| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 29.4 | Very low | 243 Ų | 243 | 171.2 Ų | 171.2 | 100% | 1.197 | 81% | 0.808 | S | S | * | * | 0 | 118.5 | 0 | -79 | 170.2 | 175.9 | 0 | 0 | 107.4 | |||||
| 2 | R | 25.7 | Very low | 29.2 | Very low | 243 Ų | 243 | 176.3 Ų | 176.3 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -71.8 | 134.6 | 172.7 | -76.8 | -178.4 | 175.8 | 176.7 | -1.8 | 108.1 | I4 | R2-I4 PolarHBondContact O-N 3.14Š| ||
| 3 | P | 31 | Very low | 29.3 | Very low | 106 Ų | 106 | 172.2 Ų | 172.2 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 133.8 | 175.9 | 25.1 | -30.8 | 0 | 0 | 0 | 109.8 | F5 | P3-F5 PolarHBondContact O-N 3.37Å; P3-F5 VanDerWaalsContact O-N 3.17Å | ||
| 4 | I | 30.2 | Very low | 29.2 | Very low | 153 Ų | 153 | 177 Ų | 177 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -69 | 106.9 | 175 | -63.6 | 170.3 | 0 | 0 | 0 | 106.6 | R2 F6 | R2-I4 PolarHBondContact O-N 3.14Å; I4-F6 PolarHBondContact O-N 3.15Å | ||
| 5 | F | 25.3 | Very low | 29.1 | Very low | 189 Ų | 189 | 171.3 Ų | 171.3 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -73.8 | 115.1 | 170.4 | -103.5 | -98.8 | 0 | 0 | 0 | 108.1 | P3 | P3-F5 PolarHBondContact O-N 3.37Å; P3-F5 VanDerWaalsContact O-N 3.17Å | ||
| 6 | F | 29.3 | Very low | 29 | Very low | 158 Ų | 158 | 168.6 Ų | 168.6 | 69% | 0.693 | 82% | 0.816 | S | S | * | * | trans | -69.9 | 131.5 | 163.4 | -86 | -89.1 | 0 | 0 | 0 | 109 | I4 H8 | I4-F6 PolarHBondContact O-N 3.15Å; F6-H8 PolarHBondContact O-N 2.85Å | ||
| 7 | P | 27.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 164.5 Ų | 164.5 | 68% | 0.682 | 82% | 0.816 | S | S | * | * | trans | -70.1 | 121.5 | 177.2 | -9.1 | 24.3 | 0 | 0 | 0 | 110.2 | E9 | P7-E9 PolarHBondContact O-N 3.32Š| ||
| 8 | H | 26.3 | Very low | 28.9 | Very low | 164 Ų | 164 | 161 Ų | 161 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | -76 | 39.3 | -180 | -124.9 | -78.2 | 0 | 0 | 0 | 112.9 | F6 F11 | F6-H8 PolarHBondContact O-N 2.85Å; H8-F11 AromaticContact ND1-CD2 3.86Å | ||
| 9 | E | 28.2 | Very low | 28.9 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -2.2 | -171.1 | -73.5 | -159.2 | 150.5 | 0 | 0 | 115.8 | P7 F11 | P7-E9 PolarHBondContact O-N 3.32Å; E9-F11 PolarHBondContact O-N 2.74Å |
| 10 | F | 28.8 | Very low | 28.7 | Very low | 200 Ų | 200 | 156.9 Ų | 156.9 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 3.2 | 174.5 | -85.3 | -79.6 | 0 | 0 | 0 | 115.2 | ||
| 11 | F | 29.2 | Very low | 28.3 | Very low | 159 Ų | 159 | 160.3 Ų | 160.3 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | trans | -119.3 | 68.3 | 178.2 | -64.9 | -80.3 | 0 | 0 | 0 | 111.9 | H8 E9 P13 | H8-F11 AromaticContact ND1-CD2 3.86Å; E9-F11 PolarHBondContact O-N 2.74Å; F11-P13 WeakPolarHBondContact O-CD 3.46Å | ||
| 12 | R | 26.8 | Very low | 27.7 | Very low | 233 Ų | 233 | 156.4 Ų | 156.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -93.1 | 110.5 | 153.5 | -81.1 | -165.2 | 179.6 | -170.5 | 3.2 | 109.1 | R14 | R12-R14 PolarHBondContact O-N 3.43Š| ||
| 13 | P | 30.1 | Very low | 27.6 | Very low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.3 | 169 | -9.3 | 24.9 | 0 | 0 | 0 | 108.5 | F11 A15 | F11-P13 WeakPolarHBondContact O-CD 3.46Å; P13-A15 PolarHBondContact O-N 2.97Å |
| 14 | R | 28.5 | Very low | 27.5 | Very low | 240 Ų | 240 | 156.2 Ų | 156.2 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.9 | 170.4 | -153.6 | 173.8 | 179.2 | 176.3 | -0.3 | 108.2 | R12 | R12-R14 PolarHBondContact O-N 3.43Š|
| 15 | A | 27.6 | Very low | 27.6 | Very low | 92 Ų | 92 | 153.6 Ų | 153.6 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -52 | 125.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P13 | P13-A15 PolarHBondContact O-N 2.97Š|
| 16 | P | 28.1 | Very low | 27.8 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 128.4 | -179.5 | 28.9 | -29.7 | 0 | 0 | 0 | 110.6 | ||
| 17 | A | 30.6 | Very low | 27.9 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V19 | A17-V19 PolarHBondContact O-N 2.84Š|
| 18 | A | 24.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 151.6 Ų | 151.6 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 19 | V | 28.4 | Very low | 28.4 | Very low | 150 Ų | 150 | 153 Ų | 153 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -143.4 | 143.8 | 145.7 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | A17 | A17-V19 PolarHBondContact O-N 2.84Š| ||
| 20 | A | 25.9 | Very low | 28.5 | Very low | 89 Ų | 89 | 150.6 Ų | 150.6 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -67.1 | 148.3 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 21 | R | 21.1 | Very low | 28.7 | Very low | 229 Ų | 229 | 149.2 Ų | 149.2 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | 9.8 | 121.3 | 143.3 | -63.5 | 178.3 | 177.6 | 174.4 | -2.1 | 117.1 | ||||
| 22 | D | 27.3 | Very low | 28.8 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | -150.2 | 138.4 | 109.8 | -87.2 | -29.2 | 0 | 0 | 0 | 109.4 | |||||
| 23 | D | 24.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -68.9 | 133.9 | -179 | -65.3 | -58.2 | 0 | 0 | 0 | 111.1 | ||||
| 24 | E | 30.2 | Very low | 29.4 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | 176.5 | 128.5 | 136.8 | -99.1 | 174.8 | -170.3 | 0 | 0 | 112.9 | ||||
| 25 | A | 31.1 | Very low | 30 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 56.6 | 104.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | G27 | A25-G27 VanDerWaalsContact C-N 3.34Å; A25-G27 PolarHBondContact O-N 3.31Å | ||
| 26 | E | 30.5 | Very low | 30.3 | Very low | 206 Ų | 206 | 127 Ų | 127 | 96% | 0.963 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 79.4 | 171.8 | -151.4 | 170.2 | -154.6 | 0 | 0 | 111.8 | ||||
| 27 | G | 31.5 | Very low | 30.7 | Very low | 61 Ų | 61 | 126.3 Ų | 126.3 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | trans | -78.6 | 111.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A25 K29 | A25-G27 VanDerWaalsContact C-N 3.34Å; A25-G27 PolarHBondContact O-N 3.31Å; G27-K29 PolarHBondContact O-N 2.78Å | ||
| 28 | T | 30.6 | Very low | 31 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 87% | 0.871 | 71% | 0.705 | S | S | * | * | trans | -47.2 | 109.4 | 168.5 | 3.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | K | 33.4 | Very low | 31.3 | Very low | 195 Ų | 195 | 129 Ų | 129 | 85% | 0.848 | 70% | 0.7 | S | S | * | * | trans | -60 | 127.2 | 172.9 | -74.6 | -178.9 | 177.7 | 178.7 | 0 | 108.3 | G27 | G27-K29 PolarHBondContact O-N 2.78Š| ||
