.48Å | ||
| 73 | V | 36.2 | Very low | 34.9 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -106.3 | 156.2 | -163.6 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 74 | E | 31.8 | Very low | 34.5 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -36.8 | 168.4 | 168.1 | -66.8 | 173.8 | -159.7 | 0 | 0 | 116.9 | ||||
| 75 | P | 33.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | cis | -130.5 | -161 | 17.1 | 38.9 | -18.4 | 0 | 0 | 0 | 116 | ||||
| 76 | S | 30.4 | Very low | 33.8 | Very low | 90 Ų | 90 | 140.9 Ų | 140.9 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | -99.3 | 172.4 | -158.1 | 60.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 77 | E | 36.4 | Very low | 33.4 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | 71.6 | 89.3 | 158.9 | -75.6 | 146 | -103.5 | 0 | 0 | 118.4 | ||||
| 78 | D | 34.5 | Very low | 33 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | 60.6 | 106.7 | 125.7 | -54.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 79 | E | 36.7 | Very low | 32.8 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | 64.4 | 130.1 | 83.2 | -73.5 | -149.7 | 168.1 | 0 | 0 | 113.2 | |||||
| 80 | Q | 32.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | cis | -143.9 | 161.8 | 32.6 | -67.6 | 177.4 | -12.5 | 0 | 0 | 114.9 | ||||
| 81 | N | 30.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 146.2 Ų | 146.2 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | 96.6 | 151.7 | 138.1 | -139 | -10.9 | 0 | 0 | 0 | 120.4 | ||||
| 82 | I | 32.4 | Very low | 31.9 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | trans | 65.3 | 78 | 170.6 | -44.9 | -174 | 0 | 0 | 0 | 116.5 | ||||
| 83 | Q | 29.6 | Very low | 31.7 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | 50.6 | 138.6 | 116 | -62.1 | 172.2 | -12.9 | 0 | 0 | 121.1 | |||||
| 84 | N | 28.5 | Very low | 31.6 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 93.5 | 134 | 162.2 | -60 | -63.3 | 0 | 0 | 0 | 118.5 | ||||
| 85 | R | 30.1 | Very low | 31.5 | Very low | 224 Ų | 224 | 149.9 Ų | 149.9 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 75 | 99.6 | 159.2 | -71.5 | 175.5 | 176.3 | 170.2 | -0.1 | 119.2 | ||||
| 86 | N | 30.5 | Very low | 31.6 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | 100 | 112.8 | 128.7 | -55.5 | -12.7 | 0 | 0 | 0 | 118.9 | |||||
| 87 | N | 26.5 | Very low | 32 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 53.6 | 118.2 | 133.6 | -53.5 | -14.9 | 0 | 0 | 0 | 119.9 | ||||
| 88 | S | 30.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | 161.9 | 60 | 108.2 | -68.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 89 | Q | 31.8 | Very low | 31.5 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -143.9 | 142 | 167.1 | -59 | -157.9 | 60.4 | 0 | 0 | 109.7 | ||||
| 90 | L | 31.2 | Very low | 31.4 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 58% | 0.581 | 77% | 0.774 | S | S | * | * | cis | -152.3 | 145.3 | -22.4 | -130.8 | 174.1 | 0 | 0 | 0 | 106.1 | K72 E92 | K72-L90 HydrophobicContact CD-CD1 4.48Å; L90-E92 PolarHBondContact O-N 3.49Å | ||
| 91 | L | 31.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 150 Ų | 150 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | trans | -63.1 | 101 | -165.3 | -78.1 | 159.2 | 0 | 0 | 0 | 114.3 | ||||
| 92 | E | 28.4 | Very low | 31.1 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | trans | -67.3 | 128.4 | 163.8 | -174 | 174 | -149.3 | 0 | 0 | 109.8 | L90 Q94 | L90-E92 PolarHBondContact O-N 3.49Å; E92-Q94 PolarHBondContact O-N 3.48Å | ||
| 93 | V | 31.7 | Very low | 30.9 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -80.3 | 87.9 | -173.1 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | Y95 | V93-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact O-N 3.17Å | ||
| 94 | Q | 33.6 | Very low | 30.9 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -57.9 | 115.4 | 176.8 | -67.1 | -178 | -10.9 | 0 | 0 | 111.6 | E92 L96 | E92-Q94 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.32Å | ||
| 95 | Y | 31.6 | Very low | 31 | Very low | 223 Ų | 223 | 145.5 Ų | 145.5 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 80.5 | 173.2 | -76.5 | -83.9 | 0 | 0 | 0 | 111 | V93 K97 | V93-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact O-N 3.17Å; Y95-K97 PolarHBondContact O-N 3.5Å; Y95-K97 VanDerWaalsContact O-N 3.07Å | ||
| 96 | L | 35.8 | Very low | 31 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -58.8 | 109.9 | 175.6 | -67.9 | 172.4 | 0 | 0 | 0 | 111.2 | Q94 | Q94-L96 VanDerWaalsContact C-N 3.31Å; Q94-L96 PolarHBondContact O-N 3.32Å | ||
| 97 | K | 37.7 | Very low | 30.9 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 131.3 | 165.9 | -88.4 | 178.6 | 174.9 | 172 | 0 | 109.1 | Y95 L99 | Y95-K97 PolarHBondContact O-N 3.5Å; Y95-K97 VanDerWaalsContact O-N 3.07Å; K97-L99 PolarHBondContact O-N 3.07Å | ||
| 98 | P | 30.9 | Very low | 30.9 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -63.7 | 126.7 | 178.1 | -22.7 | 33.7 | 0 | 0 | 0 | 112.3 | A100 | P98-A100 PolarHBondContact O-N 3.44Å; P98-A100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | L | 30.7 | Very low | 30.9 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | -72.4 | 102.2 | 164.7 | -97.5 | 66.8 | 0 | 0 | 0 | 108.7 | K97 T101 | K97-L99 PolarHBondContact O-N 3.07Å; L99-T101 PolarHBondContact O-N 2.99Å | ||
| 100 | A | 32.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -76.7 | 112.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110 | P98 | P98-A100 PolarHBondContact O-N 3.44Å; P98-A100 VanDerWaalsContact O-N 3.16Å | ||
| 101 | T | 27.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 126.3 | 174 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | L99 | L99-T101 PolarHBondContact O-N 2.99Š| ||
| 102 | N | 29.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | -164.9 | 109 | 145.4 | -96.9 | -22.6 | 0 | 0 | 0 | 107.7 | ||||
| 103 | T | 27.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 64% | 0.638 | 75% | 0.749 | S | S | * | * | 71.9 | 138.3 | 80 | 60 | 0 | 0 | 0 | 0 | 113 | |||||
| 104 | N | 29.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | trans | 65.5 | 127.2 | 168.9 | -68.6 | 52.4 | 0 | 0 | 0 | 116.8 | ||||
| 105 | D | 31.8 | Very low | 31.6 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -142.5 | 131.1 | -6 | -83.7 | -50.2 | 0 | 0 | 0 | 111.8 | ||||
| 106 | Q | 28.6 | Very low | 31.5 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -134.2 | 98.3 | 142.6 | -82.2 | -166.3 | -10.9 | 0 | 0 | 107.1 | V108 | Q106-V108 PolarHBondContact O-N 3.28Š| ||
| 107 | T | 29.5 | Very low | 31.6 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -73.8 | 90.5 | 172.7 | 47 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 108 | V | 26.3 | Very low | 31.2 | Very low | 129 Ų | 129 | 133 Ų | 133 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | -103.4 | 89.1 | 162.5 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | Q106 | Q106-V108 PolarHBondContact O-N 3.28Š| ||
| 109 | T | 31.1 | Very low | 31.1 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -74.2 | 143.2 | 158.1 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 110 | Q | 31.7 | Very low | 31.2 | Very low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | cis | -177 | -173.3 | 4.4 | -107.7 | -174.5 | 8.7 | 0 | 0 | 105.5 | ||||
| 111 | P | 37.6 | Very low | 31 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -144 | -179.6 | -49.5 | 44.1 | -27.2 | 0 | 0 | 0 | 116 | ||||
| 112 | Q | 33.2 | Very low | 31.2 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | 74.6 | 123.2 | 145.3 | -60.6 | -128.3 | -54.5 | 0 | 0 | 124.3 | ||||
| 113 | I | 32.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 138 Ų | 138 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | trans | 73.9 | 133.8 | 134 | -65.7 | 173.3 | 0 | 0 | 0 | 117.3 | ||||
| 114 | Q | 33.7 | Very low | 31.5 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | cis | -146.8 | 170.9 | 15.1 | -143.7 | 153 | 20.7 | 0 | 0 | 113.7 | ||||
| 115 | S | 33.5 | Very low | 31.9 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | trans | -75.5 | 161.3 | 175.9 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 116 | P | 30.7 | Very low | 32.2 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | cis | -120.3 | 163.5 | 23.6 | 40.5 | -27.6 | 0 | 0 | 0 | 116.4 | V118 | P116-V118 PolarHBondContact O-N 3.31Š| ||
| 117 | L | 36.3 | Very low | 32.2 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 92% | 0.916 | 74% | 0.74 | S | S | * | * | trans | -80.9 | 79.1 | -155.5 | -59.2 | 177.5 | 0 | 0 | 0 | 116.1 | ||||
| 118 | V | 29.9 | Very low | 32.2 | Very low | 126 Ų | 126 | 136 Ų | 136 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | -148.1 | 165.6 | 162.8 | -147.6 | 0 | 0 | 0 | 0 | 110.3 | P116 | P116-V118 PolarHBondContact O-N 3.31Š| ||
| 119 | Y | 29.5 | Very low | 32.6 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | 86.4 | 108 | 159.4 | -103.4 | -112 | 0 | 0 | 0 | 122 | ||||
| 120 | L | 31.3 | Very low | 32.6 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | 60.6 | 154.1 | 128.4 | -77.3 | -169.7 | 0 | 0 | 0 | 126.1 | |||||
| 121 | N | 30.2 | Very low | 32.8 | Very low | 141 Ų | 141 | 133 Ų | 133 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 83.7 | 158.2 | 158.4 | -62.3 | -17 | 0 | 0 | 0 | 119.9 | ||||
| 122 | L | 30.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | cis | 171 | 136.3 | -44.7 | 179.9 | 67.7 | 0 | 0 | 0 | 106.7 | ||||
| 123 | E | 32.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 136 Ų | 136 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 26.8 | 134.2 | 161.7 | -65.1 | 159.3 | -162.7 | 0 | 0 | 120.6 | ||||
| 124 | S | 31.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | -171.7 | 150.5 | 67.4 | 30.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 125 | H | 38.9 | Very low | 33.4 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | 49.6 | 137.5 | 73 | -62.4 | -53.8 | 0 | 0 | 0 | 113 | |||||
| 126 | P | 38.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | cis | -129.5 | -167.6 | 36.7 | 43.6 | -25.4 | 0 | 0 | 0 | 112.1 | ||||
| 127 | N | 28.4 | Very low | 33.5 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | cis | -157.4 | 152 | 21 | -145.1 | -8.6 | 0 | 0 | 0 | 114.2 | ||||
| 128 | S | 30 | Very low | 33.5 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | trans | 50.1 | 136.4 | 145.9 | 59.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 129 | S | 33.5 | Very low | 33.5 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | cis | -176.5 | 138.7 | -1.9 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 130 | N | 30.6 | Very low | 33.6 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 65.9 | 159.6 | 150.6 | -47.5 | -3.4 | 0 | 0 | 0 | 116.6 | ||||
| 131 | T | 36.5 | Very low | 33.6 | Very low | 99 Ų | 99 | 142.6 Ų | 142.6 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | cis | -136.2 | 142.6 | 5.9 | 35.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 132 | E | 38.6 | Very low | 33.6 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | 55.8 | 150.3 | 128.4 | -60.7 | 152.7 | -175 | 0 | 0 | 120.6 | |||||
| 133 | E | 37.9 | Very low | 33.8 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -161.7 | 173 | 1.9 | -129.7 | -173.3 | 160.1 | 0 | 0 | 113 | ||||
| 134 | I | 37.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | 55.7 | 112.9 | 154 | -61.3 | 158.6 | 0 | 0 | 0 | 117.7 | ||||
| 135 | K | 36.1 | Very low | 34 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | 85 | 113.6 | 31.7 | -166.9 | -173 | -177.7 | 180 | 0 | 115.6 | ||||
| 136 | L | 33.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 178.4 | 143.3 | 129.7 | -97.9 | 163.7 | 0 | 0 | 0 | 112.5 | |||||
| 137 | E | 32.7 | Very low | 33.4 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -111.6 | 166.2 | 170.1 | -58.1 | 167.2 | 115.5 | 0 | 0 | 109.4 | ||||
| 138 | I | 35.8 | Very low | 33.7 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -167.2 | 150.4 | 147.6 | -104.1 | 151 | 0 | 0 | 0 | 110.3 | ||||
| 139 | L | 30.3 | Very low | 33.7 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -93.6 | 165.2 | -179.3 | -61.1 | 88.2 | 0 | 0 | 0 | 112.3 | ||||
| 140 | N | 32 | Very low | 33.8 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | 172 | 125.5 | 122 | -83.4 | -3.7 | 0 | 0 | 0 | 109.1 | |||||
| 141 | E | 31.9 | Very low | 33.8 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | 94.8 | 153.2 | 68.8 | -125.1 | 178.2 | -156.9 | 0 | 0 | 112.5 | |||||
| 142 | A | 30 | Very low | 33.4 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -122.8 | 156.6 | -153.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 143 | V | 34 | Very low | 33.2 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -139.2 | 136.5 | 169.2 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 144 | S | 31.5 | Very low | 32.7 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -99.4 | 165 | -178 | -45.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 145 | L | 35.6 | Very low | 32.6 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | trans | -163.4 | 150 | 144.2 | -110.4 | 148.7 | 0 | 0 | 0 | 112.3 | ||||