| 30 | P | 29.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | trans | -65.1 | 144.1 | -179.1 | 24.3 | -30.4 | 0 | 0 | 0 | 110.7 | L32 | P30-L32 PolarHBondContact O-N 2.96Å; P30-L32 VanDerWaalsContact O-N 3.09Å | ||
| 31 | I | 34.2 | Very low | 31.3 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 88% | 0.877 | 70% | 0.696 | S | S | * | * | trans | -63.7 | 107.4 | 169.7 | -61.4 | 170.7 | 0 | 0 | 0 | 106.2 | A33 | I31-A33 PolarHBondContact O-N 3.34Š| ||
| 32 | L | 31.5 | Very low | 31.8 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 68% | 0.684 | S | S | * | * | trans | -57.3 | 132.6 | 176.9 | -73.9 | 158.1 | 0 | 0 | 0 | 109.3 | P30 E36 | P30-L32 PolarHBondContact O-N 2.96Å; P30-L32 VanDerWaalsContact O-N 3.09Å; L32-E36 VanDerWaalsContact CA-OE2 3.3Å; L32-E36 WeakPolarHBondContact CA-OE2 3.03Å; L32-E36 HydrophobicContact CD2-CB 4Å; L32-E36 HydrophobicContact CD2-CG 4.45Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.18Å | ||
| 33 | A | 32.9 | Very low | 31.8 | Very low | 33 Ų | 33 | 124 Ų | 124 | 27% | 0.273 | 68% | 0.678 | S | S | . | * | trans | -72.2 | 149.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I31 H35 E36 | I31-A33 PolarHBondContact O-N 3.34Å; A33-H35 WeakPolarHBondContact CB-CE1 3.39Å; A33-H35 PolarHBondContact O-N 3.06Å; A33-E36 PolarHBondContact N-OE2 2.93Å; A33-E36 PolarHBondContact O-N 3.29Å | ||
| 34 | P | 36.3 | Very low | 32 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 62% | 0.617 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -52.4 | -23.4 | -173.8 | -29.4 | 34.8 | 0 | 0 | 0 | 115.2 | L37 F38 | P34-L37 WeakPolarHBondContact O-CB 3.36Å; P34-F38 WeakPolarHBondContact O-CD2 3.49Å; P34-F38 WeakPolarHBondContact O-CE2 3.32Å |
| 35 | H | 39.5 | Very low | 32.2 | Very low | 44 Ų | 44 | 116.9 Ų | 116.9 | 20% | 0.204 | 67% | 0.673 | C | S | . | * | G | 310 helix | trans | -80.7 | -21.8 | 179.9 | 62.5 | -93.1 | 0 | 0 | 0 | 115.5 | A33 L37 F38 L289 | A33-H35 WeakPolarHBondContact CB-CE1 3.39Å; A33-H35 PolarHBondContact O-N 3.06Å; H35-L37 PolarHBondContact O-N 3.09Å; H35-F38 PolarHBondContact O-N 3.2Å; H35-L289 HydrophobicContact CB-CD1 3.21Å; H35-L289 HydrophobicContact CB-CG 4.34Å |
| 36 | E | 33.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 45% | 0.449 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -72.5 | -13.2 | 174.9 | -63.4 | 176.2 | 126.8 | 0 | 0 | 111.6 | L32 A33 | L32-E36 VanDerWaalsContact CA-OE2 3.3Å; L32-E36 WeakPolarHBondContact CA-OE2 3.03Å; L32-E36 HydrophobicContact CD2-CB 4Å; L32-E36 HydrophobicContact CD2-CG 4.45Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.18Å; A33-E36 PolarHBondContact N-OE2 2.93Å; A33-E36 PolarHBondContact O-N 3.29Å |
| 37 | L | 38.4 | Very low | 32.1 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 60% | 0.597 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -77.5 | -16.9 | 171.9 | -62.7 | 169.4 | 0 | 0 | 0 | 113.4 | P34 H35 | P34-L37 WeakPolarHBondContact O-CB 3.36Å; H35-L37 PolarHBondContact O-N 3.09Å |
| 38 | F | 36.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 43% | 0.43 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | -95.2 | 3.7 | -174.5 | -57.5 | -58.5 | 0 | 0 | 0 | 114.2 | P34 H35 H40 Y83 | P34-F38 WeakPolarHBondContact O-CD2 3.49Å; P34-F38 WeakPolarHBondContact O-CE2 3.32Å; H35-F38 PolarHBondContact O-N 3.2Å; F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 3.27Å; F38-H40 VanDerWaalsContact O-N 3.16Å; F38-Y83 WeakPolarHBondContact CD1-OH 3.2Å; F38-Y83 VanDerWaalsContact CE1-OH 3.23Å; F38-Y83 WeakPolarHBondContact CE1-OH 3.33Å |
| 39 | H | 29.7 | Very low | 32.1 | Very low | 158 Ų | 158 | 109.9 Ų | 109.9 | 73% | 0.731 | 65% | 0.647 | S | S | * | * | trans | -87.6 | 63.6 | 173.7 | -71.6 | -68.3 | 0 | 0 | 0 | 111.6 | ||||
| 40 | H | 29.4 | Very low | 32 | Very low | 149 Ų | 149 | 107 Ų | 107 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | trans | -109.4 | 117.2 | 159.8 | -76.4 | -67.8 | 0 | 0 | 0 | 108.9 | F38 A42 | F38-H40 VanDerWaalsContact C-N 3.29Å; F38-H40 PolarHBondContact O-N 3.27Å; F38-H40 VanDerWaalsContact O-N 3.16Å; H40-A42 PolarHBondContact O-N 2.81Å | ||
| 41 | E | 26.1 | Very low | 32.2 | Very low | 188 Ų | 188 | 106.4 Ų | 106.4 | 88% | 0.879 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 128.6 | 158.8 | -75.9 | -177.4 | 154.9 | 0 | 0 | 107.5 | P43 | E41-P43 WeakPolarHBondContact O-CD 3.29Å; E41-P43 VanDerWaalsContact O-N 3.13Å |
| 42 | A | 30.6 | Very low | 31.9 | Very low | 73 Ų | 73 | 108.9 Ų | 108.9 | 60% | 0.603 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | H40 A44 | H40-A42 PolarHBondContact O-N 2.81Å; A42-A44 PolarHBondContact O-N 3.38Å |
| 43 | P | 27.2 | Very low | 32 | Very low | 114 Ų | 114 | 110.6 Ų | 110.6 | 74% | 0.74 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.9 | 178.9 | 21.1 | -29.2 | 0 | 0 | 0 | 108.2 | E41 A45 | E41-P43 WeakPolarHBondContact O-CD 3.29Å; E41-P43 VanDerWaalsContact O-N 3.13Å; P43-A45 PolarHBondContact O-N 3.12Å |
| 44 | A | 28.4 | Very low | 32.3 | Very low | 97 Ų | 97 | 117.1 Ų | 117.1 | 80% | 0.802 | 67% | 0.672 | S | S | * | * | trans | -45.9 | 118.4 | 175 | 0 | 0 | 0 | 0 | 0 | 108 | A42 A46 | A42-A44 PolarHBondContact O-N 3.38Å; A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.9Å | ||
| 45 | A | 34.4 | Very low | 32.7 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -29.2 | 92.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P43 A47 | P43-A45 PolarHBondContact O-N 3.12Å; A45-A47 PolarHBondContact O-N 3.48Å | ||
| 46 | A | 29.8 | Very low | 33.5 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 105.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 102.3 | A44 A48 | A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.9Å; A46-A48 PolarHBondContact O-N 3.19Å | ||
| 47 | A | 30.5 | Very low | 35.1 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | trans | -35.8 | 111.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | A45 T49 | A45-A47 PolarHBondContact O-N 3.48Å; A47-T49 PolarHBondContact O-N 2.94Å | ||
| 48 | A | 34.6 | Very low | 36.6 | Very low | 67 Ų | 67 | 120 Ų | 120 | 55% | 0.554 | 68% | 0.682 | S | S | * | * | trans | -50.2 | 99.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | A46 V50 | A46-A48 PolarHBondContact O-N 3.19Å; A48-V50 VanDerWaalsContact C-N 3.31Å; A48-V50 PolarHBondContact O-N 2.82Å | ||
| 49 | T | 27.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 119 Ų | 119 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 110 | 174.6 | 0.6 | 0 | 0 | 0 | 0 | 101.5 | A47 V51 | A47-T49 PolarHBondContact O-N 2.94Å; T49-V51 WeakPolarHBondContact O-CG2 3.33Å; T49-V51 PolarHBondContact O-N 2.68Å | ||
| 50 | V | 32 | Very low | 40.7 | Very low | 135 Ų | 135 | 115 Ų | 115 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -57.8 | 92.6 | 167.5 | 178.2 | 0 | 0 | 0 | 0 | 104 | A48 R52 | A48-V50 VanDerWaalsContact C-N 3.31Å; A48-V50 PolarHBondContact O-N 2.82Å; V50-R52 PolarHBondContact O-N 3.39Å | ||
| 51 | V | 32.6 | Very low | 42.9 | Very low | 97 Ų | 97 | 109.4 Ų | 109.4 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | trans | -60.4 | 108.3 | 177.9 | 176.3 | 0 | 0 | 0 | 0 | 103.9 | T49 | T49-V51 WeakPolarHBondContact O-CG2 3.33Å; T49-V51 PolarHBondContact O-N 2.68Å | ||
| 52 | R | 27.5 | Very low | 45.4 | Very low | 223 Ų | 223 | 101.2 Ų | 101.2 | 84% | 0.842 | 61% | 0.605 | S | S | * | * | trans | -59.8 | 140.7 | 174.4 | -73.6 | 178.7 | 160.7 | 132.5 | -3.1 | 108 | V50 E54 | V50-R52 PolarHBondContact O-N 3.39Å; R52-E54 PolarHBondContact O-N 2.8Å | ||
| 53 | D | 35.2 | Very low | 47.6 | Very low | 148 Ų | 148 | 100 Ų | 100 | 79% | 0.791 | 60% | 0.599 | S | S | * | * | trans | -54.2 | 90.4 | -179.7 | -59.8 | -50.5 | 0 | 0 | 0 | 111.3 | ||||
| 54 | E | 38.3 | Very low | 49.3 | Very low | 170 Ų | 170 | 100.4 Ų | 100.4 | 79% | 0.794 | 59% | 0.594 | S | S | * | * | trans | -90.7 | 132.3 | 147.1 | -69.8 | -176.2 | 163.7 | 0 | 0 | 105.5 | R52 S56 | R52-E54 PolarHBondContact O-N 2.8Å; E54-S56 PolarHBondContact O-N 2.83Å | ||
| 55 | E | 44.4 | Very low | 51 | Low | 206 Ų | 206 | 101.9 Ų | 101.9 | 96% | 0.963 | 59% | 0.592 | S | S | * | * | trans | -40.1 | 100.3 | -178.6 | -78.8 | 173.4 | 145.9 | 0 | 0 | 110.6 | ||||
| 56 | S | 55.7 | Low | 52.5 | Low | 34 Ų | 34 | 99.6 Ų | 99.6 | 24% | 0.238 | 58% | 0.578 | C | S | . | * | trans | -92.6 | 125.2 | 176 | 56.3 | 0 | 0 | 0 | 0 | 108.7 | E54 E58 R140 N141 | E54-S56 PolarHBondContact O-N 2.83Å; S56-E58 PolarHBondContact O-N 2.71Å; S56-R140 PolarHBondContact OG-NE 3.47Å; S56-N141 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 57 | D | 68.1 | Low | 54.8 | Low | 122 Ų | 122 | 97.4 Ų | 97.4 | 65% | 0.652 | 55% | 0.554 | S | S | * | * | trans | -63.7 | 115 | 170.1 | -68.8 | -40.5 | 0 | 0 | 0 | 108.9 | N141 | D57-N141 PolarHBondContact O-N 3.43Š| ||
| 58 | E | 69.3 | Low | 57.1 | Low | 49 Ų | 49 | 98.1 Ų | 98.1 | 23% | 0.229 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.8 | 176.2 | -68.6 | -174.4 | 175.2 | 0 | 0 | 110.2 | S56 E68 M69 R139 R140 | S56-E58 PolarHBondContact O-N 2.71Å; E58-E68 VanDerWaalsContact OE2-CA 3.32Å; E58-E68 WeakPolarHBondContact OE2-CA 3.37Å; E58-M69 WeakPolarHBondContact OE1-CB 3.36Å; E58-M69 WeakPolarHBondContact OE1-CG 3.3Å; E58-M69 PolarHBondContact OE2-N 3.18Å; E58-R139 WeakPolarHBondContact CA-O 3.32Å; E58-R140 HydrophobicContact CG-CB 4.5Å; E58-R140 HydrophobicContact CG-CG 4.38Å |
| 59 | E | 76.1 | Confident | 59.3 | Low | 75 Ų | 75 | 96.7 Ų | 96.7 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.5 | 178.2 | -169.9 | -176.1 | 162.3 | 0 | 0 | 110.1 | R112 F138 R139 | E59-R112 IonicContact OE1-NH1 2.64Å; E59-R112 PolarHBondContact OE1-NH1 2.71Å; E59-R112 IonicContact OE2-CZ 3.96Å; E59-R112 IonicContact OE2-NH1 3.34Å; E59-R112 PolarHBondContact OE2-NH1 3.02Å; E59-R112 VanDerWaalsContact OE2-NH1 3.12Å; E59-R112 IonicContact OE2-NH2 2.76Å; E59-R112 PolarHBondContact OE2-NH2 2.92Å; E59-F138 CarbonylContact O-C 3.53Å; E59-F138 VanDerWaalsContact O-CA 3.24Å; E59-F138 WeakPolarHBondContact O-CA 3.23Å; E59-F138 WeakPolarHBondContact O-CB 3.48Å; E59-R139 PolarHBondContact N-O 3.32Å; E59-R139 PolarHBondContact O-N 2.83Å; E59-R139 IonicContact OE1-NH2 3.8Å; E59-R139 PolarHBondContact OE1-NH2 2.77Å; E59-R139 IonicContact OE2-CZ 2.82Å; E59-R139 IonicContact OE2-NE 3.66Å; E59-R139 IonicContact OE2-NH2 3.82Å; E59-R139 PolarHBondContact OE2-NH2 3.2Å |
| 60 | P | 76.4 | Confident | 62 | Low | 76 Ų | 76 | 93.4 Ų | 93.4 | 49% | 0.494 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 134.8 | 178.4 | 28.9 | -33.7 | 0 | 0 | 0 | 111.4 | ||
| 61 | I | 77.5 | Confident | 64.7 | Low | 30 Ų | 30 | 87.5 Ų | 87.5 | 15% | 0.154 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -42.6 | 177.5 | -53.3 | 164.1 | 0 | 0 | 0 | 110.9 | D115 A119 M137 R139 | I61-D115 HydrophobicContact CD1-CB 4.03Å; I61-A119 HydrophobicContact CG2-CB 3.54Å; I61-M137 WeakPolarHBondContact CA-O 3.43Å; I61-M137 HydrophobicContact CB-CE 3.84Å; I61-M137 HydrophobicContact CD1-CE 4.11Å; I61-M137 HydrophobicContact CD1-CG 4.4Å; I61-M137 HydrophobicContact CG2-CE 3.51Å; I61-M137 PolarHBondContact N-O 2.88Å; I61-R139 HydrophobicContact CD1-CB 3.91Å; I61-R139 HydrophobicContact CG1-CB 4.47Å |
| 62 | V | 78.3 | Confident | 67.4 | Low | 17 Ų | 17 | 83.4 Ų | 83.4 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145.2 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | A119 R123 A136 M137 | V62-A119 HydrophobicContact CG2-CB 3.51Å; V62-R123 HydrophobicContact CG1-CG 4.39Å; V62-R123 HydrophobicContact CG2-CG 4.31Å; V62-A136 CarbonylContact O-C 3.6Å; V62-A136 WeakPolarHBondContact O-CA 3.31Å; V62-M137 HydrophobicContact CB-CB 3.99Å; V62-M137 HydrophobicContact CG2-CB 4.43Å; V62-M137 HydrophobicContact CG2-CE 4.02Å; V62-M137 PolarHBondContact N-O 2.65Å; V62-M137 PolarHBondContact O-N 2.88Å |
| 63 | G | 75.1 | Confident | 70.5 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.5 | -158.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V65 H135 | G63-V65 PolarHBondContact O-N 2.83Å; G63-H135 WeakPolarHBondContact CA-O 3.19Å |
| 64 | I | 64.7 | Low | 73.2 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | trans | -71.4 | 120.6 | -171.9 | -57.4 | 173.9 | 0 | 0 | 0 | 110 | G66 L67 | I64-G66 PolarHBondContact O-N 3.38Å; I64-L67 PolarHBondContact O-N 3.28Å | ||
| 65 | V | 62.3 | Low | 75.8 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 78% | 0.776 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 130.1 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | G63 | G63-V65 PolarHBondContact O-N 2.83Š|
| 66 | G | 67.8 | Low | 78.1 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 11.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I64 | I64-G66 PolarHBondContact O-N 3.38Š|
| 67 | L | 77.2 | Confident | 79.9 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 22% | 0.22 | 37% | 0.371 | C | S | . | . | trans | -86.8 | 120.4 | 165.2 | -167.9 | 76.6 | 0 | 0 | 0 | 108.8 | I64 F72 L91 A136 V148 | I64-L67 PolarHBondContact O-N 3.28Å; L67-F72 HydrophobicContact CD1-CE2 4.16Å; L67-F72 HydrophobicContact CD1-CZ 4.05Å; L67-F72 HydrophobicContact CD2-CE2 3.94Å; L67-F72 HydrophobicContact CD2-CZ 3.72Å; L67-F72 HydrophobicContact CG-CE2 3.82Å; L67-F72 HydrophobicContact CG-CZ 3.97Å; L67-L91 HydrophobicContact CD1-CD1 3.95Å; L67-A136 HydrophobicContact CD2-CB 3.59Å; L67-V148 HydrophobicContact CD2-CG2 4.46Å | ||