| 146 | E | 30.8 | Very low | 32.2 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -119.5 | 161.1 | -172.6 | -51.7 | 176.2 | 137.3 | 0 | 0 | 111.6 | ||||
| 147 | S | 35.9 | Very low | 32.3 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -178.6 | 123.3 | 137.4 | 27.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 148 | H | 34.4 | Very low | 32.2 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | 58.8 | 89.7 | 134.8 | -49.6 | -44.8 | 0 | 0 | 0 | 124.8 | ||||
| 149 | T | 29.7 | Very low | 32.2 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | 17.5 | 136.8 | 120.8 | 58.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 150 | T | 34.2 | Very low | 32.3 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | 179 | 156.7 | 111.2 | 27.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 151 | P | 31 | Very low | 32.2 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -138.6 | -179.9 | -169.8 | 43.3 | -24.7 | 0 | 0 | 0 | 118.9 | ||||
| 152 | I | 28.3 | Very low | 32.4 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | trans | 82.8 | 123 | 160.8 | -51.7 | 165 | 0 | 0 | 0 | 119.7 | ||||
| 153 | K | 34.7 | Very low | 32.5 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | -178.3 | 134.8 | 123.4 | -99.7 | 165 | -171.4 | 174.1 | 0 | 114.2 | |||||
| 154 | N | 27.5 | Very low | 32.6 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -93.4 | 157 | 173.5 | -69 | 1 | 0 | 0 | 0 | 112.1 | ||||
| 155 | Y | 34.1 | Very low | 32.9 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -148.4 | 135 | 157.4 | -98.3 | -81.8 | 0 | 0 | 0 | 111.6 | ||||
| 156 | N | 29.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -104.7 | 150.7 | 162.1 | -90.9 | -8.6 | 0 | 0 | 0 | 108.9 | ||||
| 157 | S | 34.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -161.3 | 140.1 | 165.5 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 158 | D | 30.5 | Very low | 32.9 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -85.7 | 159 | -176.5 | -42.3 | -100 | 0 | 0 | 0 | 113.9 | ||||
| 159 | A | 35.1 | Very low | 33 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -169.5 | 114 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 160 | I | 33.9 | Very low | 33 | Very low | 153 Ų | 153 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 74.2 | 119.5 | 121.9 | -64.8 | 167.4 | 0 | 0 | 0 | 122.9 | |||||
| 161 | F | 29.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 67.3 | 160 | 148.4 | -83.4 | -140.9 | 0 | 0 | 0 | 119.6 | ||||
| 162 | D | 35.4 | Very low | 32.7 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -144 | 178.7 | 17.2 | -141.9 | -35.3 | 0 | 0 | 0 | 114.4 | ||||
| 163 | H | 32.4 | Very low | 33 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -133.9 | 135.6 | -161.1 | -174.3 | -67.4 | 0 | 0 | 0 | 115.8 | ||||
| 164 | W | 36.1 | Very low | 32.9 | Very low | 240 Ų | 240 | 146.9 Ų | 146.9 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -149.8 | 103.2 | 171.1 | 30.6 | -63.7 | 0 | 0 | 0 | 110.7 | ||||
| 165 | S | 36.9 | Very low | 33.1 | Very low | 89 Ų | 89 | 149.6 Ų | 149.6 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | 76.8 | 95.3 | 89.7 | -67.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 166 | T | 32.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | 93.7 | 156.2 | 65 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 167 | D | 35.4 | Very low | 33 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 78 | 140.3 | 168.7 | -67.4 | -67.4 | 0 | 0 | 0 | 119.3 | ||||
| 168 | S | 35.9 | Very low | 32.6 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | cis | -163.2 | 159.2 | -16.7 | -124.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 169 | L | 35.3 | Very low | 32.8 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 57.8 | 111.5 | 148.6 | -61.1 | 166.3 | 0 | 0 | 0 | 122.7 | ||||
| 170 | L | 30.9 | Very low | 32.6 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 37.9 | 120.6 | 120.9 | -60.9 | 172.9 | 0 | 0 | 0 | 120.7 | |||||
| 171 | N | 31.5 | Very low | 32.3 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | -173.1 | 153.4 | 96.4 | -100.9 | -47.4 | 0 | 0 | 0 | 114.6 | |||||
| 172 | S | 26.2 | Very low | 32.3 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -113.6 | 119 | 179.4 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 173 | T | 35.2 | Very low | 31.9 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -141.7 | 133.3 | 161.8 | 39.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 174 | K | 32.1 | Very low | 31.8 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 149.1 | 167.9 | -57.7 | 168 | 179.4 | 173.8 | 0 | 109 | ||||
| 175 | F | 33.2 | Very low | 31.4 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | -165.9 | 150.8 | 127.1 | -100.9 | -63.6 | 0 | 0 | 0 | 112.8 | |||||
| 176 | N | 30.1 | Very low | 31 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -64.5 | 173.1 | -160.9 | -86.5 | 1.8 | 0 | 0 | 0 | 120.7 | ||||
| 177 | T | 30.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | 82.6 | 96 | 142.1 | 35.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 178 | D | 27.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 150.2 Ų | 150.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 43.9 | 112.6 | 120.2 | -52.5 | -12.2 | 0 | 0 | 0 | 120.4 | |||||
| 179 | T | 33.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -155.2 | 163.9 | 139.3 | -4.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 180 | V | 31 | Very low | 29.8 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -109.1 | 136.6 | -152.6 | 171 | 0 | 0 | 0 | 0 | 115 | ||||
| 181 | S | 28.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 32.4 | 117.2 | 157.2 | -56.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 182 | S | 29.7 | Very low | 29.6 | Very low | 118 Ų | 118 | 151.7 Ų | 151.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -70 | 141.1 | 156.8 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 183 | N | 27.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 153 Ų | 153 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -81.5 | -168.8 | 163.8 | -83.8 | -72.8 | 0 | 0 | 0 | 111.2 | ||||
| 184 | Y | 29.1 | Very low | 29.9 | Very low | 211 Ų | 211 | 153.2 Ų | 153.2 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 87.1 | 121.8 | 172.3 | -59.2 | -86.3 | 0 | 0 | 0 | 115.2 | ||||
| 185 | R | 27.6 | Very low | 30 | Very low | 207 Ų | 207 | 149 Ų | 149 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | cis | 86.7 | 118.6 | 19.1 | -160.4 | -167.5 | -169 | 175.7 | 6.7 | 114.7 | ||||
| 186 | N | 28.4 | Very low | 29.9 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | 85.5 | 130.5 | 152.6 | -86.5 | 19.3 | 0 | 0 | 0 | 121.6 | ||||
| 187 | L | 27.8 | Very low | 29.9 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 87.9 | 136.3 | 142.3 | -68.2 | 163.3 | 0 | 0 | 0 | 120.3 | ||||
| 188 | Y | 30.5 | Very low | 30 | Very low | 216 Ų | 216 | 146.9 Ų | 146.9 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -66.8 | 152 | 166.9 | -72.3 | -118.7 | 0 | 0 | 0 | 109.8 | ||||
| 189 | D | 27.4 | Very low | 30.1 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | -167.9 | 156.1 | 108.1 | -119 | 2.4 | 0 | 0 | 0 | 114.2 | |||||
| 190 | N | 28.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | trans | 49.1 | 111.7 | 156.3 | -60.6 | -50.4 | 0 | 0 | 0 | 119.8 | ||||
| 191 | T | 29 | Very low | 30 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | 64.4 | 118.7 | 69 | 70.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 192 | Y | 29.2 | Very low | 30 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | 176.4 | 151.5 | 108.4 | -106.8 | -78.2 | 0 | 0 | 0 | 114.5 | |||||
| 193 | N | 32.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 61.6 | 103.8 | 157.5 | -67.9 | -24.3 | 0 | 0 | 0 | 122 | ||||
| 194 | I | 36.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | trans | -62.9 | 168.2 | 139 | -19.2 | 175.5 | 0 | 0 | 0 | 109.4 | ||||
| 195 | P | 34.2 | Very low | 29.9 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | -145.5 | 160.2 | 84.3 | 42.9 | -27.4 | 0 | 0 | 0 | 115.6 | |||||
| 196 | E | 29.6 | Very low | 29.9 | Very low | 153 Ų | 153 | 141 Ų | 141 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | 50.2 | 150.5 | 129.6 | -67.7 | -177.1 | 104.6 | 0 | 0 | 121.8 | |||||
| 197 | N | 30 | Very low | 29.9 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 57% | 0.572 | 71% | 0.711 | S | S | * | * | cis | -158.6 | 168.6 | 4.9 | -109.7 | -30.7 | 0 | 0 | 0 | 106.7 | ||||
| 198 | Q | 32.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | cis | -158.5 | -179.8 | 6 | -135.2 | 152 | 48.7 | 0 | 0 | 109.6 | ||||
| 199 | T | 30.6 | Very low | 30.1 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 71% | 0.709 | S | S | * | * | trans | -128 | -142.5 | 168.6 | 54.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 200 | P | 33.3 | Very low | 30.3 | Very low | 71 Ų | 71 | 137 Ų | 137 | 46% | 0.461 | 72% | 0.717 | S | S | . | * | cis | -147.4 | 177 | 0.1 | 48.9 | -30.5 | 0 | 0 | 0 | 119 | ||||
| 201 | W | 27.8 | Very low | 30.3 | Very low | 234 Ų | 234 | 139 Ų | 139 | 89% | 0.886 | 73% | 0.726 | S | S | * | * | trans | 62.4 | -179 | 154.6 | -46.2 | -37.7 | 0 | 0 | 0 | 117.2 | ||||
| 202 | S | 27.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 141 Ų | 141 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | cis | -151.9 | 138.4 | 5 | -19.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 203 | T | 27.5 | Very low | 30.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | 74.3 | 135.7 | 92.2 | -38.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 204 | Y | 29.4 | Very low | 31 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | 144.3 | 162 | 123.1 | -72.1 | -62.8 | 0 | 0 | 0 | 111.1 | |||||
| 205 | Q | 28.2 | Very low | 30.9 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | cis | -164.6 | 128.7 | -49.6 | -141.8 | -175.6 | -31.4 | 0 | 0 | 113.2 | ||||
| 206 | T | 26.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | 60.6 | 172.7 | 154.7 | 49.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 207 | S | 29.9 | Very low | 31.2 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | cis | -139.6 | -172.7 | 7 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 208 | D | 31 | Very low | 31.4 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | cis | -156.5 | 171 | 38.2 | -76.3 | -47.9 | 0 | 0 | 0 | 114.6 | ||||
| 209 | I | 30 | Very low | 31.6 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -149.6 | 141.3 | -179.1 | -56.8 | 170.5 | 0 | 0 | 0 | 112.4 | ||||
| 210 | V | 31.4 | Very low | 31.8 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -145.6 | 169.3 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 211 | I | 29.7 | Very low | 32 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | -125.6 | 174.9 | -148.2 | -70.1 | 162.2 | 0 | 0 | 0 | 116.5 | ||||
| 212 | I | 37.3 | Very low | 32.3 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -97.1 | 169.1 | -165.7 | -18 | 171.7 | 0 | 0 | 0 | 116.2 | ||||
| 213 | P | 33.2 | Very low | 32.5 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -146.8 | -172.8 | 127.7 | 37.7 | -19.5 | 0 | 0 | 0 | 117.6 | |||||
| 214 | T | 33.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | -130.1 | -163.2 | -164.7 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 215 | I | 35.3 | Very low | 32.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | cis | -164.6 | 169.4 | 23.9 | 5 | 171 | 0 | 0 | 0 | 113.6 | ||||
| 216 | D | 34.4 | Very low | 33.1 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 48.5 | 157 | 149.9 | -51.9 | -25.3 | 0 | 0 | 0 | 124.4 | ||||
| 217 | G | 35.8 | Very low | 33.5 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | 169.2 | 152.7 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 218 | N | 33.4 | Very low | 33.8 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | trans | 63.5 | 153.6 | 163.2 | -81.8 | -14.2 | 0 | 0 | 0 | 121.6 | ||||
| 219 | S | 35.9 | Very low | 33.8 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | cis | -168.1 | 164.9 | 12.8 | 49.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 220 | N | 34.8 | Very low | 33.9 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 57.2 | 121.2 | 147.2 | -60.8 | -10.7 | 0 | 0 | 0 | 125.7 | ||||
| 221 | H | 39.3 | Very low | 33.8 | Very low | 184 Ų | 184 | 141.8 Ų | 141.8 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | 180 | 172 | 98.2 | -129.3 | -92.6 | 0 | 0 | 0 | 114.2 | |||||
| 222 | N | 33.8 | Very low | 34.1 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -129.7 | 157.2 | -171.5 | -84.4 | -33.6 | 0 | 0 | 0 | 115.7 | ||||
| 223 | G | 31 | Very low | 33.8 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 135.2 | 119 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 224 | I | 32.3 | Very low | 34.1 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -146.5 | 154.9 | 159.9 | -61.7 | -173.4 | 0 | 0 | 0 | 109.1 | ||||
| 225 | I | 33 | Very low | 33.9 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 82% | 0.821 | 78% | 0.776 | S | S | * | * | trans | -113.1 | 163.4 | -174.7 | -74.1 | 172.1 | 0 | 0 | 0 | 113.2 | ||||