| 68 | E | 79.7 | Confident | 81 | Confident | 99 Ų | 99 | 61 Ų | 61 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | trans | -117.2 | 162.3 | -176.6 | -66.7 | 174 | -172.6 | 0 | 0 | 111.3 | E58 S70 D71 F72 | E58-E68 VanDerWaalsContact OE2-CA 3.32Å; E58-E68 WeakPolarHBondContact OE2-CA 3.37Å; E68-S70 WeakPolarHBondContact CB-OG 3.13Å; E68-S70 PolarHBondContact O-N 3.1Å; E68-S70 PolarHBondContact OE2-OG 3.4Å; E68-S70 VanDerWaalsContact OE2-OG 3.12Å; E68-D71 PolarHBondContact N-OD2 2.94Å; E68-D71 VanDerWaalsContact O-CB 3.32Å; E68-D71 WeakPolarHBondContact O-CB 3.37Å; E68-D71 PolarHBondContact O-N 2.76Å; E68-D71 VanDerWaalsContact O-N 3.09Å; E68-F72 VanDerWaalsContact O-CD2 3.29Å; E68-F72 WeakPolarHBondContact O-CD2 3.04Å | ||
| 69 | M | 80 | Confident | 81.9 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 19% | 0.187 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -57.7 | -35.3 | 172 | -76.4 | -69.9 | -67.2 | 0 | 0 | 112.9 | E58 D71 F72 L102 F138 V146 | E58-M69 WeakPolarHBondContact OE1-CB 3.36Å; E58-M69 WeakPolarHBondContact OE1-CG 3.3Å; E58-M69 PolarHBondContact OE2-N 3.18Å; M69-D71 PolarHBondContact O-N 3.43Å; M69-F72 PolarHBondContact O-N 2.82Å; M69-L102 HydrophobicContact CE-CD2 3.59Å; M69-L102 HydrophobicContact SD-CD1 3.89Å; M69-L102 HydrophobicContact SD-CD2 3.94Å; M69-L102 HydrophobicContact SD-CG 4.47Å; M69-F138 HydrophobicContact CG-CD2 4.37Å; M69-F138 HydrophobicContact CG-CE2 3.28Å; M69-F138 HydrophobicContact CG-CZ 3.62Å; M69-F138 HydrophobicContact SD-CE2 3.5Å; M69-F138 VanDerWaalsContact SD-CE2 3.5Å; M69-F138 HydrophobicContact SD-CZ 3.37Å; M69-F138 WeakPolarHBondContact SD-CZ 3.47Å; M69-V146 HydrophobicContact SD-CG1 3.69Å |
| 70 | S | 84.7 | Confident | 82.4 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -58 | -29.2 | 178.8 | 69 | 0 | 0 | 0 | 0 | 111.8 | E68 F72 R92 | E68-S70 WeakPolarHBondContact CB-OG 3.13Å; E68-S70 PolarHBondContact O-N 3.1Å; E68-S70 PolarHBondContact OE2-OG 3.4Å; E68-S70 VanDerWaalsContact OE2-OG 3.12Å; S70-F72 PolarHBondContact O-N 2.94Å; S70-R92 WeakPolarHBondContact O-CD 3.48Å; S70-R92 PolarHBondContact O-NE 2.92Å |
| 71 | D | 87.9 | Confident | 82.7 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 6% | 0.059 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -69.8 | -16.1 | 176.5 | -69.7 | -49.2 | 0 | 0 | 0 | 113 | E68 M69 L91 R92 R93 | E68-D71 PolarHBondContact N-OD2 2.94Å; E68-D71 VanDerWaalsContact O-CB 3.32Å; E68-D71 WeakPolarHBondContact O-CB 3.37Å; E68-D71 PolarHBondContact O-N 2.76Å; E68-D71 VanDerWaalsContact O-N 3.09Å; M69-D71 PolarHBondContact O-N 3.43Å; D71-L91 HydrophobicContact CB-CD1 3.82Å; D71-L91 CarbonylContact O-C 3.45Å; D71-R92 WeakPolarHBondContact O-CB 3.43Å; D71-R92 WeakPolarHBondContact O-CG 3.44Å; D71-R92 PolarHBondContact O-N 2.8Å; D71-R93 IonicContact OD1-CZ 3.18Å; D71-R93 IonicContact OD1-NE 2.85Å; D71-R93 PolarHBondContact OD1-NE 3.26Å; D71-R93 IonicContact OD1-NH2 2.74Å; D71-R93 PolarHBondContact OD1-NH2 2.84Å; D71-R93 IonicContact OD2-NH2 3.56Å |
| 72 | F | 89.9 | Confident | 82.8 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 4% | 0.044 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.9 | -179.8 | -64 | -82.6 | 0 | 0 | 0 | 112.1 | L67 E68 M69 S70 A89 R90 L91 R92 F100 V148 | L67-F72 HydrophobicContact CD1-CE2 4.16Å; L67-F72 HydrophobicContact CD1-CZ 4.05Å; L67-F72 HydrophobicContact CD2-CE2 3.94Å; L67-F72 HydrophobicContact CD2-CZ 3.72Å; L67-F72 HydrophobicContact CG-CE2 3.82Å; L67-F72 HydrophobicContact CG-CZ 3.97Å; E68-F72 VanDerWaalsContact O-CD2 3.29Å; E68-F72 WeakPolarHBondContact O-CD2 3.04Å; M69-F72 PolarHBondContact O-N 2.82Å; S70-F72 PolarHBondContact O-N 2.94Å; F72-A89 HydrophobicContact CB-CB 4.22Å; F72-A89 HydrophobicContact CD1-CB 4.11Å; F72-R90 WeakPolarHBondContact CA-O 3.34Å; F72-L91 HydrophobicContact CD1-CD1 4.42Å; F72-L91 HydrophobicContact CE1-CD1 4.08Å; F72-L91 HydrophobicContact CZ-CD1 4.24Å; F72-R92 PolarHBondContact O-NE 2.85Å; F72-F100 HydrophobicContact CD1-CD2 4.41Å; F72-F100 HydrophobicContact CE1-CB 4.33Å; F72-F100 AromaticContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CE2 4.32Å; F72-F100 HydrophobicContact CE1-CG 4.13Å; F72-V148 HydrophobicContact CE1-CG1 3.93Å; F72-V148 HydrophobicContact CE1-CG2 4.49Å; F72-V148 HydrophobicContact CE2-CG2 3.83Å; F72-V148 HydrophobicContact CZ-CB 4.34Å; F72-V148 HydrophobicContact CZ-CG1 3.7Å; F72-V148 HydrophobicContact CZ-CG2 3.7Å |
| 73 | Q | 92 | Very high | 83 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 114.6 | 163.9 | -177.6 | -177.3 | 23.7 | 0 | 0 | 108.2 | I75 A89 R90 R92 | Q73-I75 HydrophobicContact CG-CG2 4.15Å; Q73-I75 PolarHBondContact O-N 2.89Å; Q73-A89 CarbonylContact O-C 3.52Å; Q73-A89 WeakPolarHBondContact O-CA 3.45Å; Q73-R90 PolarHBondContact N-O 2.81Å; Q73-R90 PolarHBondContact O-N 2.87Å; Q73-R92 HydrophobicContact CB-CG 4.17Å |
| 74 | V | 92 | Very high | 83.7 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 126 | 169.2 | 175.1 | 0 | 0 | 0 | 0 | 108.8 | Y87 L102 | V74-Y87 HydrophobicContact CG1-CD1 3.89Å; V74-Y87 HydrophobicContact CG1-CG 4.01Å; V74-L102 HydrophobicContact CG2-CD2 4.39Å |
| 75 | I | 92.5 | Very high | 85 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -9.2 | -177 | 56.9 | 166.6 | 0 | 0 | 0 | 113.3 | Q73 K88 R90 | Q73-I75 HydrophobicContact CG-CG2 4.15Å; Q73-I75 PolarHBondContact O-N 2.89Å; I75-K88 HydrophobicContact CD1-CD 3.96Å; I75-K88 HydrophobicContact CD1-CG 3.83Å; I75-K88 HydrophobicContact CG1-CB 3.99Å; I75-K88 HydrophobicContact CG1-CD 4.23Å; I75-K88 HydrophobicContact CG1-CG 3.85Å; I75-K88 WeakPolarHBondContact CG1-O 3.22Å; I75-K88 PolarHBondContact N-O 3.04Å; I75-R90 HydrophobicContact CD1-CB 4.44Å; I75-R90 HydrophobicContact CG2-CB 4.31Å |
| 76 | G | 92.4 | Very high | 86.5 | Confident | 30 Ų | 30 | 52 Ų | 52 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 170.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y87 K88 | G76-Y87 CarbonylContact O-C 3.42Å; G76-Y87 WeakPolarHBondContact O-CA 3.26Å; G76-K88 PolarHBondContact N-O 3.35Å; G76-K88 PolarHBondContact O-N 2.64Å |
| 77 | E | 93.3 | Very high | 87.8 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132.6 | 171.2 | -171.1 | -178.8 | 135.7 | 0 | 0 | 109.5 | V85 Y87 | E77-V85 HydrophobicContact CG-CG2 4Å; E77-Y87 HydrophobicContact CB-CD1 4.23Å; E77-Y87 HydrophobicContact CB-CE1 4.33Å; E77-Y87 HydrophobicContact CG-CD1 4.38Å; E77-Y87 HydrophobicContact CG-CE1 4.29Å |
| 78 | L | 92 | Very high | 88.7 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 29% | 0.293 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -30.9 | 175.5 | -65.2 | 173 | 0 | 0 | 0 | 111.6 | V86 K88 A101 | L78-V86 HydrophobicContact CB-CB 4.44Å; L78-V86 HydrophobicContact CB-CG1 4.32Å; L78-V86 HydrophobicContact CD1-CG1 4.11Å; L78-V86 PolarHBondContact N-O 3.36Å; L78-K88 HydrophobicContact CD1-CB 4.13Å; L78-K88 HydrophobicContact CD2-CB 3.86Å; L78-K88 HydrophobicContact CD2-CD 4.26Å; L78-K88 HydrophobicContact CD2-CG 4.24Å; L78-K88 HydrophobicContact CG-CB 3.85Å; L78-A101 HydrophobicContact CD1-CB 3.96Å |
| 79 | G | 88.5 | Confident | 89.3 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 171.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V86 | G79-V86 PolarHBondContact N-O 2.85Å; G79-V86 PolarHBondContact O-N 2.79Å |
| 80 | G | 85.9 | Confident | 89.9 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 49% | 0.485 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N84 | G80-N84 WeakPolarHBondContact CA-O 3.29Å |
| 81 | G | 82.1 | Confident | 90.1 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | trans | -104.3 | -158 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N84 Y106 | G81-N84 PolarHBondContact N-O 2.63Å; G81-Y106 WeakPolarHBondContact O-CE2 3.32Å | ||
| 82 | L | 79.6 | Confident | 90.1 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -71.8 | -37.2 | 176.7 | -176.3 | 59.7 | 0 | 0 | 0 | 112.5 | Y107 | L82-Y107 PolarHBondContact O-OH 3.02Š|
| 83 | Y | 83.4 | Confident | 89.8 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 37% | 0.365 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -109.5 | -25.1 | -169 | -58.8 | -63.9 | 0 | 0 | 0 | 113.8 | F38 P105 Y106 Y107 L109 | F38-Y83 WeakPolarHBondContact CD1-OH 3.2Å; F38-Y83 VanDerWaalsContact CE1-OH 3.23Å; F38-Y83 WeakPolarHBondContact CE1-OH 3.33Å; Y83-P105 WeakPolarHBondContact O-CA 3.39Å; Y83-Y106 VanDerWaalsContact C-CD2 3.47Å; Y83-Y106 PolarHBondContact O-N 2.75Å; Y83-Y107 AromaticContact CD1-CE2 3.8Å; Y83-Y107 HydrophobicContact CD1-CE2 3.8Å; Y83-Y107 AromaticContact CD1-CZ 3.82Å; Y83-Y107 WeakPolarHBondContact CD1-OH 3.44Å; Y83-Y107 HydrophobicContact CE1-CE2 4.46Å; Y83-L109 HydrophobicContact CD1-CD2 3.87Å; Y83-L109 HydrophobicContact CG-CD2 4.17Å |
| 84 | N | 89.2 | Confident | 89 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.5 | -168.8 | -63.9 | -80.8 | 0 | 0 | 0 | 111.6 | G80 G81 K103 T104 P105 Y106 L109 | G80-N84 WeakPolarHBondContact CA-O 3.29Å; G81-N84 PolarHBondContact N-O 2.63Å; N84-K103 HydrophobicContact CB-CG 4.01Å; N84-K103 VanDerWaalsContact CG-CE 3.46Å; N84-K103 VanDerWaalsContact ND2-CE 3.29Å; N84-K103 WeakPolarHBondContact ND2-CE 3.45Å; N84-T104 CarbonylContact C-O 3.57Å; N84-T104 VanDerWaalsContact CA-O 3.29Å; N84-T104 WeakPolarHBondContact CA-O 3.42Å; N84-P105 VanDerWaalsContact OD1-CA 3.25Å; N84-P105 WeakPolarHBondContact OD1-CA 3.45Å; N84-Y106 WeakPolarHBondContact O-CE2 3.3Å; N84-L109 WeakPolarHBondContact OD1-CD1 3.28Å |
| 85 | V | 92.5 | Very high | 87.6 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.2 | 163.5 | 57.6 | 0 | 0 | 0 | 0 | 109.1 | E77 Y87 T104 Y106 | E77-V85 HydrophobicContact CG-CG2 4Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE2 3.38Å; V85-Y87 HydrophobicContact CG2-CD1 4.35Å; V85-Y87 HydrophobicContact CG2-CD2 4.44Å; V85-Y87 HydrophobicContact CG2-CE1 3.77Å; V85-Y87 HydrophobicContact CG2-CE2 3.9Å; V85-T104 WeakPolarHBondContact CG1-O 3.46Å; V85-T104 PolarHBondContact N-O 2.89Å; V85-T104 PolarHBondContact O-N 2.75Å; V85-T104 VanDerWaalsContact O-O 3.13Å; V85-Y106 HydrophobicContact CB-CE1 3.82Å; V85-Y106 HydrophobicContact CG1-CD1 4.48Å; V85-Y106 HydrophobicContact CG1-CE1 4.08Å |
| 86 | V | 94.9 | Very high | 86.2 | Confident | 43 Ų | 43 | 68 Ų | 68 | 26% | 0.261 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.2 | 177.6 | -171.5 | 0 | 0 | 0 | 0 | 108.9 | L78 G79 A101 L102 K103 | L78-V86 HydrophobicContact CB-CB 4.44Å; L78-V86 HydrophobicContact CB-CG1 4.32Å; L78-V86 HydrophobicContact CD1-CG1 4.11Å; L78-V86 PolarHBondContact N-O 3.36Å; G79-V86 PolarHBondContact N-O 2.85Å; G79-V86 PolarHBondContact O-N 2.79Å; V86-A101 HydrophobicContact CG1-CB 3.98Å; V86-L102 WeakPolarHBondContact CA-O 3.21Å; V86-K103 HydrophobicContact CG2-CB 4.42Å; V86-K103 HydrophobicContact CG2-CG 4.35Å |
| 87 | Y | 94.7 | Very high | 85.1 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 18% | 0.18 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 144.9 | 177.9 | -63.7 | -69.4 | 0 | 0 | 0 | 111.7 | V74 G76 E77 V85 A101 L102 | V74-Y87 HydrophobicContact CG1-CD1 3.89Å; V74-Y87 HydrophobicContact CG1-CG 4.01Å; G76-Y87 CarbonylContact O-C 3.42Å; G76-Y87 WeakPolarHBondContact O-CA 3.26Å; E77-Y87 HydrophobicContact CB-CD1 4.23Å; E77-Y87 HydrophobicContact CB-CE1 4.33Å; E77-Y87 HydrophobicContact CG-CD1 4.38Å; E77-Y87 HydrophobicContact CG-CE1 4.29Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE2 3.38Å; V85-Y87 HydrophobicContact CG2-CD1 4.35Å; V85-Y87 HydrophobicContact CG2-CD2 4.44Å; V85-Y87 HydrophobicContact CG2-CE1 3.77Å; V85-Y87 HydrophobicContact CG2-CE2 3.9Å; Y87-A101 CarbonylContact O-C 3.53Å; Y87-A101 WeakPolarHBondContact O-CA 3.49Å; Y87-L102 PolarHBondContact N-O 2.84Å; Y87-L102 PolarHBondContact O-N 3.17Å |
| 88 | K | 94.6 | Very high | 84.6 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120.7 | 162.3 | -162.9 | 178.4 | -175.4 | 170.6 | 0 | 106.8 | I75 G76 L78 V99 D366 | I75-K88 HydrophobicContact CD1-CD 3.96Å; I75-K88 HydrophobicContact CD1-CG 3.83Å; I75-K88 HydrophobicContact CG1-CB 3.99Å; I75-K88 HydrophobicContact CG1-CD 4.23Å; I75-K88 HydrophobicContact CG1-CG 3.85Å; I75-K88 WeakPolarHBondContact CG1-O 3.22Å; I75-K88 PolarHBondContact N-O 3.04Å; G76-K88 PolarHBondContact N-O 3.35Å; G76-K88 PolarHBondContact O-N 2.64Å; L78-K88 HydrophobicContact CD1-CB 4.13Å; L78-K88 HydrophobicContact CD2-CB 3.86Å; L78-K88 HydrophobicContact CD2-CD 4.26Å; L78-K88 HydrophobicContact CD2-CG 4.24Å; L78-K88 HydrophobicContact CG-CB 3.85Å; K88-V99 HydrophobicContact CD-CG1 4.38Å; K88-V99 HydrophobicContact CG-CG1 3.72Å; K88-D366 IonicContact NZ-OD1 2.71Å; K88-D366 PolarHBondContact NZ-OD1 2.8Å |