| 226 | S | 33.5 | Very low | 34.1 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -72.8 | -172.2 | -176.9 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 227 | D | 34.2 | Very low | 34.4 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | -166.9 | -178.8 | 20.8 | -166.6 | 16.9 | 0 | 0 | 0 | 113.3 | ||||
| 228 | Q | 36 | Very low | 34.3 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 82.4 | 156.5 | 155 | -62.3 | 174.8 | 39.6 | 0 | 0 | 121.6 | ||||
| 229 | R | 31.7 | Very low | 34.5 | Very low | 200 Ų | 200 | 142.6 Ų | 142.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -178.4 | 139.5 | -35.9 | -160.8 | 175.7 | -164.7 | 177.1 | 4.4 | 110.9 | ||||
| 230 | S | 32.7 | Very low | 34.8 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | trans | 176.8 | 170 | 149.5 | 37.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 231 | Y | 29 | Very low | 35.4 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | -134.9 | 149.1 | -165.2 | -81.4 | -109.9 | 0 | 0 | 0 | 114 | T233 | Y231-T233 HydrophobicContact CD1-CG2 4.38Š| ||
| 232 | V | 34.6 | Very low | 35.6 | Very low | 144 Ų | 144 | 138 Ų | 138 | 87% | 0.873 | 77% | 0.768 | S | S | * | * | trans | -147.5 | 149.1 | 143.7 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 233 | T | 31.2 | Very low | 35.9 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | -134.2 | -175.8 | -177.4 | 72.8 | 0 | 0 | 0 | 0 | 111.4 | Y231 | Y231-T233 HydrophobicContact CD1-CG2 4.38Š| ||
| 234 | P | 39.4 | Very low | 36.4 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | -129.3 | 162.1 | -119.4 | 34.1 | -12.2 | 0 | 0 | 0 | 117.8 | |||||
| 235 | E | 31.6 | Very low | 37.1 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -148.2 | 145.2 | 163.7 | -98.3 | -143.7 | 117 | 0 | 0 | 115.5 | ||||
| 236 | R | 38.3 | Very low | 37.3 | Very low | 202 Ų | 202 | 132.7 Ų | 132.7 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 64.7 | 101.6 | 153.9 | -62.4 | 178.3 | -161.9 | 179.4 | 16.4 | 122 | ||||
| 237 | V | 41.6 | Very low | 37.4 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | trans | -7.2 | 160.6 | 144.6 | -63.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 238 | P | 33.1 | Very low | 37.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | -122.2 | 138.8 | 124.9 | 35.9 | -31.4 | 0 | 0 | 0 | 113.7 | |||||
| 239 | T | 36.9 | Very low | 37.7 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -101.2 | 145.2 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | S241 | T239-S241 PolarHBondContact O-N 2.96Š| ||
| 240 | C | 42.9 | Very low | 38.1 | Very low | 85 Ų | 85 | 134 Ų | 134 | 57% | 0.574 | 78% | 0.775 | S | S | * | * | trans | -75.7 | 121.1 | -178.7 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | T242 C243 | C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.41Å; C240-T242 PolarHBondContact SG-OG1 3.15Å; C240-T242 VanDerWaalsContact SG-OG1 3.41Å; C240-C243 HydrophobicContact CB-CB 4.41Å; C240-C243 VanDerWaalsContact SG-SG 3.7Å | ||
| 241 | S | 47.7 | Very low | 38.4 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 0.5 | -176.8 | 52.1 | 0 | 0 | 0 | 0 | 115.6 | T239 | T239-S241 PolarHBondContact O-N 2.96Š|
| 242 | T | 43.8 | Very low | 38.7 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 6.4 | -174.7 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | C240 | C240-T242 VanDerWaalsContact C-N 3.3Å; C240-T242 PolarHBondContact O-N 3.41Å; C240-T242 PolarHBondContact SG-OG1 3.15Å; C240-T242 VanDerWaalsContact SG-OG1 3.41Å |
| 243 | C | 39.8 | Very low | 38.8 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 58% | 0.581 | 77% | 0.768 | S | S | * | * | trans | -125.5 | 88.5 | -172.5 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | C240 V245 | C240-C243 HydrophobicContact CB-CB 4.41Å; C240-C243 VanDerWaalsContact SG-SG 3.7Å; C243-V245 PolarHBondContact O-N 2.9Å | ||
| 244 | S | 42.1 | Very low | 38.8 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 92% | 0.923 | 78% | 0.775 | S | S | * | * | trans | -74.5 | 35.2 | 178.9 | -48.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 245 | V | 45.7 | Very low | 38.4 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -131.2 | 95.9 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | C243 | C243-V245 PolarHBondContact O-N 2.9Š| ||
| 246 | S | 38.1 | Very low | 38.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -82.6 | 113.2 | 179.4 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 247 | N | 35.7 | Very low | 37.9 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 127.4 | 171.4 | -68.9 | -37.7 | 0 | 0 | 0 | 111.8 | ||||
| 248 | K | 40.6 | Very low | 37.8 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | 162.1 | 139.7 | 153 | -90.3 | 151.8 | -171.4 | -175.9 | 0 | 108.5 | ||||
| 249 | A | 34.3 | Very low | 37.7 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -157.9 | 148.4 | -15.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 250 | I | 41.8 | Very low | 37.3 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -141.2 | 141.2 | 167.5 | -59.6 | -177 | 0 | 0 | 0 | 107.7 | ||||
| 251 | D | 38.3 | Very low | 37 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -87 | 155.9 | -168.5 | -70.4 | -72.6 | 0 | 0 | 0 | 115.8 | ||||
| 252 | N | 35.7 | Very low | 36.1 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 51.5 | 150 | 144.9 | -67.6 | -41.4 | 0 | 0 | 0 | 121.6 | ||||
| 253 | K | 36.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 150.7 Ų | 150.7 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | cis | -179.1 | 90.5 | -20.7 | 175.4 | -178.2 | 178.3 | -176.7 | 0 | 106.5 | ||||
| 254 | F | 30.2 | Very low | 35.6 | Very low | 192 Ų | 192 | 157.3 Ų | 157.3 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -144.7 | 133.6 | -178.2 | -119.9 | -86 | 0 | 0 | 0 | 115.5 | ||||
| 255 | D | 31.1 | Very low | 35 | Very low | 139 Ų | 139 | 161.6 Ų | 161.6 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 30.3 | 103.6 | 165.2 | -61.4 | -6.8 | 0 | 0 | 0 | 122.3 | ||||
| 256 | F | 29 | Very low | 34.5 | Very low | 191 Ų | 191 | 163.2 Ų | 163.2 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -94 | 103 | 153.5 | -178.5 | -80 | 0 | 0 | 0 | 107.6 | ||||
| 257 | N | 30.5 | Very low | 34.3 | Very low | 145 Ų | 145 | 163.5 Ų | 163.5 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 159.6 | 91 | 153.8 | -84.7 | -27.2 | 0 | 0 | 0 | 113.3 | ||||
| 258 | Q | 40.7 | Very low | 34.5 | Very low | 197 Ų | 197 | 163.9 Ų | 163.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -148.8 | 118.6 | 145.1 | -157.4 | 139.7 | 36.8 | 0 | 0 | 111.2 | ||||
| 259 | C | 29.2 | Very low | 34 | Very low | 72 Ų | 72 | 163 Ų | 163 | 49% | 0.486 | 80% | 0.799 | S | S | . | * | trans | -93.2 | 150.6 | -174.8 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | E262 | C259-E262 PolarHBondContact SG-OE1 3.31Š| ||
| 260 | K | 30.1 | Very low | 33.9 | Very low | 203 Ų | 203 | 163.9 Ų | 163.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -170.2 | 59.8 | 133.4 | -102.8 | 163.5 | -173.1 | -179.8 | 0 | 112.4 | ||||
| 261 | S | 36.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 161.8 Ų | 161.8 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -145.6 | 47 | 164.8 | 75.2 | 0 | 0 | 0 | 0 | 112.2 | Y263 | S261-Y263 VanDerWaalsContact C-N 3.28Å; S261-Y263 PolarHBondContact O-N 3.4Å | ||
| 262 | E | 29.3 | Very low | 33.3 | Very low | 157 Ų | 157 | 162 Ų | 162 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -65.8 | 85.9 | 167.7 | -79.5 | 157.7 | -138.5 | 0 | 0 | 110.2 | C259 | C259-E262 PolarHBondContact SG-OE1 3.31Š| ||
| 263 | Y | 35.6 | Very low | 33.4 | Very low | 228 Ų | 228 | 162.4 Ų | 162.4 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -169.4 | 133 | 142.8 | -93.8 | -61.8 | 0 | 0 | 0 | 108.9 | S261 | S261-Y263 VanDerWaalsContact C-N 3.28Å; S261-Y263 PolarHBondContact O-N 3.4Å |
| 264 | Y | 36.4 | Very low | 33.5 | Very low | 226 Ų | 226 | 157.9 Ų | 157.9 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 71.6 | 48.2 | 169.8 | -135 | -84.4 | 0 | 0 | 0 | 118.3 | ||
| 265 | Y | 30.5 | Very low | 33.8 | Very low | 222 Ų | 222 | 157.6 Ų | 157.6 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | trans | -122.9 | 110.1 | 149.6 | -92.5 | -83.7 | 0 | 0 | 0 | 109.7 | ||||
| 266 | N | 34.9 | Very low | 34 | Very low | 157 Ų | 157 | 158.7 Ų | 158.7 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -148.2 | 134.6 | 168.7 | -101.2 | -36.5 | 0 | 0 | 0 | 111 | ||||
| 267 | T | 32.9 | Very low | 34.4 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 59.4 | 72.1 | 155.4 | -40.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 268 | I | 40.6 | Very low | 34.8 | Very low | 152 Ų | 152 | 156.4 Ų | 156.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -134.8 | 112 | 130 | -55.4 | -177.7 | 0 | 0 | 0 | 108.2 | T270 | I268-T270 WeakPolarHBondContact CG2-OG1 3.25Å; I268-T270 PolarHBondContact O-N 2.93Å | ||
| 269 | Q | 30.3 | Very low | 34.9 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -91.1 | 86 | 173.6 | -68.2 | -177.4 | 3.2 | 0 | 0 | 110.5 | ||||
| 270 | T | 31.9 | Very low | 35.8 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -150.7 | 100.1 | 166.2 | 33.4 | 0 | 0 | 0 | 0 | 112.9 | I268 | I268-T270 WeakPolarHBondContact CG2-OG1 3.25Å; I268-T270 PolarHBondContact O-N 2.93Å | ||
| 271 | E | 35.6 | Very low | 36.6 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | trans | 56.7 | 134.5 | 156.4 | -58.9 | -178.2 | 179.8 | 0 | 0 | 120.3 | K273 | E271-K273 VanDerWaalsContact C-N 3.33Å; E271-K273 HydrophobicContact CB-CD 4.3Å; E271-K273 HydrophobicContact CB-CG 4.43Å; E271-K273 PolarHBondContact O-N 3.09Å; E271-K273 WeakPolarHBondContact OE2-CE 3.39Å; E271-K273 IonicContact OE2-NZ 2.74Å; E271-K273 PolarHBondContact OE2-NZ 2.79Å | ||
| 272 | P | 31.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -77 | 72.2 | -176.2 | 33.2 | -37.1 | 0 | 0 | 0 | 113.3 | S274 | P272-S274 PolarHBondContact O-N 3.45Š| ||
| 273 | K | 38.1 | Very low | 38.8 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | trans | -93.2 | 89.1 | -174.3 | -79.4 | 168.6 | 169.5 | 159 | 0 | 114.1 | E271 | E271-K273 VanDerWaalsContact C-N 3.33Å; E271-K273 HydrophobicContact CB-CD 4.3Å; E271-K273 HydrophobicContact CB-CG 4.43Å; E271-K273 PolarHBondContact O-N 3.09Å; E271-K273 WeakPolarHBondContact OE2-CE 3.39Å; E271-K273 IonicContact OE2-NZ 2.74Å; E271-K273 PolarHBondContact OE2-NZ 2.79Å | ||
| 274 | S | 38.9 | Very low | 40.1 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | 61.9 | 115.3 | 160.6 | -168.2 | 0 | 0 | 0 | 0 | 117.7 | P272 H276 N277 | P272-S274 PolarHBondContact O-N 3.45Å; S274-H276 PolarHBondContact O-N 3.37Å; S274-N277 PolarHBondContact O-ND2 3.23Å | ||
| 275 | I | 37.6 | Very low | 41.1 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 95% | 0.949 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -69.6 | -1.2 | 178.6 | -64.5 | 168.7 | 0 | 0 | 0 | 112.5 | ||
| 276 | H | 35.1 | Very low | 43 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | trans | -106.7 | 43.3 | -174 | -142.9 | -49.4 | 0 | 0 | 0 | 114.8 | S274 K278 | S274-H276 PolarHBondContact O-N 3.37Å; H276-K278 PolarHBondContact O-N 3.42Å | ||
| 277 | N | 36.7 | Very low | 45 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 56% | 0.556 | 68% | 0.679 | S | S | * | * | trans | -70.1 | 68.4 | 178.2 | -92.8 | -58.1 | 0 | 0 | 0 | 114.1 | S274 C279 Q280 | S274-N277 PolarHBondContact O-ND2 3.23Å; N277-C279 PolarHBondContact O-N 3.15Å; N277-C279 VanDerWaalsContact O-N 3.17Å; N277-Q280 PolarHBondContact OD1-NE2 2.73Å | ||
| 278 | K | 38.7 | Very low | 47.3 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 80% | 0.796 | 67% | 0.667 | S | S | * | * | trans | -25 | 111.3 | 157 | 171.1 | -171.5 | 177.8 | -176.7 | 0 | 111.2 | H276 Q280 | H276-K278 PolarHBondContact O-N 3.42Å; K278-Q280 PolarHBondContact O-N 3.04Å | ||
| 279 | C | 42.1 | Very low | 49.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 89% | 0.892 | 64% | 0.644 | S | S | * | * | trans | -35.2 | 89.5 | -166.5 | -51.9 | 0 | 0 | 0 | 0 | 114.4 | N277 | N277-C279 PolarHBondContact O-N 3.15Å; N277-C279 VanDerWaalsContact O-N 3.17Å | ||
| 280 | Q | 48.3 | Very low | 51.9 | Low | 138 Ų | 138 | 120.2 Ų | 120.2 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | trans | -66.4 | 145.8 | 167.1 | -53.7 | -166.6 | 28.3 | 0 | 0 | 106.9 | N277 K278 L282 | N277-Q280 PolarHBondContact OD1-NE2 2.73Å; K278-Q280 PolarHBondContact O-N 3.04Å; Q280-L282 VanDerWaalsContact C-N 3.3Å; Q280-L282 PolarHBondContact O-N 2.59Å | ||
| 281 | K | 47.1 | Very low | 54.6 | Low | 209 Ų | 209 | 115.3 Ų | 115.3 | 91% | 0.909 | 59% | 0.592 | S | S | * | * | trans | -68.2 | 94.3 | 172.1 | -75.8 | -177.3 | 177.3 | -179.5 | 0 | 107.6 | S283 | K281-S283 PolarHBondContact O-N 3.4Š| ||
| 282 | L | 55.7 | Low | 56.7 | Low | 76 Ų | 76 | 112.8 Ų | 112.8 | 40% | 0.398 | 60% | 0.601 | S | S | . | * | trans | -49.7 | 127.3 | 167.6 | -71.2 | 98.5 | 0 | 0 | 0 | 107.4 | Q280 Q286 K287 V301 | Q280-L282 VanDerWaalsContact C-N 3.3Å; Q280-L282 PolarHBondContact O-N 2.59Å; L282-Q286 HydrophobicContact CB-CB 4.01Å; L282-Q286 HydrophobicContact CD2-CB 4.1Å; L282-K287 WeakPolarHBondContact O-CE 3.44Å; L282-K287 PolarHBondContact O-NZ 3.4Å; L282-V301 HydrophobicContact CD2-CG2 4.32Å | ||