| 89 | A | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | F72 Q73 V99 F100 L102 | F72-A89 HydrophobicContact CB-CB 4.22Å; F72-A89 HydrophobicContact CD1-CB 4.11Å; Q73-A89 CarbonylContact O-C 3.52Å; Q73-A89 WeakPolarHBondContact O-CA 3.45Å; A89-V99 CarbonylContact O-C 3.55Å; A89-V99 VanDerWaalsContact O-CA 3.31Å; A89-V99 WeakPolarHBondContact O-CA 3.24Å; A89-F100 PolarHBondContact N-O 2.7Å; A89-F100 PolarHBondContact O-N 2.87Å; A89-L102 HydrophobicContact CB-CB 4.14Å |
| 90 | R | 91.6 | Very high | 84.9 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.7 | 176.7 | -167 | -168.8 | -34.1 | -165.5 | 6.2 | 109.9 | F72 Q73 I75 R92 G98 | F72-R90 WeakPolarHBondContact CA-O 3.34Å; Q73-R90 PolarHBondContact N-O 2.81Å; Q73-R90 PolarHBondContact O-N 2.87Å; I75-R90 HydrophobicContact CD1-CB 4.44Å; I75-R90 HydrophobicContact CG2-CB 4.31Å; R90-R92 PolarHBondContact O-N 2.85Å; R90-G98 WeakPolarHBondContact CA-O 3.36Å |
| 91 | L | 89.5 | Confident | 85.3 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 121.6 | 172.8 | -166.2 | 72.2 | 0 | 0 | 0 | 110.3 | L67 D71 F72 R93 C94 G98 F100 | L67-L91 HydrophobicContact CD1-CD1 3.95Å; D71-L91 HydrophobicContact CB-CD1 3.82Å; D71-L91 CarbonylContact O-C 3.45Å; F72-L91 HydrophobicContact CD1-CD1 4.42Å; F72-L91 HydrophobicContact CE1-CD1 4.08Å; F72-L91 HydrophobicContact CZ-CD1 4.24Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.03Å; L91-C94 HydrophobicContact CD2-CB 4.25Å; L91-C94 CarbonylContact O-C 3.39Å; L91-C94 PolarHBondContact O-N 2.88Å; L91-C94 VanDerWaalsContact O-N 3.14Å; L91-G98 PolarHBondContact N-O 2.82Å; L91-F100 HydrophobicContact CB-CE2 4.09Å |
| 92 | R | 87.7 | Confident | 85.9 | Confident | 145 Ų | 145 | 60.4 Ų | 60.4 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -37.1 | -177.9 | -68.8 | 178.6 | -174.2 | -87.6 | 0.9 | 112.6 | S70 D71 F72 Q73 R90 C94 | S70-R92 WeakPolarHBondContact O-CD 3.48Å; S70-R92 PolarHBondContact O-NE 2.92Å; D71-R92 WeakPolarHBondContact O-CB 3.43Å; D71-R92 WeakPolarHBondContact O-CG 3.44Å; D71-R92 PolarHBondContact O-N 2.8Å; F72-R92 PolarHBondContact O-NE 2.85Å; Q73-R92 HydrophobicContact CB-CG 4.17Å; R90-R92 PolarHBondContact O-N 2.85Å; R92-C94 PolarHBondContact O-N 3.38Å |
| 93 | R | 83.8 | Confident | 86.6 | Confident | 179 Ų | 179 | 58 Ų | 58 | 68% | 0.675 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -15.7 | -179.1 | -55.9 | -175.4 | -164 | -168.2 | 6 | 113.2 | D71 L91 | D71-R93 IonicContact OD1-CZ 3.18Å; D71-R93 IonicContact OD1-NE 2.85Å; D71-R93 PolarHBondContact OD1-NE 3.26Å; D71-R93 IonicContact OD1-NH2 2.74Å; D71-R93 PolarHBondContact OD1-NH2 2.84Å; D71-R93 IonicContact OD2-NH2 3.56Å; L91-R93 VanDerWaalsContact C-N 3.28Å; L91-R93 PolarHBondContact O-N 3.03Å |
| 94 | C | 76.3 | Confident | 86.9 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | trans | -127.6 | 76.2 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 111 | L91 R92 H96 G97 | L91-C94 HydrophobicContact CD2-CB 4.25Å; L91-C94 CarbonylContact O-C 3.39Å; L91-C94 PolarHBondContact O-N 2.88Å; L91-C94 VanDerWaalsContact O-N 3.14Å; R92-C94 PolarHBondContact O-N 3.38Å; C94-H96 PolarHBondContact O-N 3.12Å; C94-H96 VanDerWaalsContact O-N 3.15Å; C94-G97 WeakPolarHBondContact CB-O 3.43Å; C94-G97 CarbonylContact O-C 3.52Å; C94-G97 PolarHBondContact O-N 3.41Å | ||
| 95 | P | 61.6 | Low | 86.9 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 49% | 0.494 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.7 | -173.2 | -22 | 31.9 | 0 | 0 | 0 | 114.5 | ||
| 96 | H | 63.7 | Low | 86.4 | Confident | 196 Ų | 196 | 59.6 Ų | 59.6 | 91% | 0.907 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 2.2 | -173.3 | -58.9 | -61.1 | 0 | 0 | 0 | 114.2 | C94 | C94-H96 PolarHBondContact O-N 3.12Å; C94-H96 VanDerWaalsContact O-N 3.15Å |
| 97 | G | 68.5 | Low | 85.7 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -177.6 | 129.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | C94 | C94-G97 WeakPolarHBondContact CB-O 3.43Å; C94-G97 CarbonylContact O-C 3.52Å; C94-G97 PolarHBondContact O-N 3.41Å |
| 98 | G | 83.2 | Confident | 84.7 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 24% | 0.237 | 32% | 0.317 | C | S | . | . | trans | 131.1 | 57.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R90 L91 F100 | R90-G98 WeakPolarHBondContact CA-O 3.36Å; L91-G98 PolarHBondContact N-O 2.82Å; G98-F100 VanDerWaalsContact C-CE2 3.44Å; G98-F100 VanDerWaalsContact O-CD2 3.23Å; G98-F100 WeakPolarHBondContact O-CD2 3.36Å; G98-F100 VanDerWaalsContact O-CE2 3.3Å; G98-F100 WeakPolarHBondContact O-CE2 3.15Å | ||
| 99 | V | 91.9 | Very high | 83.3 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.345 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.4 | 168.4 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | K88 A89 H151 | K88-V99 HydrophobicContact CD-CG1 4.38Å; K88-V99 HydrophobicContact CG-CG1 3.72Å; A89-V99 CarbonylContact O-C 3.55Å; A89-V99 VanDerWaalsContact O-CA 3.31Å; A89-V99 WeakPolarHBondContact O-CA 3.24Å; V99-H151 HydrophobicContact CG1-CB 4.1Å; V99-H151 WeakPolarHBondContact O-CB 3.49Å |
| 100 | F | 94.1 | Very high | 82 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.9 | -176 | -61.6 | -85.4 | 0 | 0 | 0 | 110.1 | F72 A89 L91 G98 H135 V148 F149 | F72-F100 HydrophobicContact CD1-CD2 4.41Å; F72-F100 HydrophobicContact CE1-CB 4.33Å; F72-F100 AromaticContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CD2 3.74Å; F72-F100 HydrophobicContact CE1-CE2 4.32Å; F72-F100 HydrophobicContact CE1-CG 4.13Å; A89-F100 PolarHBondContact N-O 2.7Å; A89-F100 PolarHBondContact O-N 2.87Å; L91-F100 HydrophobicContact CB-CE2 4.09Å; G98-F100 VanDerWaalsContact C-CE2 3.44Å; G98-F100 VanDerWaalsContact O-CD2 3.23Å; G98-F100 WeakPolarHBondContact O-CD2 3.36Å; G98-F100 VanDerWaalsContact O-CE2 3.3Å; G98-F100 WeakPolarHBondContact O-CE2 3.15Å; F100-H135 AromaticContact CD1-CD2 3.7Å; F100-H135 AromaticContact CE1-CD2 3.65Å; F100-H135 AromaticContact CE1-NE2 3.72Å; F100-V148 HydrophobicContact CB-CG1 3.82Å; F100-V148 HydrophobicContact CD1-CG1 3.84Å; F100-V148 HydrophobicContact CG-CG1 3.9Å; F100-F149 WeakPolarHBondContact CA-O 3.36Å; F100-F149 WeakPolarHBondContact CB-O 3.36Å |
| 101 | A | 95.6 | Very high | 81.3 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 122.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | L78 V86 Y87 F149 | L78-A101 HydrophobicContact CD1-CB 3.96Å; V86-A101 HydrophobicContact CG1-CB 3.98Å; Y87-A101 CarbonylContact O-C 3.53Å; Y87-A101 WeakPolarHBondContact O-CA 3.49Å; A101-F149 HydrophobicContact CB-CB 4.36Å; A101-F149 PolarHBondContact N-O 3.09Å; A101-F149 PolarHBondContact O-N 3.42Å |