| 283 | S | 57.9 | Low | 59 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | trans | -59.4 | 156.6 | -176.7 | 66.3 | 0 | 0 | 0 | 0 | 109.5 | K281 Q285 Q286 | K281-S283 PolarHBondContact O-N 3.4Å; S283-Q285 PolarHBondContact O-N 2.84Å; S283-Q286 WeakPolarHBondContact O-CA 3.14Å; S283-Q286 WeakPolarHBondContact O-CB 3.1Å; S283-Q286 PolarHBondContact O-N 2.82Å | ||
| 284 | D | 61.2 | Low | 60.8 | Low | 97 Ų | 97 | 108 Ų | 108 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -67.2 | -12.3 | -175.3 | -64.1 | -58.5 | 0 | 0 | 0 | 113.3 | K287 R299 | D284-K287 IonicContact OD1-NZ 2.98Å; D284-K287 PolarHBondContact OD1-NZ 3.4Å; D284-R299 PolarHBondContact O-NE 3.24Å; D284-R299 PolarHBondContact O-NH2 2.96Å; D284-R299 VanDerWaalsContact O-NH2 3.11Å |
| 285 | Q | 58.9 | Low | 62.9 | Low | 179 Ų | 179 | 108.6 Ų | 108.6 | 84% | 0.836 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -73.7 | -29.9 | 166.7 | -67.4 | -177.5 | -16.7 | 0 | 0 | 113.5 | S283 K287 | S283-Q285 PolarHBondContact O-N 2.84Å; Q285-K287 PolarHBondContact O-N 3.05Å |
| 286 | Q | 68.7 | Low | 65.1 | Low | 111 Ų | 111 | 100.3 Ų | 100.3 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -79.8 | 10 | 174.1 | -71.2 | 177.9 | -26.2 | 0 | 0 | 113.4 | L282 S283 P288 | L282-Q286 HydrophobicContact CB-CB 4.01Å; L282-Q286 HydrophobicContact CD2-CB 4.1Å; S283-Q286 WeakPolarHBondContact O-CA 3.14Å; S283-Q286 WeakPolarHBondContact O-CB 3.1Å; S283-Q286 PolarHBondContact O-N 2.82Å; Q286-P288 WeakPolarHBondContact O-CD 3.46Å |
| 287 | K | 78.6 | Confident | 67.4 | Low | 41 Ų | 41 | 100 Ų | 100 | 18% | 0.178 | 55% | 0.55 | C | S | . | * | trans | -118.1 | 82.6 | 174.7 | -60.9 | 175.9 | -167.6 | 120.6 | 0 | 109 | L282 D284 Q285 F289 R299 F300 V301 | L282-K287 WeakPolarHBondContact O-CE 3.44Å; L282-K287 PolarHBondContact O-NZ 3.4Å; D284-K287 IonicContact OD1-NZ 2.98Å; D284-K287 PolarHBondContact OD1-NZ 3.4Å; Q285-K287 PolarHBondContact O-N 3.05Å; K287-F289 VanDerWaalsContact C-N 3.31Å; K287-F289 PolarHBondContact O-N 2.87Å; K287-R299 HydrophobicContact CB-CB 3.56Å; K287-R299 HydrophobicContact CD-CB 3.98Å; K287-R299 HydrophobicContact CG-CB 4.43Å; K287-R299 PolarHBondContact O-NE 2.87Å; K287-R299 PolarHBondContact O-NH2 2.78Å; K287-F300 CarbonylContact C-O 3.51Å; K287-F300 VanDerWaalsContact CA-O 3.25Å; K287-F300 WeakPolarHBondContact CA-O 3.35Å; K287-F300 WeakPolarHBondContact CB-O 3.25Å; K287-V301 HydrophobicContact CG-CG2 4.11Å | ||
| 288 | P | 79.8 | Confident | 69.7 | Low | 78 Ų | 78 | 100.4 Ų | 100.4 | 51% | 0.506 | 55% | 0.547 | S | S | . | . | trans | -72.8 | -22.8 | -174.1 | 28.1 | -34 | 0 | 0 | 0 | 113.1 | Q286 | Q286-P288 WeakPolarHBondContact O-CD 3.46Š| ||
| 289 | F | 83.6 | Confident | 72.1 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 29% | 0.285 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 108.1 | -174.9 | -57.1 | -63.1 | 0 | 0 | 0 | 111.1 | K287 R299 F300 V301 I303 L306 | K287-F289 VanDerWaalsContact C-N 3.31Å; K287-F289 PolarHBondContact O-N 2.87Å; F289-R299 CarbonylContact O-C 3.53Å; F289-R299 WeakPolarHBondContact O-CA 3.43Å; F289-F300 HydrophobicContact CB-CB 4.31Å; F289-F300 PolarHBondContact N-O 3.29Å; F289-F300 PolarHBondContact O-N 2.9Å; F289-V301 WeakPolarHBondContact CD2-O 3.35Å; F289-V301 WeakPolarHBondContact CE2-O 3.47Å; F289-I303 HydrophobicContact CD1-CG1 3.81Å; F289-I303 HydrophobicContact CD2-CG1 4.19Å; F289-I303 HydrophobicContact CE1-CD1 3.92Å; F289-I303 HydrophobicContact CE1-CG1 3.38Å; F289-I303 HydrophobicContact CE2-CG1 3.78Å; F289-I303 HydrophobicContact CG-CG1 4.21Å; F289-I303 HydrophobicContact CZ-CD1 3.91Å; F289-I303 HydrophobicContact CZ-CG1 3.37Å; F289-L306 HydrophobicContact CB-CB 4.09Å; F289-L306 HydrophobicContact CB-CD2 3.9Å |
| 290 | I | 84.9 | Confident | 74.3 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.9 | -177.2 | -48.1 | -176 | 0 | 0 | 0 | 109.7 | G292 R299 | I290-G292 PolarHBondContact O-N 3.17Å; I290-R299 HydrophobicContact CG1-CG 4.13Å; I290-R299 HydrophobicContact CG2-CG 4.36Å |
| 291 | C | 87.7 | Confident | 76.2 | Confident | 6 Ų | 6 | 88 Ų | 88 | 4% | 0.041 | 48% | 0.479 | C | S | . | . | trans | -73.6 | 111.3 | 170.3 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | I293 C296 K298 L306 H313 | C291-I293 PolarHBondContact O-N 3.09Å; C291-C296 HydrophobicContact CB-CB 4.41Å; C291-K298 PolarHBondContact N-O 3.3Å; C291-L306 HydrophobicContact CB-CD1 4.17Å; C291-H313 VanDerWaalsContact SG-CD2 3.57Å; C291-H313 PolarHBondContact SG-NE2 2.97Å; C291-H313 VanDerWaalsContact SG-NE2 3.35Å | ||
| 292 | G | 79.9 | Confident | 78 | Confident | 78 Ų | 78 | 85 Ų | 85 | 80% | 0.804 | 46% | 0.462 | S | S | * | . | trans | -74.1 | 37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I290 | I290-G292 PolarHBondContact O-N 3.17Š| ||
| 293 | I | 80.7 | Confident | 79.4 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -119.2 | 126.6 | 178.2 | -72.9 | 169.6 | 0 | 0 | 0 | 107.5 | C291 S295 C296 H313 | C291-I293 PolarHBondContact O-N 3.09Å; I293-S295 WeakPolarHBondContact CG2-OG 3.16Å; I293-S295 PolarHBondContact O-N 2.99Å; I293-C296 PolarHBondContact O-N 3.37Å; I293-H313 HydrophobicContact CD1-CB 3.63Å |
| 294 | S | 74.7 | Confident | 80.7 | Confident | 127 Ų | 127 | 85.3 Ų | 85.3 | 89% | 0.888 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.9 | -170 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 295 | S | 82.3 | Confident | 81.9 | Confident | 100 Ų | 100 | 84 Ų | 84 | 70% | 0.699 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 3.2 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | I293 | I293-S295 WeakPolarHBondContact CG2-OG 3.16Å; I293-S295 PolarHBondContact O-N 2.99Å |
| 296 | C | 85 | Confident | 83.2 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | trans | -141.3 | 88.9 | -169 | -146.7 | 0 | 0 | 0 | 0 | 116.8 | C291 I293 K298 H309 H313 | C291-C296 HydrophobicContact CB-CB 4.41Å; I293-C296 PolarHBondContact O-N 3.37Å; C296-K298 PolarHBondContact O-N 2.74Å; C296-H309 PolarHBondContact SG-NE2 3.24Å; C296-H309 VanDerWaalsContact SG-NE2 3.43Å; C296-H313 WeakPolarHBondContact CB-CE1 3.43Å; C296-H313 WeakPolarHBondContact CB-NE2 3.35Å; C296-H313 PolarHBondContact SG-CE1 3.49Å; C296-H313 PolarHBondContact SG-NE2 2.81Å; C296-H313 VanDerWaalsContact SG-NE2 3.43Å | ||
| 297 | N | 82.7 | Confident | 83.9 | Confident | 156 Ų | 156 | 77.3 Ų | 77.3 | 83% | 0.834 | 42% | 0.416 | S | S | * | . | trans | -73.3 | 34.2 | 175.4 | -59.5 | -19.2 | 0 | 0 | 0 | 114.4 | ||||
| 298 | K | 85 | Confident | 84.1 | Confident | 113 Ų | 113 | 78.7 Ų | 78.7 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | trans | -87.4 | 135.7 | -179.8 | -67.4 | -172 | -160.4 | -56.5 | 0 | 111.5 | C291 C296 F300 | C291-K298 PolarHBondContact N-O 3.3Å; C296-K298 PolarHBondContact O-N 2.74Å; K298-F300 HydrophobicContact CB-CE2 3.68Å; K298-F300 HydrophobicContact CB-CZ 3.77Å; K298-F300 HydrophobicContact CD-CZ 4.23Å | ||
| 299 | R | 89.2 | Confident | 84.4 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 145.7 | 178.2 | -50.4 | -177.7 | 64.2 | 141.3 | -0.7 | 110.4 | D284 K287 F289 I290 | D284-R299 PolarHBondContact O-NE 3.24Å; D284-R299 PolarHBondContact O-NH2 2.96Å; D284-R299 VanDerWaalsContact O-NH2 3.11Å; K287-R299 HydrophobicContact CB-CB 3.56Å; K287-R299 HydrophobicContact CD-CB 3.98Å; K287-R299 HydrophobicContact CG-CB 4.43Å; K287-R299 PolarHBondContact O-NE 2.87Å; K287-R299 PolarHBondContact O-NH2 2.78Å; F289-R299 CarbonylContact O-C 3.53Å; F289-R299 WeakPolarHBondContact O-CA 3.43Å; I290-R299 HydrophobicContact CG1-CG 4.13Å; I290-R299 HydrophobicContact CG2-CG 4.36Å |
| 300 | F | 89.1 | Confident | 84.4 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 17% | 0.167 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 156 | -172.6 | -59.8 | -83.9 | 0 | 0 | 0 | 111.3 | K287 F289 K298 E305 L306 H309 | K287-F300 CarbonylContact C-O 3.51Å; K287-F300 VanDerWaalsContact CA-O 3.25Å; K287-F300 WeakPolarHBondContact CA-O 3.35Å; K287-F300 WeakPolarHBondContact CB-O 3.25Å; F289-F300 HydrophobicContact CB-CB 4.31Å; F289-F300 PolarHBondContact N-O 3.29Å; F289-F300 PolarHBondContact O-N 2.9Å; K298-F300 HydrophobicContact CB-CE2 3.68Å; K298-F300 HydrophobicContact CB-CZ 3.77Å; K298-F300 HydrophobicContact CD-CZ 4.23Å; F300-E305 HydrophobicContact CB-CB 3.92Å; F300-E305 HydrophobicContact CD1-CB 3.7Å; F300-E305 HydrophobicContact CG-CB 4.06Å; F300-L306 HydrophobicContact CB-CB 4.47Å; F300-L306 HydrophobicContact CD2-CB 4.15Å; F300-L306 HydrophobicContact CD2-CD1 4.07Å; F300-L306 HydrophobicContact CE2-CD1 4.31Å; F300-L306 HydrophobicContact CG-CB 4.46Å; F300-H309 HydrophobicContact CE1-CB 4.03Å; F300-H309 HydrophobicContact CE2-CB 3.92Å; F300-H309 AromaticContact CE2-CD2 3.28Å; F300-H309 WeakPolarHBondContact CE2-CD2 3.25Å; F300-H309 AromaticContact CE2-CG 3.75Å; F300-H309 HydrophobicContact CZ-CB 3.48Å; F300-H309 VanDerWaalsContact CZ-CB 3.48Å; F300-H309 AromaticContact CZ-CD2 3.34Å; F300-H309 WeakPolarHBondContact CZ-CD2 3.3Å; F300-H309 AromaticContact CZ-CG 3.35Å |
| 301 | V | 86.7 | Confident | 84.2 | Confident | 62 Ų | 62 | 74.7 Ų | 74.7 | 38% | 0.376 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -85.2 | -29.2 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | L282 K287 F289 E305 | L282-V301 HydrophobicContact CD2-CG2 4.32Å; K287-V301 HydrophobicContact CG-CG2 4.11Å; F289-V301 WeakPolarHBondContact CD2-O 3.35Å; F289-V301 WeakPolarHBondContact CE2-O 3.47Å; V301-E305 PolarHBondContact N-OE2 3.13Å |
| 302 | R | 85.4 | Confident | 83.9 | Confident | 146 Ų | 146 | 78.1 Ų | 78.1 | 55% | 0.551 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -127.1 | 156.6 | -178.8 | -69.8 | 167.2 | 43.4 | 94.7 | -3 | 114.4 | D304 E305 L306 | R302-D304 WeakPolarHBondContact CB-OD1 3.49Å; R302-D304 IonicContact CZ-OD1 3.21Å; R302-D304 IonicContact NE-OD1 3Å; R302-D304 PolarHBondContact NE-OD1 2.98Å; R302-D304 IonicContact NH2-OD1 2.96Å; R302-D304 PolarHBondContact NH2-OD1 2.94Å; R302-D304 IonicContact NH2-OD2 3.49Å; R302-D304 PolarHBondContact NH2-OD2 3.11Å; R302-D304 PolarHBondContact O-N 3.25Å; R302-E305 HydrophobicContact CB-CG 4.15Å; R302-E305 PolarHBondContact N-OE2 3.46Å; R302-E305 VanDerWaalsContact N-OE2 3.09Å; R302-E305 PolarHBondContact O-N 2.67Å; R302-L306 PolarHBondContact O-N 2.8Å |
| 303 | I | 86.2 | Confident | 84 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 177.3 | -59.7 | 174.9 | 0 | 0 | 0 | 111.8 | F289 E305 L306 K307 | F289-I303 HydrophobicContact CD1-CG1 3.81Å; F289-I303 HydrophobicContact CD2-CG1 4.19Å; F289-I303 HydrophobicContact CE1-CD1 3.92Å; F289-I303 HydrophobicContact CE1-CG1 3.38Å; F289-I303 HydrophobicContact CE2-CG1 3.78Å; F289-I303 HydrophobicContact CG-CG1 4.21Å; F289-I303 HydrophobicContact CZ-CD1 3.91Å; F289-I303 HydrophobicContact CZ-CG1 3.37Å; I303-E305 VanDerWaalsContact C-N 3.34Å; I303-E305 PolarHBondContact O-N 3.47Å; I303-L306 PolarHBondContact O-N 3.02Å; I303-K307 HydrophobicContact CG2-CD 4.18Å; I303-K307 HydrophobicContact CG2-CG 4.31Å; I303-K307 WeakPolarHBondContact O-CG 3.43Å; I303-K307 PolarHBondContact O-N 3.16Å |
| 304 | D | 83.9 | Confident | 83.7 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.4 | -34 | 179.7 | 75.9 | -56.8 | 0 | 0 | 0 | 112.2 | R302 R308 | R302-D304 WeakPolarHBondContact CB-OD1 3.49Å; R302-D304 IonicContact CZ-OD1 3.21Å; R302-D304 IonicContact NE-OD1 3Å; R302-D304 PolarHBondContact NE-OD1 2.98Å; R302-D304 IonicContact NH2-OD1 2.96Å; R302-D304 PolarHBondContact NH2-OD1 2.94Å; R302-D304 IonicContact NH2-OD2 3.49Å; R302-D304 PolarHBondContact NH2-OD2 3.11Å; R302-D304 PolarHBondContact O-N 3.25Å; D304-R308 WeakPolarHBondContact O-CB 3.15Å; D304-R308 PolarHBondContact O-N 3.11Å; D304-R308 IonicContact OD2-CZ 3.49Å; D304-R308 IonicContact OD2-NH1 3.4Å; D304-R308 PolarHBondContact OD2-NH1 2.84Å; D304-R308 IonicContact OD2-NH2 2.73Å; D304-R308 PolarHBondContact OD2-NH2 3.15Å |
| 305 | E | 86 | Confident | 83.6 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 172.4 | -60.9 | -179 | 133.2 | 0 | 0 | 111.2 | F300 V301 R302 I303 R308 H309 | F300-E305 HydrophobicContact CB-CB 3.92Å; F300-E305 HydrophobicContact CD1-CB 3.7Å; F300-E305 HydrophobicContact CG-CB 4.06Å; V301-E305 PolarHBondContact N-OE2 3.13Å; R302-E305 HydrophobicContact CB-CG 4.15Å; R302-E305 PolarHBondContact N-OE2 3.46Å; R302-E305 VanDerWaalsContact N-OE2 3.09Å; R302-E305 PolarHBondContact O-N 2.67Å; I303-E305 VanDerWaalsContact C-N 3.34Å; I303-E305 PolarHBondContact O-N 3.47Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-H309 WeakPolarHBondContact O-CB 3.41Å; E305-H309 PolarHBondContact O-N 3.2Å |
| 306 | L | 87.8 | Confident | 83.3 | Confident | 21 Ų | 21 | 73.9 Ų | 73.9 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 174.3 | 173.9 | 60.4 | 0 | 0 | 0 | 111.2 | F289 C291 F300 R302 I303 R308 H309 Q310 | F289-L306 HydrophobicContact CB-CB 4.09Å; F289-L306 HydrophobicContact CB-CD2 3.9Å; C291-L306 HydrophobicContact CB-CD1 4.17Å; F300-L306 HydrophobicContact CB-CB 4.47Å; F300-L306 HydrophobicContact CD2-CB 4.15Å; F300-L306 HydrophobicContact CD2-CD1 4.07Å; F300-L306 HydrophobicContact CE2-CD1 4.31Å; F300-L306 HydrophobicContact CG-CB 4.46Å; R302-L306 PolarHBondContact O-N 2.8Å; I303-L306 PolarHBondContact O-N 3.02Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 3.2Å; L306-H309 CarbonylContact O-C 3.18Å; L306-H309 WeakPolarHBondContact O-CA 3.5Å; L306-H309 WeakPolarHBondContact O-CB 3.42Å; L306-H309 PolarHBondContact O-N 3.29Å; L306-Q310 HydrophobicContact CD1-CG 4.13Å; L306-Q310 HydrophobicContact CG-CG 4.48Å; L306-Q310 WeakPolarHBondContact O-CG 3.44Å; L306-Q310 PolarHBondContact O-N 3.48Å |
| 307 | K | 83.4 | Confident | 83.2 | Confident | 129 Ų | 129 | 79.6 Ų | 79.6 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.5 | -42.3 | 176.6 | -74 | -176.3 | 175.9 | -173.4 | 0 | 111.9 | I303 H309 Q310 R311 | I303-K307 HydrophobicContact CG2-CD 4.18Å; I303-K307 HydrophobicContact CG2-CG 4.31Å; I303-K307 WeakPolarHBondContact O-CG 3.43Å; I303-K307 PolarHBondContact O-N 3.16Å; K307-H309 VanDerWaalsContact C-N 3.28Å; K307-H309 PolarHBondContact O-N 2.91Å; K307-Q310 PolarHBondContact O-N 3.17Å; K307-R311 PolarHBondContact O-N 3.18Å |
| 308 | R | 82.5 | Confident | 83.2 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.6 | -31.5 | 175.1 | -170.4 | -174.6 | -61.2 | 118.4 | 6.8 | 111.9 | D304 E305 L306 R330 | D304-R308 WeakPolarHBondContact O-CB 3.15Å; D304-R308 PolarHBondContact O-N 3.11Å; D304-R308 IonicContact OD2-CZ 3.49Å; D304-R308 IonicContact OD2-NH1 3.4Å; D304-R308 PolarHBondContact OD2-NH1 2.84Å; D304-R308 IonicContact OD2-NH2 2.73Å; D304-R308 PolarHBondContact OD2-NH2 3.15Å; E305-R308 PolarHBondContact O-N 2.8Å; L306-R308 VanDerWaalsContact C-N 3.33Å; L306-R308 PolarHBondContact O-N 3.2Å; R308-R330 HydrophobicContact CG-CG 4.36Å |
| 309 | H | 85.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77.8 | -38 | 174 | 173.4 | 46.7 | 0 | 0 | 0 | 113.4 | C296 F300 E305 L306 K307 R311 T312 H313 | C296-H309 PolarHBondContact SG-NE2 3.24Å; C296-H309 VanDerWaalsContact SG-NE2 3.43Å; F300-H309 HydrophobicContact CE1-CB 4.03Å; F300-H309 HydrophobicContact CE2-CB 3.92Å; F300-H309 AromaticContact CE2-CD2 3.28Å; F300-H309 WeakPolarHBondContact CE2-CD2 3.25Å; F300-H309 AromaticContact CE2-CG 3.75Å; F300-H309 HydrophobicContact CZ-CB 3.48Å; F300-H309 VanDerWaalsContact CZ-CB 3.48Å; F300-H309 AromaticContact CZ-CD2 3.34Å; F300-H309 WeakPolarHBondContact CZ-CD2 3.3Å; F300-H309 AromaticContact CZ-CG 3.35Å; E305-H309 WeakPolarHBondContact O-CB 3.41Å; E305-H309 PolarHBondContact O-N 3.2Å; L306-H309 CarbonylContact O-C 3.18Å; L306-H309 WeakPolarHBondContact O-CA 3.5Å; L306-H309 WeakPolarHBondContact O-CB 3.42Å; L306-H309 PolarHBondContact O-N 3.29Å; K307-H309 VanDerWaalsContact C-N 3.28Å; K307-H309 PolarHBondContact O-N 2.91Å; H309-R311 PolarHBondContact O-N 3.31Å; H309-T312 PolarHBondContact CE1-OG1 2.62Å; H309-T312 PolarHBondContact ND1-OG1 3.39Å; H309-T312 WeakPolarHBondContact O-CA 3.29Å; H309-T312 WeakPolarHBondContact O-CB 3.42Å; H309-T312 PolarHBondContact O-N 2.79Å; H309-T312 PolarHBondContact O-OG1 2.78Å; H309-H313 AromaticContact CD2-NE2 3.99Å; H309-H313 AromaticContact CE1-CD2 3.75Å; H309-H313 AromaticContact CE1-CE1 3.75Å; H309-H313 AromaticContact CE1-NE2 3.07Å; H309-H313 PolarHBondContact CE1-NE2 3.35Å; H309-H313 AromaticContact NE2-CD2 3.75Å; H309-H313 AromaticContact NE2-CE1 3.96Å; H309-H313 AromaticContact NE2-NE2 2.99Å; H309-H313 PolarHBondContact NE2-NE2 3.42Å |
| 310 | Q | 83.2 | Confident | 83.2 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.5 | -36.8 | 177.4 | -74.8 | 167.4 | -51.6 | 0 | 0 | 111.7 | L306 K307 T312 H313 S314 | L306-Q310 HydrophobicContact CD1-CG 4.13Å; L306-Q310 HydrophobicContact CG-CG 4.48Å; L306-Q310 WeakPolarHBondContact O-CG 3.44Å; L306-Q310 PolarHBondContact O-N 3.48Å; K307-Q310 PolarHBondContact O-N 3.17Å; Q310-T312 PolarHBondContact O-N 3.22Å; Q310-T312 VanDerWaalsContact O-N 3.15Å; Q310-H313 PolarHBondContact O-N 3.22Å; Q310-S314 PolarHBondContact O-N 2.99Å |
| 311 | R | 80.5 | Confident | 83.3 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 24% | 0.242 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.2 | -26.7 | 170.2 | -62.6 | 175.9 | -168.6 | 160.6 | 0.3 | 114.2 | K307 H309 G315 | K307-R311 PolarHBondContact O-N 3.18Å; H309-R311 PolarHBondContact O-N 3.31Å; R311-G315 PolarHBondContact O-N 3Å |
| 312 | T | 80.9 | Confident | 83.5 | Confident | 77 Ų | 77 | 71.4 Ų | 71.4 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -77.7 | -18.7 | 178 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | H309 Q310 | H309-T312 PolarHBondContact CE1-OG1 2.62Å; H309-T312 PolarHBondContact ND1-OG1 3.39Å; H309-T312 WeakPolarHBondContact O-CA 3.29Å; H309-T312 WeakPolarHBondContact O-CB 3.42Å; H309-T312 PolarHBondContact O-N 2.79Å; H309-T312 PolarHBondContact O-OG1 2.78Å; Q310-T312 PolarHBondContact O-N 3.22Å; Q310-T312 VanDerWaalsContact O-N 3.15Å |
| 313 | H | 81.9 | Confident | 83.6 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -86.6 | -42.8 | 170.7 | -66.2 | -61.8 | 0 | 0 | 0 | 112 | C291 I293 C296 H309 Q310 G315 | C291-H313 VanDerWaalsContact SG-CD2 3.57Å; C291-H313 PolarHBondContact SG-NE2 2.97Å; C291-H313 VanDerWaalsContact SG-NE2 3.35Å; I293-H313 HydrophobicContact CD1-CB 3.63Å; C296-H313 WeakPolarHBondContact CB-CE1 3.43Å; C296-H313 WeakPolarHBondContact CB-NE2 3.35Å; C296-H313 PolarHBondContact SG-CE1 3.49Å; C296-H313 PolarHBondContact SG-NE2 2.81Å; C296-H313 VanDerWaalsContact SG-NE2 3.43Å; H309-H313 AromaticContact CD2-NE2 3.99Å; H309-H313 AromaticContact CE1-CD2 3.75Å; H309-H313 AromaticContact CE1-CE1 3.75Å; H309-H313 AromaticContact CE1-NE2 3.07Å; H309-H313 PolarHBondContact CE1-NE2 3.35Å; H309-H313 AromaticContact NE2-CD2 3.75Å; H309-H313 AromaticContact NE2-CE1 3.96Å; H309-H313 AromaticContact NE2-NE2 2.99Å; H309-H313 PolarHBondContact NE2-NE2 3.42Å; Q310-H313 PolarHBondContact O-N 3.22Å; H313-G315 PolarHBondContact O-N 3.43Å |
| 314 | S | 74.9 | Confident | 83.8 | Confident | 76 Ų | 76 | 66.9 Ų | 66.9 | 53% | 0.531 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -22.1 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | Q310 I316 | Q310-S314 PolarHBondContact O-N 2.99Å; S314-I316 PolarHBondContact O-N 3.07Å; S314-I316 VanDerWaalsContact OG-CD1 3.25Å; S314-I316 WeakPolarHBondContact OG-CD1 3.46Å; S314-I316 WeakPolarHBondContact OG-CG1 3.08Å |
| 315 | G | 73.5 | Confident | 84 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | trans | 72.7 | -13.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R311 H313 K317 | R311-G315 PolarHBondContact O-N 3Å; H313-G315 PolarHBondContact O-N 3.43Å; G315-K317 PolarHBondContact O-N 3.35Å | ||
| 316 | I | 76.1 | Confident | 84.1 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | trans | -59.5 | 118.3 | -176.3 | -56.9 | 173 | 0 | 0 | 0 | 110.8 | S314 Q318 | S314-I316 PolarHBondContact O-N 3.07Å; S314-I316 VanDerWaalsContact OG-CD1 3.25Å; S314-I316 WeakPolarHBondContact OG-CD1 3.46Å; S314-I316 WeakPolarHBondContact OG-CG1 3.08Å; I316-Q318 HydrophobicContact CG2-CG 3.63Å; I316-Q318 PolarHBondContact O-N 3.43Å | ||
| 317 | K | 83.4 | Confident | 84.2 | Confident | 131 Ų | 131 | 69.9 Ų | 69.9 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | trans | -95.2 | 67.3 | -177.8 | -77.3 | 164.1 | 171.8 | 173.9 | 0 | 111.4 | G315 F319 G327 F328 T329 | G315-K317 PolarHBondContact O-N 3.35Å; K317-F319 PolarHBondContact O-N 3.07Å; K317-G327 VanDerWaalsContact CD-O 3.29Å; K317-G327 WeakPolarHBondContact CD-O 3.45Å; K317-G327 WeakPolarHBondContact CG-O 3.38Å; K317-F328 CarbonylContact C-O 3.52Å; K317-F328 VanDerWaalsContact CA-O 3.3Å; K317-F328 WeakPolarHBondContact CA-O 3.45Å; K317-T329 HydrophobicContact CG-CG2 4.34Å | ||
| 318 | Q | 82.5 | Confident | 84.5 | Confident | 83 Ų | 83 | 66 Ų | 66 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | trans | -59.2 | -19.6 | -174.4 | -60.8 | -177.5 | -48.9 | 0 | 0 | 114.9 | I316 F328 | I316-Q318 HydrophobicContact CG2-CG 3.63Å; I316-Q318 PolarHBondContact O-N 3.43Å; Q318-F328 PolarHBondContact N-O 2.86Å | ||
| 319 | F | 85.8 | Confident | 84.7 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 92.6 | -175 | -58.6 | -82.2 | 0 | 0 | 0 | 110.4 | K317 F328 L334 | K317-F319 PolarHBondContact O-N 3.07Å; F319-F328 HydrophobicContact CB-CB 4.33Å; F319-F328 PolarHBondContact N-O 2.83Å; F319-F328 PolarHBondContact O-N 3.06Å; F319-L334 HydrophobicContact CB-CB 3.94Å; F319-L334 HydrophobicContact CB-CD2 3.85Å |
| 320 | I | 88.2 | Confident | 84.6 | Confident | 91 Ų | 91 | 66.9 Ų | 66.9 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 141 | -176.8 | -57.9 | 176.4 | 0 | 0 | 0 | 110.9 | D322 L334 | I320-D322 PolarHBondContact O-N 3.04Å; I320-L334 WeakPolarHBondContact O-CD2 3.48Å |
| 321 | C | 91.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | trans | -83.3 | 110.5 | 173.5 | -166.9 | 0 | 0 | 0 | 0 | 112 | I323 C324 G325 K326 L334 | C321-I323 PolarHBondContact O-N 2.58Å; C321-I323 VanDerWaalsContact O-N 3.11Å; C321-C324 PolarHBondContact O-N 2.85Å; C321-C324 VanDerWaalsContact O-N 3.16Å; C321-G325 WeakPolarHBondContact O-CA 3.32Å; C321-G325 PolarHBondContact O-N 3.05Å; C321-K326 PolarHBondContact N-O 3.2Å; C321-L334 HydrophobicContact CB-CD1 3.61Å | ||
| 322 | D | 89.2 | Confident | 85 | Confident | 98 Ų | 98 | 64.9 Ų | 64.9 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29 | -47.3 | 159.9 | 53.4 | -19.2 | 0 | 0 | 0 | 115.8 | I320 R338 | I320-D322 PolarHBondContact O-N 3.04Å; D322-R338 IonicContact OD1-NE 3.2Å; D322-R338 PolarHBondContact OD1-NE 3.36Å; D322-R338 VanDerWaalsContact OD1-NE 3.13Å; D322-R338 IonicContact OD2-CZ 3.85Å; D322-R338 VanDerWaalsContact OD2-CZ 3.23Å; D322-R338 IonicContact OD2-NE 3.73Å; D322-R338 PolarHBondContact OD2-NE 3.34Å; D322-R338 IonicContact OD2-NH2 2.79Å; D322-R338 PolarHBondContact OD2-NH2 2.81Å |
| 323 | I | 87.7 | Confident | 85.3 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -19.7 | -171 | -62.4 | 165.9 | 0 | 0 | 0 | 113.3 | C321 H341 | C321-I323 PolarHBondContact O-N 2.58Å; C321-I323 VanDerWaalsContact O-N 3.11Å; I323-H341 HydrophobicContact CB-CB 4.48Å; I323-H341 HydrophobicContact CD1-CB 3.59Å; I323-H341 HydrophobicContact CG2-CB 4.06Å |
| 324 | C | 91.1 | Very high | 85.8 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 34% | 0.338 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.8 | 12.8 | -172.8 | 72.5 | 0 | 0 | 0 | 0 | 116.9 | C321 K326 H337 H341 | C321-C324 PolarHBondContact O-N 2.85Å; C321-C324 VanDerWaalsContact O-N 3.16Å; C324-K326 PolarHBondContact O-N 3.27Å; C324-K326 VanDerWaalsContact SG-CG 3.59Å; C324-H337 PolarHBondContact SG-NE2 3.26Å; C324-H341 PolarHBondContact SG-NE2 3.27Å |
| 325 | G | 88.7 | Confident | 86.3 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | trans | 67.4 | -0.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | C321 G327 | C321-G325 WeakPolarHBondContact O-CA 3.32Å; C321-G325 PolarHBondContact O-N 3.05Å; G325-G327 PolarHBondContact O-N 3.36Å | ||
| 326 | K | 88.4 | Confident | 87 | Confident | 125 Ų | 125 | 61 Ų | 61 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | trans | -70.5 | 115.2 | -176.5 | -71.4 | 178.9 | -174.8 | 174.7 | 0 | 111.1 | C321 C324 F328 | C321-K326 PolarHBondContact N-O 3.2Å; C324-K326 PolarHBondContact O-N 3.27Å; C324-K326 VanDerWaalsContact SG-CG 3.59Å; K326-F328 HydrophobicContact CB-CE2 3.86Å; K326-F328 HydrophobicContact CB-CZ 4.21Å; K326-F328 VanDerWaalsContact O-CD2 3.25Å; K326-F328 WeakPolarHBondContact O-CD2 3.45Å; K326-F328 WeakPolarHBondContact O-CE2 3.41Å | ||
| 327 | G | 89.2 | Confident | 87.7 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 139.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K317 G325 | K317-G327 VanDerWaalsContact CD-O 3.29Å; K317-G327 WeakPolarHBondContact CD-O 3.45Å; K317-G327 WeakPolarHBondContact CG-O 3.38Å; G325-G327 PolarHBondContact O-N 3.36Å |
| 328 | F | 88.9 | Confident | 88 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152 | 178 | -61.1 | -93.2 | 0 | 0 | 0 | 111.4 | K317 Q318 F319 K326 R330 H333 L334 H337 | K317-F328 CarbonylContact C-O 3.52Å; K317-F328 VanDerWaalsContact CA-O 3.3Å; K317-F328 WeakPolarHBondContact CA-O 3.45Å; Q318-F328 PolarHBondContact N-O 2.86Å; F319-F328 HydrophobicContact CB-CB 4.33Å; F319-F328 PolarHBondContact N-O 2.83Å; F319-F328 PolarHBondContact O-N 3.06Å; K326-F328 HydrophobicContact CB-CE2 3.86Å; K326-F328 HydrophobicContact CB-CZ 4.21Å; K326-F328 VanDerWaalsContact O-CD2 3.25Å; K326-F328 WeakPolarHBondContact O-CD2 3.45Å; K326-F328 WeakPolarHBondContact O-CE2 3.41Å; F328-R330 VanDerWaalsContact C-N 3.31Å; F328-H333 HydrophobicContact CB-CB 4.26Å; F328-H333 HydrophobicContact CD1-CB 3.9Å; F328-H333 HydrophobicContact CG-CB 4.36Å; F328-L334 HydrophobicContact CB-CB 4.4Å; F328-L334 HydrophobicContact CD2-CB 4.07Å; F328-L334 HydrophobicContact CD2-CD1 3.95Å; F328-L334 HydrophobicContact CE2-CD1 4.19Å; F328-L334 HydrophobicContact CG-CB 4.39Å; F328-H337 HydrophobicContact CE1-CB 4.14Å; F328-H337 HydrophobicContact CE2-CB 3.97Å; F328-H337 AromaticContact CE2-CD2 3.26Å; F328-H337 WeakPolarHBondContact CE2-CD2 3.26Å; F328-H337 AromaticContact CE2-CG 3.79Å; F328-H337 HydrophobicContact CZ-CB 3.56Å; F328-H337 AromaticContact CZ-CD2 3.32Å; F328-H337 WeakPolarHBondContact CZ-CD2 3.37Å; F328-H337 AromaticContact CZ-CG 3.42Å; F328-H337 VanDerWaalsContact CZ-CG 3.42Å |