| 102 | L | 94.1 | Very high | 81 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 104.4 | -178 | -177.4 | 72.6 | 0 | 0 | 0 | 109.2 | M69 V74 V86 Y87 A89 V146 V148 | M69-L102 HydrophobicContact CE-CD2 3.59Å; M69-L102 HydrophobicContact SD-CD1 3.89Å; M69-L102 HydrophobicContact SD-CD2 3.94Å; M69-L102 HydrophobicContact SD-CG 4.47Å; V74-L102 HydrophobicContact CG2-CD2 4.39Å; V86-L102 WeakPolarHBondContact CA-O 3.21Å; Y87-L102 PolarHBondContact N-O 2.84Å; Y87-L102 PolarHBondContact O-N 3.17Å; A89-L102 HydrophobicContact CB-CB 4.14Å; L102-V146 HydrophobicContact CD1-CG1 3.48Å; L102-V146 VanDerWaalsContact CD1-CG1 3.48Å; L102-V146 HydrophobicContact CG-CG1 4.08Å; L102-V148 HydrophobicContact CD1-CG2 3.92Å |
| 103 | K | 93.8 | Very high | 80.8 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 10% | 0.096 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.6 | 176.4 | -175.4 | 173.8 | 175.6 | 178.4 | 0 | 108.8 | N84 V86 V146 A147 F149 D215 D217 | N84-K103 HydrophobicContact CB-CG 4.01Å; N84-K103 VanDerWaalsContact CG-CE 3.46Å; N84-K103 VanDerWaalsContact ND2-CE 3.29Å; N84-K103 WeakPolarHBondContact ND2-CE 3.45Å; V86-K103 HydrophobicContact CG2-CB 4.42Å; V86-K103 HydrophobicContact CG2-CG 4.35Å; K103-V146 WeakPolarHBondContact O-CA 3.27Å; K103-A147 PolarHBondContact N-O 3.18Å; K103-A147 PolarHBondContact O-N 3.3Å; K103-F149 HydrophobicContact CB-CD2 4.28Å; K103-F149 HydrophobicContact CB-CE2 3.98Å; K103-F149 HydrophobicContact CD-CE2 4.3Å; K103-D215 IonicContact NZ-OD1 3.48Å; K103-D215 PolarHBondContact NZ-OD1 3.38Å; K103-D215 IonicContact NZ-OD2 3.6Å; K103-D215 PolarHBondContact NZ-OD2 2.82Å; K103-D217 WeakPolarHBondContact CE-OD2 3.34Å; K103-D217 IonicContact NZ-OD1 3.88Å; K103-D217 IonicContact NZ-OD2 2.85Å; K103-D217 PolarHBondContact NZ-OD2 3.49Å |
| 104 | T | 90.6 | Very high | 80.9 | Confident | 24 Ų | 24 | 64.5 Ų | 64.5 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.2 | -176.8 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | N84 V85 V146 | N84-T104 CarbonylContact C-O 3.57Å; N84-T104 VanDerWaalsContact CA-O 3.29Å; N84-T104 WeakPolarHBondContact CA-O 3.42Å; V85-T104 WeakPolarHBondContact CG1-O 3.46Å; V85-T104 PolarHBondContact N-O 2.89Å; V85-T104 PolarHBondContact O-N 2.75Å; V85-T104 VanDerWaalsContact O-O 3.13Å; T104-V146 HydrophobicContact CG2-CG2 4.19Å |
| 105 | P | 87.8 | Confident | 81.4 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 148.1 | 179.2 | 32.1 | -35.9 | 0 | 0 | 0 | 111.4 | Y83 N84 Y107 L109 L144 R145 | Y83-P105 WeakPolarHBondContact O-CA 3.39Å; N84-P105 VanDerWaalsContact OD1-CA 3.25Å; N84-P105 WeakPolarHBondContact OD1-CA 3.45Å; P105-Y107 WeakPolarHBondContact CB-O 3.3Å; P105-L109 HydrophobicContact CB-CD1 3.55Å; P105-L109 HydrophobicContact CB-CG 3.68Å; P105-L144 HydrophobicContact CG-CB 4.06Å; P105-L144 HydrophobicContact CG-CD2 3.98Å; P105-R145 WeakPolarHBondContact CD-O 3.41Å |
| 106 | Y | 83.4 | Confident | 82.8 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 45% | 0.451 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -73.7 | -32.1 | 173.6 | -69.7 | -61.3 | 0 | 0 | 0 | 112.8 | G81 Y83 N84 V85 | G81-Y106 WeakPolarHBondContact O-CE2 3.32Å; Y83-Y106 VanDerWaalsContact C-CD2 3.47Å; Y83-Y106 PolarHBondContact O-N 2.75Å; N84-Y106 WeakPolarHBondContact O-CE2 3.3Å; V85-Y106 HydrophobicContact CB-CE1 3.82Å; V85-Y106 HydrophobicContact CG1-CD1 4.48Å; V85-Y106 HydrophobicContact CG1-CE1 4.08Å |
| 107 | Y | 79.6 | Confident | 84.1 | Confident | 103 Ų | 103 | 55.9 Ų | 55.9 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -144.2 | 166.6 | -175.3 | 34.9 | -91.5 | 0 | 0 | 0 | 108.5 | L82 Y83 P105 L109 | L82-Y107 PolarHBondContact O-OH 3.02Å; Y83-Y107 AromaticContact CD1-CE2 3.8Å; Y83-Y107 HydrophobicContact CD1-CE2 3.8Å; Y83-Y107 AromaticContact CD1-CZ 3.82Å; Y83-Y107 WeakPolarHBondContact CD1-OH 3.44Å; Y83-Y107 HydrophobicContact CE1-CE2 4.46Å; P105-Y107 WeakPolarHBondContact CB-O 3.3Å; Y107-L109 HydrophobicContact CD2-CD2 3.52Å; Y107-L109 HydrophobicContact CE2-CD2 3.38Å; Y107-L109 WeakPolarHBondContact O-CG 3.09Å; Y107-L109 PolarHBondContact O-N 3.26Å |
| 108 | D | 73 | Confident | 85.2 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | trans | -55.7 | 113 | 171.7 | -167.8 | -17.1 | 0 | 0 | 0 | 110 | G110 S143 L144 | D108-G110 PolarHBondContact OD1-N 3.25Å; D108-G110 VanDerWaalsContact OD1-O 3.08Å; D108-S143 WeakPolarHBondContact OD1-CB 3.36Å; D108-S143 WeakPolarHBondContact OD2-CB 3.39Å; D108-S143 PolarHBondContact OD2-OG 3.27Å; D108-L144 HydrophobicContact CB-CD2 4.49Å | ||
| 109 | L | 66.2 | Low | 85.7 | Confident | 65 Ų | 65 | 53.1 Ų | 53.1 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | trans | -93.7 | -6.6 | -174.6 | -67.5 | -176.1 | 0 | 0 | 0 | 113.1 | Y83 N84 P105 Y107 | Y83-L109 HydrophobicContact CD1-CD2 3.87Å; Y83-L109 HydrophobicContact CG-CD2 4.17Å; N84-L109 WeakPolarHBondContact OD1-CD1 3.28Å; P105-L109 HydrophobicContact CB-CD1 3.55Å; P105-L109 HydrophobicContact CB-CG 3.68Å; Y107-L109 HydrophobicContact CD2-CD2 3.52Å; Y107-L109 HydrophobicContact CE2-CD2 3.38Å; Y107-L109 WeakPolarHBondContact O-CG 3.09Å; Y107-L109 PolarHBondContact O-N 3.26Å | ||
| 110 | G | 65.7 | Low | 85.8 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | trans | 163 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D108 | D108-G110 PolarHBondContact OD1-N 3.25Å; D108-G110 VanDerWaalsContact OD1-O 3.08Å | ||
| 111 | G | 77.7 | Confident | 85.9 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | trans | -88.5 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E113 E114 D115 | G111-E113 PolarHBondContact O-N 2.8Å; G111-E114 VanDerWaalsContact CA-OE2 3.27Å; G111-E114 WeakPolarHBondContact CA-OE2 3.43Å; G111-E114 PolarHBondContact N-OE2 3.15Å; G111-E114 PolarHBondContact O-N 3.17Å; G111-E114 VanDerWaalsContact O-OE2 3.14Å; G111-D115 PolarHBondContact O-N 3.02Å | ||
| 112 | R | 81.7 | Confident | 86 | Confident | 125 Ų | 125 | 49.5 Ų | 49.5 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.5 | -25.5 | 177 | -60.2 | -167.1 | 161.9 | -129 | -6.2 | 113.1 | E59 E116 E142 | E59-R112 IonicContact OE1-NH1 2.64Å; E59-R112 PolarHBondContact OE1-NH1 2.71Å; E59-R112 IonicContact OE2-CZ 3.96Å; E59-R112 IonicContact OE2-NH1 3.34Å; E59-R112 PolarHBondContact OE2-NH1 3.02Å; E59-R112 VanDerWaalsContact OE2-NH1 3.12Å; E59-R112 IonicContact OE2-NH2 2.76Å; E59-R112 PolarHBondContact OE2-NH2 2.92Å; R112-E116 WeakPolarHBondContact O-CB 3.41Å; R112-E116 PolarHBondContact O-N 2.9Å; R112-E116 VanDerWaalsContact O-N 3.12Å; R112-E142 IonicContact CZ-OE2 3.69Å; R112-E142 IonicContact NE-OE2 3.15Å; R112-E142 IonicContact NH2-OE1 3.58Å; R112-E142 IonicContact NH2-OE2 3.36Å; R112-E142 PolarHBondContact NH2-OE2 2.83Å |