| 329 | T | 86.9 | Confident | 88.3 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -83.7 | -3.3 | 178 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | K317 | K317-T329 HydrophobicContact CG-CG2 4.34Š|
| 330 | R | 84 | Confident | 88.4 | Confident | 75 Ų | 75 | 57 Ų | 57 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -148.2 | 140.5 | -175.3 | -68 | 170.8 | 52.2 | 162.7 | -3.8 | 111.7 | R308 F328 D332 H333 L334 | R308-R330 HydrophobicContact CG-CG 4.36Å; F328-R330 VanDerWaalsContact C-N 3.31Å; R330-D332 WeakPolarHBondContact CB-OD1 3.34Å; R330-D332 IonicContact CZ-OD1 2.8Å; R330-D332 IonicContact CZ-OD2 2.58Å; R330-D332 IonicContact NE-OD1 2.78Å; R330-D332 PolarHBondContact NE-OD1 3.44Å; R330-D332 IonicContact NE-OD2 2.68Å; R330-D332 IonicContact NH2-OD1 3.24Å; R330-D332 PolarHBondContact NH2-OD1 3.18Å; R330-D332 IonicContact NH2-OD2 2.78Å; R330-D332 PolarHBondContact NH2-OD2 2.96Å; R330-D332 PolarHBondContact O-N 3.02Å; R330-H333 HydrophobicContact CB-CB 4.28Å; R330-H333 PolarHBondContact NE-CE1 3.21Å; R330-H333 PolarHBondContact O-N 3.15Å; R330-L334 PolarHBondContact O-N 2.82Å |
| 331 | S | 87.6 | Confident | 88.4 | Confident | 21 Ų | 21 | 56 Ų | 56 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 177.8 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | L49 H333 L334 M335 | L49-S331 WeakPolarHBondContact O-CB 3.28Å; L49-S331 PolarHBondContact O-OG 3.13Å; S331-H333 VanDerWaalsContact C-N 3.25Å; S331-H333 PolarHBondContact O-N 3.39Å; S331-L334 PolarHBondContact O-N 2.6Å; S331-L334 VanDerWaalsContact O-N 3.15Å; S331-M335 WeakPolarHBondContact O-CG 3.03Å; S331-M335 PolarHBondContact O-N 2.79Å |
| 332 | D | 84.9 | Confident | 88.3 | Confident | 65 Ų | 65 | 59.9 Ų | 59.9 | 35% | 0.348 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -27.9 | 178.3 | 72.9 | -79.3 | 0 | 0 | 0 | 113.3 | R330 T336 | R330-D332 WeakPolarHBondContact CB-OD1 3.34Å; R330-D332 IonicContact CZ-OD1 2.8Å; R330-D332 IonicContact CZ-OD2 2.58Å; R330-D332 IonicContact NE-OD1 2.78Å; R330-D332 PolarHBondContact NE-OD1 3.44Å; R330-D332 IonicContact NE-OD2 2.68Å; R330-D332 IonicContact NH2-OD1 3.24Å; R330-D332 PolarHBondContact NH2-OD1 3.18Å; R330-D332 IonicContact NH2-OD2 2.78Å; R330-D332 PolarHBondContact NH2-OD2 2.96Å; R330-D332 PolarHBondContact O-N 3.02Å; D332-T336 WeakPolarHBondContact O-CB 3.49Å; D332-T336 WeakPolarHBondContact O-CG2 3.34Å; D332-T336 PolarHBondContact O-N 3.45Å; D332-T336 PolarHBondContact O-OG1 3.39Å |
| 333 | H | 87.8 | Confident | 88.2 | Confident | 67 Ų | 67 | 57 Ų | 57 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.3 | -40.4 | 174.1 | -66.1 | 9 | 0 | 0 | 0 | 110.8 | F328 R330 S331 T336 H337 | F328-H333 HydrophobicContact CB-CB 4.26Å; F328-H333 HydrophobicContact CD1-CB 3.9Å; F328-H333 HydrophobicContact CG-CB 4.36Å; R330-H333 HydrophobicContact CB-CB 4.28Å; R330-H333 PolarHBondContact NE-CE1 3.21Å; R330-H333 PolarHBondContact O-N 3.15Å; S331-H333 VanDerWaalsContact C-N 3.25Å; S331-H333 PolarHBondContact O-N 3.39Å; H333-T336 PolarHBondContact O-OG1 3.03Å; H333-H337 WeakPolarHBondContact O-CB 3.38Å; H333-H337 PolarHBondContact O-N 2.84Å |
| 334 | L | 90.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 170.1 | 174.3 | 61.8 | 0 | 0 | 0 | 111.7 | F319 I320 C321 F328 R330 S331 T336 H337 R338 | F319-L334 HydrophobicContact CB-CB 3.94Å; F319-L334 HydrophobicContact CB-CD2 3.85Å; I320-L334 WeakPolarHBondContact O-CD2 3.48Å; C321-L334 HydrophobicContact CB-CD1 3.61Å; F328-L334 HydrophobicContact CB-CB 4.4Å; F328-L334 HydrophobicContact CD2-CB 4.07Å; F328-L334 HydrophobicContact CD2-CD1 3.95Å; F328-L334 HydrophobicContact CE2-CD1 4.19Å; F328-L334 HydrophobicContact CG-CB 4.39Å; R330-L334 PolarHBondContact O-N 2.82Å; S331-L334 PolarHBondContact O-N 2.6Å; S331-L334 VanDerWaalsContact O-N 3.15Å; L334-T336 PolarHBondContact O-N 3.01Å; L334-H337 CarbonylContact O-C 3.33Å; L334-H337 WeakPolarHBondContact O-CA 3.47Å; L334-H337 WeakPolarHBondContact O-CB 3.31Å; L334-H337 PolarHBondContact O-N 3.03Å; L334-R338 HydrophobicContact CD1-CG 4.06Å; L334-R338 HydrophobicContact CG-CG 4.41Å; L334-R338 PolarHBondContact O-N 3.33Å |
| 335 | M | 87.1 | Confident | 88.1 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | -178.8 | -67.9 | -55.3 | 130.7 | 0 | 0 | 112.6 | S331 H337 R338 R339 | S331-M335 WeakPolarHBondContact O-CG 3.03Å; S331-M335 PolarHBondContact O-N 2.79Å; M335-H337 PolarHBondContact O-N 3.35Å; M335-R338 PolarHBondContact O-N 2.81Å; M335-R339 PolarHBondContact O-N 2.78Å |
| 336 | T | 88.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 18% | 0.184 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.7 | -18.8 | 172.5 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | D332 H333 L334 R358 | D332-T336 WeakPolarHBondContact O-CB 3.49Å; D332-T336 WeakPolarHBondContact O-CG2 3.34Å; D332-T336 PolarHBondContact O-N 3.45Å; D332-T336 PolarHBondContact O-OG1 3.39Å; H333-T336 PolarHBondContact O-OG1 3.03Å; L334-T336 PolarHBondContact O-N 3.01Å; T336-R358 HydrophobicContact CG2-CG 4.1Å; T336-R358 PolarHBondContact OG1-NH1 3.03Å |
| 337 | H | 90 | Very high | 88.1 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -80.5 | -40.5 | 169 | 175.7 | 46.4 | 0 | 0 | 0 | 113.1 | C324 F328 H333 L334 M335 R339 T340 H341 | C324-H337 PolarHBondContact SG-NE2 3.26Å; F328-H337 HydrophobicContact CE1-CB 4.14Å; F328-H337 HydrophobicContact CE2-CB 3.97Å; F328-H337 AromaticContact CE2-CD2 3.26Å; F328-H337 WeakPolarHBondContact CE2-CD2 3.26Å; F328-H337 AromaticContact CE2-CG 3.79Å; F328-H337 HydrophobicContact CZ-CB 3.56Å; F328-H337 AromaticContact CZ-CD2 3.32Å; F328-H337 WeakPolarHBondContact CZ-CD2 3.37Å; F328-H337 AromaticContact CZ-CG 3.42Å; F328-H337 VanDerWaalsContact CZ-CG 3.42Å; H333-H337 WeakPolarHBondContact O-CB 3.38Å; H333-H337 PolarHBondContact O-N 2.84Å; L334-H337 CarbonylContact O-C 3.33Å; L334-H337 WeakPolarHBondContact O-CA 3.47Å; L334-H337 WeakPolarHBondContact O-CB 3.31Å; L334-H337 PolarHBondContact O-N 3.03Å; M335-H337 PolarHBondContact O-N 3.35Å; H337-R339 PolarHBondContact O-N 2.74Å; H337-T340 PolarHBondContact CE1-OG1 3.26Å; H337-T340 PolarHBondContact ND1-OG1 2.75Å; H337-T340 WeakPolarHBondContact O-CA 3.44Å; H337-T340 VanDerWaalsContact O-CB 3.31Å; H337-T340 WeakPolarHBondContact O-CB 3.32Å; H337-T340 PolarHBondContact O-N 3.46Å; H337-T340 PolarHBondContact O-OG1 3.02Å; H337-H341 AromaticContact CE1-CE1 3.99Å; H337-H341 AromaticContact CE1-NE2 3.36Å; H337-H341 PolarHBondContact CE1-NE2 3.11Å; H337-H341 AromaticContact NE2-NE2 3.26Å; H337-H341 PolarHBondContact NE2-NE2 3.44Å |
| 338 | R | 89 | Confident | 88.2 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.6 | -34.1 | 177.6 | -71.1 | 178.5 | 82.4 | -135 | 5.6 | 112.1 | D322 L334 M335 T340 H341 T342 | D322-R338 IonicContact OD1-NE 3.2Å; D322-R338 PolarHBondContact OD1-NE 3.36Å; D322-R338 VanDerWaalsContact OD1-NE 3.13Å; D322-R338 IonicContact OD2-CZ 3.85Å; D322-R338 VanDerWaalsContact OD2-CZ 3.23Å; D322-R338 IonicContact OD2-NE 3.73Å; D322-R338 PolarHBondContact OD2-NE 3.34Å; D322-R338 IonicContact OD2-NH2 2.79Å; D322-R338 PolarHBondContact OD2-NH2 2.81Å; L334-R338 HydrophobicContact CD1-CG 4.06Å; L334-R338 HydrophobicContact CG-CG 4.41Å; L334-R338 PolarHBondContact O-N 3.33Å; M335-R338 PolarHBondContact O-N 2.81Å; R338-T340 PolarHBondContact O-N 2.68Å; R338-T340 VanDerWaalsContact O-N 3.15Å; R338-H341 WeakPolarHBondContact O-CB 3.49Å; R338-H341 PolarHBondContact O-N 3.17Å; R338-T342 PolarHBondContact O-N 3.44Å; R338-T342 VanDerWaalsContact O-N 3.13Å |
| 339 | R | 89.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.9 | -21.5 | 169.4 | -68.8 | -176.6 | -177.3 | 162.1 | 4.2 | 115.2 | M335 H337 T342 G343 E344 Y347 A357 | M335-R339 PolarHBondContact O-N 2.78Å; H337-R339 PolarHBondContact O-N 2.74Å; R339-T342 WeakPolarHBondContact CA-OG1 3.42Å; R339-G343 PolarHBondContact O-N 3.36Å; R339-G343 VanDerWaalsContact O-N 3.16Å; R339-E344 HydrophobicContact CG-CB 4.38Å; R339-E344 PolarHBondContact O-N 3.39Å; R339-Y347 PolarHBondContact NH1-OH 2.8Å; R339-A357 HydrophobicContact CB-CB 4.33Å; R339-A357 WeakPolarHBondContact CD-O 3.4Å; R339-A357 PolarHBondContact NH1-O 2.85Å |
| 340 | T | 89 | Confident | 88.5 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 55% | 0.546 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.7 | -20.5 | 174 | 68 | 0 | 0 | 0 | 0 | 113.2 | H337 R338 | H337-T340 PolarHBondContact CE1-OG1 3.26Å; H337-T340 PolarHBondContact ND1-OG1 2.75Å; H337-T340 WeakPolarHBondContact O-CA 3.44Å; H337-T340 VanDerWaalsContact O-CB 3.31Å; H337-T340 WeakPolarHBondContact O-CB 3.32Å; H337-T340 PolarHBondContact O-N 3.46Å; H337-T340 PolarHBondContact O-OG1 3.02Å; R338-T340 PolarHBondContact O-N 2.68Å; R338-T340 VanDerWaalsContact O-N 3.15Å |
| 341 | H | 88.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 32% | 0.324 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -88.9 | -45.4 | 172.4 | -62 | -63.6 | 0 | 0 | 0 | 111.9 | I323 C324 H337 R338 G343 | I323-H341 HydrophobicContact CB-CB 4.48Å; I323-H341 HydrophobicContact CD1-CB 3.59Å; I323-H341 HydrophobicContact CG2-CB 4.06Å; C324-H341 PolarHBondContact SG-NE2 3.27Å; H337-H341 AromaticContact CE1-CE1 3.99Å; H337-H341 AromaticContact CE1-NE2 3.36Å; H337-H341 PolarHBondContact CE1-NE2 3.11Å; H337-H341 AromaticContact NE2-NE2 3.26Å; H337-H341 PolarHBondContact NE2-NE2 3.44Å; R338-H341 WeakPolarHBondContact O-CB 3.49Å; R338-H341 PolarHBondContact O-N 3.17Å; H341-G343 PolarHBondContact O-N 3.03Å |
| 342 | T | 88 | Confident | 88.9 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.9 | -10 | 178 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | R338 R339 E344 | R338-T342 PolarHBondContact O-N 3.44Å; R338-T342 VanDerWaalsContact O-N 3.13Å; R339-T342 WeakPolarHBondContact CA-OG1 3.42Å; T342-E344 PolarHBondContact O-N 3.06Å; T342-E344 VanDerWaalsContact O-N 3.11Å; T342-E344 WeakPolarHBondContact OG1-CG 3.5Å |
| 343 | G | 87.2 | Confident | 89.1 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | trans | 71 | -1.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R339 H341 R345 | R339-G343 PolarHBondContact O-N 3.36Å; R339-G343 VanDerWaalsContact O-N 3.16Å; H341-G343 PolarHBondContact O-N 3.03Å; G343-R345 PolarHBondContact O-N 3.16Å; G343-R345 PolarHBondContact O-NH1 3.06Å | ||
| 344 | E | 87.5 | Confident | 89.2 | Confident | 89 Ų | 89 | 78.1 Ų | 78.1 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | trans | -55.2 | 129 | -174 | -76.4 | -176.5 | 153.6 | 0 | 0 | 112.8 | R339 T342 A357 | R339-E344 HydrophobicContact CG-CB 4.38Å; R339-E344 PolarHBondContact O-N 3.39Å; T342-E344 PolarHBondContact O-N 3.06Å; T342-E344 VanDerWaalsContact O-N 3.11Å; T342-E344 WeakPolarHBondContact OG1-CG 3.5Å; E344-A357 WeakPolarHBondContact O-CB 3.5Å | ||
| 345 | R | 88.9 | Confident | 89.2 | Confident | 125 Ų | 125 | 83.9 Ų | 83.9 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | trans | -128.9 | 76.2 | 179.2 | -74.6 | 170.2 | 156.9 | 83.3 | -1.1 | 111.3 | G343 Y347 R355 F356 | G343-R345 PolarHBondContact O-N 3.16Å; G343-R345 PolarHBondContact O-NH1 3.06Å; R345-Y347 VanDerWaalsContact C-N 3.31Å; R345-Y347 PolarHBondContact O-N 3.25Å; R345-R355 HydrophobicContact CB-CB 3.59Å; R345-R355 VanDerWaalsContact CD-O 3.25Å; R345-R355 WeakPolarHBondContact CD-O 3.32Å; R345-R355 PolarHBondContact NE-O 3.4Å; R345-R355 PolarHBondContact O-NE 2.7Å; R345-F356 CarbonylContact C-O 3.58Å; R345-F356 VanDerWaalsContact CA-O 3.32Å; R345-F356 WeakPolarHBondContact CA-O 3.39Å | ||
| 346 | P | 88.9 | Confident | 89.3 | Confident | 52 Ų | 52 | 81.5 Ų | 81.5 | 34% | 0.338 | 39% | 0.391 | S | S | . | . | trans | -67 | -28.9 | -177.3 | -21 | 34.3 | 0 | 0 | 0 | 113.6 | E348 | P346-E348 PolarHBondContact O-N 3.18Š| ||
| 347 | Y | 89.7 | Confident | 89.4 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 27% | 0.267 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 93.3 | -169.7 | -49.2 | -78 | 0 | 0 | 0 | 111.8 | R339 R345 F356 A357 | R339-Y347 PolarHBondContact NH1-OH 2.8Å; R345-Y347 VanDerWaalsContact C-N 3.31Å; R345-Y347 PolarHBondContact O-N 3.25Å; Y347-F356 WeakPolarHBondContact CD2-O 3.46Å; Y347-F356 PolarHBondContact N-O 3.47Å; Y347-F356 WeakPolarHBondContact O-CD2 3.48Å; Y347-F356 PolarHBondContact O-N 2.9Å; Y347-A357 WeakPolarHBondContact CE2-O 3.46Å |
| 348 | E | 90.4 | Very high | 89.3 | Confident | 112 Ų | 112 | 84 Ų | 84 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 159.3 | 167.6 | 64.5 | -173.2 | -151 | 0 | 0 | 113.4 | P346 R355 R362 | P346-E348 PolarHBondContact O-N 3.18Å; E348-R355 HydrophobicContact CB-CG 4.22Å; E348-R362 WeakPolarHBondContact O-CD 3.31Å; E348-R362 VanDerWaalsContact O-CG 3.22Å; E348-R362 WeakPolarHBondContact O-CG 3.47Å; E348-R362 PolarHBondContact O-NE 3.41Å |
| 349 | C | 92.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 82.4 Ų | 82.4 | 5% | 0.054 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.2 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | I351 C352 R354 F356 H365 | C349-I351 PolarHBondContact O-N 2.78Å; C349-C352 WeakPolarHBondContact CB-O 3.25Å; C349-C352 PolarHBondContact O-N 3.41Å; C349-R354 PolarHBondContact N-O 3.45Å; C349-R354 VanDerWaalsContact N-O 3.14Å; C349-F356 HydrophobicContact CB-CE2 4.31Å; C349-H365 VanDerWaalsContact SG-CD2 3.55Å |
| 350 | K | 89.1 | Confident | 89.3 | Confident | 193 Ų | 193 | 82.9 Ų | 82.9 | 84% | 0.839 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 15.1 | 179.1 | -60.7 | -161.7 | 172.1 | -158.5 | 0 | 115.6 | ||
| 351 | I | 88.8 | Confident | 89.3 | Confident | 93 Ų | 93 | 82.3 Ų | 82.3 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | -19.1 | -173.5 | -51.3 | 173.1 | 0 | 0 | 0 | 111.2 | C349 H369 | C349-I351 PolarHBondContact O-N 2.78Å; I351-H369 HydrophobicContact CB-CB 4.48Å; I351-H369 HydrophobicContact CD1-CB 3.71Å; I351-H369 HydrophobicContact CG2-CB 3.96Å |
| 352 | C | 91.5 | Very high | 89.5 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 163.2 | 170.1 | 68.1 | 0 | 0 | 0 | 0 | 110.8 | C349 R354 H365 H369 | C349-C352 WeakPolarHBondContact CB-O 3.25Å; C349-C352 PolarHBondContact O-N 3.41Å; C352-R354 PolarHBondContact O-N 3.31Å; C352-H365 PolarHBondContact SG-NE2 2.9Å; C352-H365 VanDerWaalsContact SG-NE2 3.39Å; C352-H369 PolarHBondContact SG-CE1 3.49Å; C352-H369 PolarHBondContact SG-NE2 3.18Å |
| 353 | D | 90 | Very high | 89.7 | Confident | 158 Ų | 158 | 81.4 Ų | 81.4 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 13.4 | -167 | -36.2 | -63.1 | 0 | 0 | 0 | 114.9 | R355 | D353-R355 PolarHBondContact O-N 3.17Å |
| 354 | R | 88.5 | Confident | 89.8 | Confident | 160 Ų | 160 | 86.5 Ų | 86.5 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.1 | 180 | -61.5 | -172.1 | 78.6 | 148.6 | 7.8 | 110.2 | C349 C352 F356 | C349-R354 PolarHBondContact N-O 3.45Å; C349-R354 VanDerWaalsContact N-O 3.14Å; C352-R354 PolarHBondContact O-N 3.31Å; R354-F356 HydrophobicContact CB-CE2 3.76Å; R354-F356 HydrophobicContact CB-CZ 3.83Å; R354-F356 WeakPolarHBondContact O-CD2 3.14Å; R354-F356 WeakPolarHBondContact O-CE2 3.4Å |
| 355 | R | 91.1 | Very high | 89.9 | Confident | 134 Ų | 134 | 83.3 Ų | 83.3 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 144.2 | 176 | -53 | 179.7 | 70.8 | 148.4 | 11 | 111.4 | R345 E348 D353 | R345-R355 HydrophobicContact CB-CB 3.59Å; R345-R355 VanDerWaalsContact CD-O 3.25Å; R345-R355 WeakPolarHBondContact CD-O 3.32Å; R345-R355 PolarHBondContact NE-O 3.4Å; R345-R355 PolarHBondContact O-NE 2.7Å; E348-R355 HydrophobicContact CB-CG 4.22Å; D353-R355 PolarHBondContact O-N 3.17Å |
| 356 | F | 90 | Very high | 89.9 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 150.3 | -174.5 | -60.4 | -85.8 | 0 | 0 | 0 | 111.7 | R345 Y347 C349 R354 R358 E361 R362 H365 | R345-F356 CarbonylContact C-O 3.58Å; R345-F356 VanDerWaalsContact CA-O 3.32Å; R345-F356 WeakPolarHBondContact CA-O 3.39Å; Y347-F356 WeakPolarHBondContact CD2-O 3.46Å; Y347-F356 PolarHBondContact N-O 3.47Å; Y347-F356 WeakPolarHBondContact O-CD2 3.48Å; Y347-F356 PolarHBondContact O-N 2.9Å; C349-F356 HydrophobicContact CB-CE2 4.31Å; R354-F356 HydrophobicContact CB-CE2 3.76Å; R354-F356 HydrophobicContact CB-CZ 3.83Å; R354-F356 WeakPolarHBondContact O-CD2 3.14Å; R354-F356 WeakPolarHBondContact O-CE2 3.4Å; F356-R358 VanDerWaalsContact C-N 3.31Å; F356-E361 HydrophobicContact CB-CB 4.36Å; F356-E361 HydrophobicContact CD1-CB 4.28Å; F356-E361 HydrophobicContact CD1-CG 3.65Å; F356-E361 HydrophobicContact CE1-CG 4.28Å; F356-E361 HydrophobicContact CG-CG 4.39Å; F356-R362 HydrophobicContact CB-CB 4.19Å; F356-R362 HydrophobicContact CD2-CB 3.85Å; F356-R362 HydrophobicContact CD2-CG 4.06Å; F356-R362 HydrophobicContact CG-CB 4.2Å; F356-H365 HydrophobicContact CE1-CB 4.21Å; F356-H365 HydrophobicContact CE2-CB 4.08Å; F356-H365 AromaticContact CE2-CD2 3.27Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.27Å; F356-H365 AromaticContact CE2-CG 3.85Å; F356-H365 HydrophobicContact CZ-CB 3.66Å; F356-H365 AromaticContact CZ-CD2 3.27Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.44Å; F356-H365 AromaticContact CZ-CG 3.43Å; F356-H365 VanDerWaalsContact CZ-CG 3.43Å |
| 357 | A | 89.1 | Confident | 90 | Very high | 13 Ų | 13 | 82.7 Ų | 82.7 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -77.9 | -17.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R339 E344 Y347 | R339-A357 HydrophobicContact CB-CB 4.33Å; R339-A357 WeakPolarHBondContact CD-O 3.4Å; R339-A357 PolarHBondContact NH1-O 2.85Å; E344-A357 WeakPolarHBondContact O-CB 3.5Å; Y347-A357 WeakPolarHBondContact CE2-O 3.46Å |
| 358 | R | 88.3 | Confident | 89.9 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -135.3 | 141.9 | -176.5 | -66.5 | 174.2 | 55 | 114.5 | 2.5 | 112.4 | T336 F356 D360 E361 R362 | T336-R358 HydrophobicContact CG2-CG 4.1Å; T336-R358 PolarHBondContact OG1-NH1 3.03Å; F356-R358 VanDerWaalsContact C-N 3.31Å; R358-D360 IonicContact CZ-OD1 3.23Å; R358-D360 VanDerWaalsContact CZ-OD1 3.24Å; R358-D360 IonicContact NE-OD1 2.67Å; R358-D360 PolarHBondContact NE-OD1 3.14Å; R358-D360 IonicContact NH2-OD1 3.13Å; R358-D360 PolarHBondContact NH2-OD1 3.31Å; R358-D360 PolarHBondContact O-N 3.39Å; R358-E361 HydrophobicContact CB-CB 4.25Å; R358-E361 WeakPolarHBondContact O-CB 3.22Å; R358-E361 PolarHBondContact O-N 2.83Å; R358-R362 PolarHBondContact O-N 3.33Å |
| 359 | S | 89.1 | Confident | 89.7 | Confident | 54 Ų | 54 | 80.4 Ų | 80.4 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | E361 R362 N363 | S359-E361 VanDerWaalsContact C-N 3.29Å; S359-E361 PolarHBondContact O-N 2.82Å; S359-R362 PolarHBondContact O-N 3.34Å; S359-N363 VanDerWaalsContact O-CB 3.31Å; S359-N363 WeakPolarHBondContact O-CB 3.35Å; S359-N363 PolarHBondContact O-N 3.45Å; S359-N363 PolarHBondContact O-ND2 2.84Å |
| 360 | D | 89.1 | Confident | 89.1 | Confident | 51 Ų | 51 | 87 Ų | 87 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 175.3 | 78.2 | -93.1 | 0 | 0 | 0 | 112.5 | R358 N363 R364 | R358-D360 IonicContact CZ-OD1 3.23Å; R358-D360 VanDerWaalsContact CZ-OD1 3.24Å; R358-D360 IonicContact NE-OD1 2.67Å; R358-D360 PolarHBondContact NE-OD1 3.14Å; R358-D360 IonicContact NH2-OD1 3.13Å; R358-D360 PolarHBondContact NH2-OD1 3.31Å; R358-D360 PolarHBondContact O-N 3.39Å; D360-N363 CarbonylContact O-C 3.35Å; D360-N363 PolarHBondContact O-N 3.36Å; D360-R364 WeakPolarHBondContact O-CB 3.4Å; D360-R364 PolarHBondContact O-N 2.78Å; D360-R364 IonicContact OD2-CZ 3.38Å; D360-R364 IonicContact OD2-NH1 3.17Å; D360-R364 PolarHBondContact OD2-NH1 3.42Å; D360-R364 IonicContact OD2-NH2 2.7Å; D360-R364 PolarHBondContact OD2-NH2 3.19Å |
| 361 | E | 89.4 | Confident | 88.1 | Confident | 77 Ų | 77 | 82.9 Ų | 82.9 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.5 | -47 | 177.3 | -165.7 | -173.8 | -172.4 | 0 | 0 | 110.7 | F356 R358 S359 N363 R364 H365 | F356-E361 HydrophobicContact CB-CB 4.36Å; F356-E361 HydrophobicContact CD1-CB 4.28Å; F356-E361 HydrophobicContact CD1-CG 3.65Å; F356-E361 HydrophobicContact CE1-CG 4.28Å; F356-E361 HydrophobicContact CG-CG 4.39Å; R358-E361 HydrophobicContact CB-CB 4.25Å; R358-E361 WeakPolarHBondContact O-CB 3.22Å; R358-E361 PolarHBondContact O-N 2.83Å; S359-E361 VanDerWaalsContact C-N 3.29Å; S359-E361 PolarHBondContact O-N 2.82Å; E361-N363 VanDerWaalsContact C-N 3.27Å; E361-N363 PolarHBondContact O-N 3.45Å; E361-R364 WeakPolarHBondContact O-CA 3.48Å; E361-R364 WeakPolarHBondContact O-CB 3.25Å; E361-R364 PolarHBondContact O-N 3.28Å; E361-H365 PolarHBondContact O-N 3.42Å |
| 362 | R | 93.1 | Very high | 86.7 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 28% | 0.275 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.4 | -42.9 | 169.4 | -173.1 | -96.9 | -83.8 | 161.7 | -7.7 | 111.8 | E348 F356 R358 S359 R364 H365 T366 | E348-R362 WeakPolarHBondContact O-CD 3.31Å; E348-R362 VanDerWaalsContact O-CG 3.22Å; E348-R362 WeakPolarHBondContact O-CG 3.47Å; E348-R362 PolarHBondContact O-NE 3.41Å; F356-R362 HydrophobicContact CB-CB 4.19Å; F356-R362 HydrophobicContact CD2-CB 3.85Å; F356-R362 HydrophobicContact CD2-CG 4.06Å; F356-R362 HydrophobicContact CG-CB 4.2Å; R358-R362 PolarHBondContact O-N 3.33Å; S359-R362 PolarHBondContact O-N 3.34Å; R362-R364 VanDerWaalsContact C-N 3.3Å; R362-R364 PolarHBondContact O-N 3.01Å; R362-H365 PolarHBondContact O-N 2.89Å; R362-T366 PolarHBondContact O-N 2.94Å; R362-T366 PolarHBondContact O-OG1 3.41Å |
| 363 | N | 90.5 | Very high | 85 | Confident | 62 Ų | 62 | 92.2 Ų | 92.2 | 33% | 0.332 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.2 | -18.5 | 176.7 | -73.5 | -20.7 | 0 | 0 | 0 | 114.4 | S359 D360 E361 T366 K367 | S359-N363 VanDerWaalsContact O-CB 3.31Å; S359-N363 WeakPolarHBondContact O-CB 3.35Å; S359-N363 PolarHBondContact O-N 3.45Å; S359-N363 PolarHBondContact O-ND2 2.84Å; D360-N363 CarbonylContact O-C 3.35Å; D360-N363 PolarHBondContact O-N 3.36Å; E361-N363 VanDerWaalsContact C-N 3.27Å; E361-N363 PolarHBondContact O-N 3.45Å; N363-T366 PolarHBondContact O-OG1 2.8Å; N363-K367 VanDerWaalsContact O-CD 3.25Å; N363-K367 WeakPolarHBondContact O-CD 3.47Å; N363-K367 WeakPolarHBondContact O-CE 3.32Å; N363-K367 VanDerWaalsContact O-CG 3.28Å; N363-K367 WeakPolarHBondContact O-CG 3.34Å |
| 364 | R | 89.4 | Confident | 83.3 | Confident | 143 Ų | 143 | 90.5 Ų | 90.5 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -80.3 | -31.7 | 170 | -171.1 | -176.7 | -63.1 | 104.1 | 10.7 | 110.8 | D360 E361 R362 | D360-R364 WeakPolarHBondContact O-CB 3.4Å; D360-R364 PolarHBondContact O-N 2.78Å; D360-R364 IonicContact OD2-CZ 3.38Å; D360-R364 IonicContact OD2-NH1 3.17Å; D360-R364 PolarHBondContact OD2-NH1 3.42Å; D360-R364 IonicContact OD2-NH2 2.7Å; D360-R364 PolarHBondContact OD2-NH2 3.19Å; E361-R364 WeakPolarHBondContact O-CA 3.48Å; E361-R364 WeakPolarHBondContact O-CB 3.25Å; E361-R364 PolarHBondContact O-N 3.28Å; R362-R364 VanDerWaalsContact C-N 3.3Å; R362-R364 PolarHBondContact O-N 3.01Å |
| 365 | H | 91.1 | Very high | 81.7 | Confident | 23 Ų | 23 | 92.5 Ų | 92.5 | 11% | 0.106 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -83.6 | -36 | 178.1 | 172.5 | 54.7 | 0 | 0 | 0 | 114.5 | C349 C352 F356 E361 R362 K367 T368 H369 | C349-H365 VanDerWaalsContact SG-CD2 3.55Å; C352-H365 PolarHBondContact SG-NE2 2.9Å; C352-H365 VanDerWaalsContact SG-NE2 3.39Å; F356-H365 HydrophobicContact CE1-CB 4.21Å; F356-H365 HydrophobicContact CE2-CB 4.08Å; F356-H365 AromaticContact CE2-CD2 3.27Å; F356-H365 WeakPolarHBondContact CE2-CD2 3.27Å; F356-H365 AromaticContact CE2-CG 3.85Å; F356-H365 HydrophobicContact CZ-CB 3.66Å; F356-H365 AromaticContact CZ-CD2 3.27Å; F356-H365 WeakPolarHBondContact CZ-CD2 3.44Å; F356-H365 AromaticContact CZ-CG 3.43Å; F356-H365 VanDerWaalsContact CZ-CG 3.43Å; E361-H365 PolarHBondContact O-N 3.42Å; R362-H365 PolarHBondContact O-N 2.89Å; H365-K367 PolarHBondContact O-N 3.06Å; H365-T368 PolarHBondContact ND1-OG1 3.08Å; H365-T368 VanDerWaalsContact ND1-OG1 3.08Å; H365-T368 WeakPolarHBondContact O-CA 3.28Å; H365-T368 PolarHBondContact O-N 3.22Å; H365-T368 PolarHBondContact O-OG1 3.42Å; H365-H369 AromaticContact CD2-NE2 3.98Å; H365-H369 AromaticContact CE1-CD2 3.88Å; H365-H369 AromaticContact CE1-CE1 3.87Å; H365-H369 AromaticContact CE1-NE2 3.22Å; H365-H369 PolarHBondContact CE1-NE2 3.41Å; H365-H369 AromaticContact NE2-CD2 3.81Å; H365-H369 AromaticContact NE2-CE1 4Å; H365-H369 AromaticContact NE2-NE2 3.06Å; H365-H369 PolarHBondContact NE2-NE2 2.83Å; H365-H369 PolarHBondContact O-N 3.39Å |
| 366 | T | 89.4 | Confident | 79.8 | Confident | 32 Ų | 32 | 98.1 Ų | 98.1 | 20% | 0.196 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.5 | -37.1 | 169.9 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | R362 N363 T368 H369 M370 | R362-T366 PolarHBondContact O-N 2.94Å; R362-T366 PolarHBondContact O-OG1 3.41Å; N363-T366 PolarHBondContact O-OG1 2.8Å; T366-T368 PolarHBondContact O-N 3.14Å; T366-T368 VanDerWaalsContact O-N 3.14Å; T366-H369 PolarHBondContact O-N 2.74Å; T366-M370 WeakPolarHBondContact O-CG 3.34Å; T366-M370 PolarHBondContact O-N 3.46Å |
| 367 | K | 89.4 | Confident | 77.7 | Confident | 131 Ų | 131 | 101 Ų | 101 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.9 | 5.6 | 170 | -62.4 | 174.3 | -171 | 177.8 | 0 | 115.1 | N363 H365 R371 | N363-K367 VanDerWaalsContact O-CD 3.25Å; N363-K367 WeakPolarHBondContact O-CD 3.47Å; N363-K367 WeakPolarHBondContact O-CE 3.32Å; N363-K367 VanDerWaalsContact O-CG 3.28Å; N363-K367 WeakPolarHBondContact O-CG 3.34Å; H365-K367 PolarHBondContact O-N 3.06Å; K367-R371 WeakPolarHBondContact O-CD 3.27Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.24Å; K367-R371 VanDerWaalsContact O-CZ 3.27Å; K367-R371 PolarHBondContact O-NE 3.23Å; K367-R371 PolarHBondContact O-NH2 2.92Å |
| 368 | T | 88.7 | Confident | 76 | Confident | 65 Ų | 65 | 112 Ų | 112 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -102.1 | -27.9 | 165.5 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | H365 T366 | H365-T368 PolarHBondContact ND1-OG1 3.08Å; H365-T368 VanDerWaalsContact ND1-OG1 3.08Å; H365-T368 WeakPolarHBondContact O-CA 3.28Å; H365-T368 PolarHBondContact O-N 3.22Å; H365-T368 PolarHBondContact O-OG1 3.42Å; T366-T368 PolarHBondContact O-N 3.14Å; T366-T368 VanDerWaalsContact O-N 3.14Å |
| 369 | H | 85.6 | Confident | 74.3 | Confident | 67 Ų | 67 | 117.1 Ų | 117.1 | 31% | 0.31 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.5 | -39.8 | 167.7 | -64.9 | -67.1 | 0 | 0 | 0 | 111.1 | I351 C352 H365 T366 R371 | I351-H369 HydrophobicContact CB-CB 4.48Å; I351-H369 HydrophobicContact CD1-CB 3.71Å; I351-H369 HydrophobicContact CG2-CB 3.96Å; C352-H369 PolarHBondContact SG-CE1 3.49Å; C352-H369 PolarHBondContact SG-NE2 3.18Å; H365-H369 AromaticContact CD2-NE2 3.98Å; H365-H369 AromaticContact CE1-CD2 3.88Å; H365-H369 AromaticContact CE1-CE1 3.87Å; H365-H369 AromaticContact CE1-NE2 3.22Å; H365-H369 PolarHBondContact CE1-NE2 3.41Å; H365-H369 AromaticContact NE2-CD2 3.81Å; H365-H369 AromaticContact NE2-CE1 4Å; H365-H369 AromaticContact NE2-NE2 3.06Å; H365-H369 PolarHBondContact NE2-NE2 2.83Å; H365-H369 PolarHBondContact O-N 3.39Å; T366-H369 PolarHBondContact O-N 2.74Å; H369-R371 PolarHBondContact O-N 3.22Å |
| 370 | M | 79.3 | Confident | 72.8 | Confident | 147 Ų | 147 | 119.6 Ų | 119.6 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 39.6 | 177.2 | -44.7 | -128.7 | 84.6 | 0 | 0 | 112.9 | T366 | T366-M370 WeakPolarHBondContact O-CG 3.34Å; T366-M370 PolarHBondContact O-N 3.46Å |
| 371 | R | 68.6 | Low | 71.4 | Confident | 107 Ų | 107 | 128.9 Ų | 128.9 | 40% | 0.404 | 60% | 0.597 | S | S | . | * | trans | -135.2 | 81.3 | -178.9 | -75.4 | -175 | -167.7 | 159.6 | 11.7 | 112.6 | K367 H369 K373 | K367-R371 WeakPolarHBondContact O-CD 3.27Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.24Å; K367-R371 VanDerWaalsContact O-CZ 3.27Å; K367-R371 PolarHBondContact O-NE 3.23Å; K367-R371 PolarHBondContact O-NH2 2.92Å; H369-R371 PolarHBondContact O-N 3.22Å; R371-K373 PolarHBondContact O-N 2.92Å | ||
| 372 | D | 59.2 | Low | 69.3 | Low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -70.1 | 15 | 168.4 | -45.9 | -77.8 | 0 | 0 | 0 | 113.7 | ||
| 373 | K | 55.1 | Low | 67.3 | Low | 171 Ų | 171 | 132.6 Ų | 132.6 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -135.8 | 124.3 | 170.6 | -103.3 | 89.4 | -166.6 | 168.7 | 0 | 110.1 | R371 | R371-K373 PolarHBondContact O-N 2.92Š|
| 374 | P | 55 | Low | 65.1 | Low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 140.3 | 173.8 | 27.5 | -34 | 0 | 0 | 0 | 110.7 | R376 | P374-R376 PolarHBondContact O-N 3.24Š|
| 375 | R | 54.5 | Low | 63.4 | Low | 203 Ų | 203 | 135.7 Ų | 135.7 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.9 | 173.3 | -84.7 | -163.3 | 164.7 | -145.6 | -7.5 | 109.7 | ||
| 376 | R | 52.5 | Low | 61.1 | Low | 252 Ų | 252 | 140.1 Ų | 140.1 | 95% | 0.951 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -49.7 | 140.6 | 177 | -65.2 | -176.9 | 176.5 | -162.1 | -1.8 | 112 | P374 | P374-R376 PolarHBondContact O-N 3.24Š|
| 377 | G | 44.4 | Very low | 58.6 | Low | 82 Ų | 82 | 144.6 Ų | 144.6 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | trans | 90.4 | 16 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 378 | R | 55.1 | Low | 56.5 | Low | 242 Ų | 242 | 143.3 Ų | 143.3 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | -99.5 | 99.2 | 161.3 | -85.1 | -167.4 | 171.4 | -167.6 | -3.8 | 110.9 | ||||
| 379 | K | 50.9 | Low | 54.4 | Low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -57.6 | 131.5 | 164.5 | -108.5 | 179.8 | 175.2 | 179.2 | 0 | 108.7 | ||||
| 380 | P | 58.9 | Low | 52.4 | Low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -65.5 | 145.2 | 167.9 | 28.8 | -33.3 | 0 | 0 | 0 | 109.7 | N382 | P380-N382 PolarHBondContact O-N 3.18Š| ||
| 381 | R | 59.2 | Low | 50.8 | Low | 246 Ų | 246 | 148.6 Ų | 148.6 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | -86.6 | 101.3 | 171.5 | -176.6 | 178.9 | -174.4 | 170.1 | 1.7 | 107.4 | A383 | R381-A383 PolarHBondContact O-N 3.43Š| ||
| 382 | N | 44.8 | Very low | 49.6 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | -59.6 | 120.5 | 173.3 | -75.8 | 10.7 | 0 | 0 | 0 | 109.2 | P380 | P380-N382 PolarHBondContact O-N 3.18Š| ||
| 383 | A | 51.8 | Low | 49 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -113.1 | 100 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | R381 | R381-A383 PolarHBondContact O-N 3.43Š| ||
| 384 | S | 44 | Very low | 48.8 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 126.4 | 178.9 | -52 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 385 | I | 53.1 | Low | 48.4 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -126.3 | 126.3 | 169.6 | -57.5 | -179.2 | 0 | 0 | 0 | 106.8 | ||||
| 386 | P | 43.4 | Very low | 48.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -80.6 | 146.1 | -174.5 | -9.1 | 26.6 | 0 | 0 | 0 | 112.6 | ||||
| 387 | S | 36.6 | Very low | 48.1 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 123.1 | 172.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 388 | S | 45.2 | Very low | 47.9 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -165.3 | 156.1 | 168.4 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 389 | T | 44.9 | Very low | 47.1 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -159.7 | 118.4 | -31 | -74.8 | 0 | 0 | 0 | 0 | 107.8 | L391 | T389-L391 HydrophobicContact CG2-CD1 4.39Š| ||
| 390 | T | 43.3 | Very low | 46.4 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -168.9 | 125.7 | 166.4 | 21.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 391 | L | 46.3 | Very low | 45.3 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | 58.3 | 120.2 | 36.6 | -60.7 | 166.1 | 0 | 0 | 0 | 112.3 | T389 | T389-L391 HydrophobicContact CG2-CD1 4.39Š| ||
| 392 | S | 43.5 | Very low | 44.2 | Very low | 96 Ų | 96 | 123.6 Ų | 123.6 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -167.3 | 169.1 | 1.3 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 393 | S | 47.2 | Very low | 43.7 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 62.5 | 143.7 | 163.2 | 41.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 394 | S | 51 | Low | 42.9 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | cis | -169.2 | 146.4 | -10.4 | 45.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 395 | S | 45.9 | Very low | 42.4 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 32.6 | 134.8 | 149.7 | -124.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 396 | S | 50.1 | Low | 41.8 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | cis | -156.3 | 143.1 | 17.3 | -46 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 397 | K | 50.3 | Low | 41.6 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | 30.3 | 106.6 | 143.7 | -59.5 | -171 | -179.5 | -174.4 | 0 | 118.6 | ||||
| 398 | E | 40.7 | Very low | 41.5 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | 85 | 137.6 | 93.1 | -77.8 | 168.2 | 166 | 0 | 0 | 113.1 | |||||
| 399 | V | 37.8 | Very low | 41.1 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | cis | -133.9 | 133.2 | 18.8 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 400 | V | 37.3 | Very low | 40.8 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 30 | 127.6 | 152.8 | -174.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 401 | V | 35.7 | Very low | 40.5 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | trans | -122.4 | 157.1 | 169.1 | 170.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 402 | S | 35.3 | Very low | 40 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | trans | -53.1 | 148 | -173.9 | -41.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 403 | T | 33.4 | Very low | 39.8 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | 50.8 | 138.3 | 132.2 | 60.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 404 | N | 36.7 | Very low | 39.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 121.8 | 151.1 | 144 | -63 | -36.8 | 0 | 0 | 0 | 118.2 | ||||
| 405 | F | 31.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 140.4 Ų | 140.4 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -86.4 | -175 | -173.8 | -61.1 | -92.6 | 0 | 0 | 0 | 112.6 | ||||
| 406 | P | 41.7 | Very low | 38.4 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | -128.2 | 179 | -56.4 | 36.9 | -22.6 | 0 | 0 | 0 | 111.4 | |||||
| 407 | N | 38 | Very low | 37.8 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | -151.5 | 163.4 | 152.7 | -140.3 | -26.6 | 0 | 0 | 0 | 114.1 | ||||
| 408 | Y | 35.8 | Very low | 37 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -98.8 | 158 | -166.9 | -59.6 | -93.7 | 0 | 0 | 0 | 113.3 | ||||
| 409 | N | 36.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -138.8 | 103.1 | 162.5 | -116.9 | -44.9 | 0 | 0 | 0 | 110 | ||||
| 410 | V | 38.7 | Very low | 36.9 | Very low | 116 Ų | 116 | 140 Ų | 140 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | trans | -126.7 | 117.1 | 167.5 | 177.2 | 0 | 0 | 0 | 0 | 106 | P412 | V410-P412 VanDerWaalsContact O-CD 3.24Å; V410-P412 WeakPolarHBondContact O-CD 3.36Å | ||
| 411 | H | 36.2 | Very low | 36.7 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | -108.7 | 97.4 | -168.2 | -160.1 | -82.9 | 0 | 0 | 0 | 109.8 | Y413 | H411-Y413 AromaticContact CE1-CD2 3.34Å; H411-Y413 WeakPolarHBondContact CE1-CD2 3.31Å; H411-Y413 AromaticContact CE1-CE2 3.5Å; H411-Y413 AromaticContact ND1-CD2 3.52Å | ||
| 412 | P | 37.3 | Very low | 36.5 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | trans | -83.2 | 123.4 | 176.8 | 32.9 | -31.9 | 0 | 0 | 0 | 109.8 | V410 | V410-P412 VanDerWaalsContact O-CD 3.24Å; V410-P412 WeakPolarHBondContact O-CD 3.36Å | ||
| 413 | Y | 37.7 | Very low | 36.3 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -137.6 | 147.5 | 172.3 | -113.7 | -98 | 0 | 0 | 0 | 111 | H411 | H411-Y413 AromaticContact CE1-CD2 3.34Å; H411-Y413 WeakPolarHBondContact CE1-CD2 3.31Å; H411-Y413 AromaticContact CE1-CE2 3.5Å; H411-Y413 AromaticContact ND1-CD2 3.52Å | ||
| 414 | Y | 37.6 | Very low | 36.7 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | 66.9 | 83.7 | 179.3 | -59.1 | -66.9 | 0 | 0 | 0 | 117.1 | M416 | Y414-M416 HydrophobicContact CD1-CE 3.9Š| ||
| 415 | S | 33.9 | Very low | 36.5 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | -48.6 | 147.2 | 128.9 | -48.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 416 | M | 44.3 | Very low | 36.8 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | trans | -138.9 | 145.5 | 164.6 | -81.1 | -74.7 | 113 | 0 | 0 | 108.4 | Y414 | Y414-M416 HydrophobicContact CD1-CE 3.9Š| ||
| 417 | P | 36.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | -67.8 | 170.6 | -179.7 | -17.8 | 32.5 | 0 | 0 | 0 | 113.1 | ||||
| 418 | S | 34 | Very low | 36.4 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -124.9 | 75.4 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 419 | D | 37.2 | Very low | 36.5 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -129.6 | 151.5 | -178.4 | -69.4 | -70.8 | 0 | 0 | 0 | 112 | ||||
| 420 | H | 38.3 | Very low | 36.6 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 57.5 | 92.3 | 172.5 | -83.1 | -89.3 | 0 | 0 | 0 | 119.8 | ||||
| 421 | I | 34.2 | Very low | 36.4 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | 21.4 | 117.2 | 114.4 | -52.1 | 169 | 0 | 0 | 0 | 116.5 | |||||
| 422 | S | 31.6 | Very low | 36.5 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | -173.3 | 142.4 | 128 | -84.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 423 | F | 31.7 | Very low | 36.7 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -66.3 | 135 | 165.3 | -97.3 | -117.4 | 0 | 0 | 0 | 110.7 | ||||
| 424 | M | 40.8 | Very low | 36.7 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | trans | -145.5 | 91.2 | 155.7 | -87.2 | -61.6 | 143.4 | 0 | 0 | 110.5 | ||||
| 425 | H | 33.3 | Very low | 37 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | trans | -62.8 | 133 | 156.9 | -87.9 | -107.7 | 0 | 0 | 0 | 108.7 | ||||
| 426 | R | 37.5 | Very low | 37.2 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -119.4 | 102.7 | 163.4 | -77.9 | -165.2 | 172.4 | -160.4 | -2.4 | 109.8 | ||||
| 427 | N | 31.4 | Very low | 36.8 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -64 | 151.7 | 170.1 | -61.5 | -17.9 | 0 | 0 | 0 | 110.1 | ||||
| 428 | T | 40.7 | Very low | 36.8 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -126.7 | 113.1 | 161 | 50.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 429 | T | 36 | Very low | 37 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -90.4 | 148.2 | -171.7 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 430 | N | 39.7 | Very low | 37 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -162.2 | 117 | 144.7 | -92.2 | -21.2 | 0 | 0 | 0 | 105.4 | ||||
| 431 | N | 34.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | 73.7 | 107.8 | 66.5 | -67.1 | 9.2 | 0 | 0 | 0 | 112 | |||||
| 432 | N | 37.7 | Very low | 37.1 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | -176.9 | 142.3 | 112.1 | -103.1 | 44.4 | 0 | 0 | 0 | 113.7 | |||||
| 433 | D | 42.2 | Very low | 37.5 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 61.8 | 101.6 | 144.3 | -44.1 | -24.2 | 0 | 0 | 0 | 122.9 | ||||
| 434 | I | 36.8 | Very low | 38 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -140.8 | 125.4 | 134.6 | -71.3 | -169.4 | 0 | 0 | 0 | 108.2 | ||||
| 435 | V | 45.6 | Very low | 37.7 | Very low | 215 Ų | 215 | 154.2 Ų | 154.2 | 100% | 1.303 | 81% | 0.811 | S | S | * | * | trans | 60.2 | 0 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 115.8 |
Retrieved 435 of 435 residues in 158.2 ms
(Link to these results)