| 113 | E | 84.7 | Confident | 86 | Confident | 142 Ų | 142 | 55.5 Ų | 55.5 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74.5 | -44.3 | -179.2 | -172 | 175.1 | 179.2 | 0 | 0 | 112.3 | G111 D115 E116 A117 | G111-E113 PolarHBondContact O-N 2.8Å; E113-D115 VanDerWaalsContact C-N 3.33Å; E113-E116 PolarHBondContact O-N 2.95Å; E113-A117 WeakPolarHBondContact O-CB 3.34Å; E113-A117 PolarHBondContact O-N 3.03Å |
| 114 | E | 85.4 | Confident | 86.2 | Confident | 95 Ų | 95 | 59.5 Ų | 59.5 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.9 | -66.9 | 79.4 | -173.6 | 0 | 0 | 111.4 | G111 A117 V118 R145 | G111-E114 VanDerWaalsContact CA-OE2 3.27Å; G111-E114 WeakPolarHBondContact CA-OE2 3.43Å; G111-E114 PolarHBondContact N-OE2 3.15Å; G111-E114 PolarHBondContact O-N 3.17Å; G111-E114 VanDerWaalsContact O-OE2 3.14Å; E114-A117 PolarHBondContact O-N 3.49Å; E114-V118 PolarHBondContact O-N 2.92Å; E114-V118 VanDerWaalsContact O-N 3.08Å; E114-R145 VanDerWaalsContact C-NH2 3.32Å; E114-R145 PolarHBondContact O-NH2 2.88Å |
| 115 | D | 87.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.2 | -73.1 | -3 | 0 | 0 | 0 | 111.5 | I61 G111 E113 A117 V118 A119 M137 R139 R145 | I61-D115 HydrophobicContact CD1-CB 4.03Å; G111-D115 PolarHBondContact O-N 3.02Å; E113-D115 VanDerWaalsContact C-N 3.33Å; D115-A117 VanDerWaalsContact C-N 3.34Å; D115-A117 PolarHBondContact O-N 3.26Å; D115-V118 PolarHBondContact O-N 2.75Å; D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 2.7Å; D115-M137 WeakPolarHBondContact O-CE 3.42Å; D115-R139 IonicContact OD2-NH1 3.61Å; D115-R145 IonicContact OD1-CZ 3.41Å; D115-R145 IonicContact OD1-NE 2.79Å; D115-R145 PolarHBondContact OD1-NE 3.41Å; D115-R145 IonicContact OD1-NH2 3.72Å; D115-R145 PolarHBondContact OD1-NH2 3.12Å |
| 116 | E | 89.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -34.6 | -179.7 | -173.6 | 56.4 | -145 | 0 | 0 | 111.8 | R112 E113 A119 A120 R123 | R112-E116 WeakPolarHBondContact O-CB 3.41Å; R112-E116 PolarHBondContact O-N 2.9Å; R112-E116 VanDerWaalsContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 2.95Å; E116-A119 WeakPolarHBondContact O-CB 3.33Å; E116-A119 PolarHBondContact O-N 3.28Å; E116-A120 VanDerWaalsContact O-CB 3.3Å; E116-A120 WeakPolarHBondContact O-CB 3.47Å; E116-A120 PolarHBondContact O-N 3.42Å; E116-R123 IonicContact OE1-CZ 3.71Å; E116-R123 IonicContact OE1-NH2 3.12Å; E116-R123 PolarHBondContact OE1-NH2 3.08Å |
| 117 | A | 90.7 | Very high | 87.5 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E113 E114 D115 A120 V121 | E113-A117 WeakPolarHBondContact O-CB 3.34Å; E113-A117 PolarHBondContact O-N 3.03Å; E114-A117 PolarHBondContact O-N 3.49Å; D115-A117 VanDerWaalsContact C-N 3.34Å; D115-A117 PolarHBondContact O-N 3.26Å; A117-A120 PolarHBondContact O-N 2.83Å; A117-V121 PolarHBondContact O-N 3.36Å; A117-V121 VanDerWaalsContact O-N 3.17Å |
| 118 | V | 92.7 | Very high | 88.3 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | E114 D115 A120 V121 L122 M137 | E114-V118 PolarHBondContact O-N 2.92Å; E114-V118 VanDerWaalsContact O-N 3.08Å; D115-V118 PolarHBondContact O-N 2.75Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 3.22Å; V118-V121 WeakPolarHBondContact O-CB 2.93Å; V118-V121 PolarHBondContact O-N 3.03Å; V118-V121 VanDerWaalsContact O-N 3.09Å; V118-L122 HydrophobicContact CG1-CD1 3.95Å; V118-L122 HydrophobicContact CG1-CG 4.21Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 2.86Å; V118-M137 HydrophobicContact CG1-SD 4.47Å |
| 119 | A | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.5 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I61 V62 D115 E116 V121 L122 R123 M137 | I61-A119 HydrophobicContact CG2-CB 3.54Å; V62-A119 HydrophobicContact CG2-CB 3.51Å; D115-A119 WeakPolarHBondContact O-CB 3.45Å; D115-A119 PolarHBondContact O-N 2.7Å; E116-A119 WeakPolarHBondContact O-CB 3.33Å; E116-A119 PolarHBondContact O-N 3.28Å; A119-V121 VanDerWaalsContact C-N 3.29Å; A119-V121 PolarHBondContact O-N 3.23Å; A119-L122 PolarHBondContact O-N 2.68Å; A119-R123 WeakPolarHBondContact O-CB 3.43Å; A119-R123 WeakPolarHBondContact O-CG 3.41Å; A119-R123 PolarHBondContact O-N 3.32Å; A119-R123 PolarHBondContact O-NE 3.38Å; A119-M137 HydrophobicContact CB-CE 3.5Å; A119-M137 VanDerWaalsContact CB-CE 3.5Å |
| 120 | A | 94.7 | Very high | 91 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 13% | 0.132 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -30.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E116 A117 V118 R124 I221 | E116-A120 VanDerWaalsContact O-CB 3.3Å; E116-A120 WeakPolarHBondContact O-CB 3.47Å; E116-A120 PolarHBondContact O-N 3.42Å; A117-A120 PolarHBondContact O-N 2.83Å; V118-A120 VanDerWaalsContact C-N 3.29Å; V118-A120 PolarHBondContact O-N 3.22Å; A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 2.74Å; A120-R124 PolarHBondContact O-NH1 3.41Å; A120-I221 HydrophobicContact CB-CD1 3.85Å |
| 121 | V | 96.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.3 | -52.3 | 170.3 | 173.8 | 0 | 0 | 0 | 0 | 110 | A117 V118 A119 R123 R124 V125 V193 F216 A219 I221 | A117-V121 PolarHBondContact O-N 3.36Å; A117-V121 VanDerWaalsContact O-N 3.17Å; V118-V121 WeakPolarHBondContact O-CB 2.93Å; V118-V121 PolarHBondContact O-N 3.03Å; V118-V121 VanDerWaalsContact O-N 3.09Å; A119-V121 VanDerWaalsContact C-N 3.29Å; A119-V121 PolarHBondContact O-N 3.23Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 2.88Å; V121-R124 WeakPolarHBondContact O-CA 3.25Å; V121-R124 WeakPolarHBondContact O-CB 3.29Å; V121-R124 PolarHBondContact O-N 2.68Å; V121-V125 HydrophobicContact CG1-CG1 4.27Å; V121-V125 WeakPolarHBondContact O-CG1 3.48Å; V121-V125 PolarHBondContact O-N 3.23Å; V121-V193 HydrophobicContact CG1-CG1 3.83Å; V121-F216 HydrophobicContact CG1-CB 3.97Å; V121-F216 HydrophobicContact CG1-CD1 3.75Å; V121-F216 HydrophobicContact CG1-CG 4.17Å; V121-A219 HydrophobicContact CG1-CB 3.91Å; V121-A219 HydrophobicContact CG2-CB 4.47Å; V121-I221 HydrophobicContact CG2-CD1 3.75Å; V121-I221 HydrophobicContact CG2-CG1 3.91Å |
| 122 | L | 96.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | -178 | -69.5 | 175.5 | 0 | 0 | 0 | 112 | V118 A119 R124 V125 E126 C134 M137 F149 F216 | V118-L122 HydrophobicContact CG1-CD1 3.95Å; V118-L122 HydrophobicContact CG1-CG 4.21Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 2.86Å; A119-L122 PolarHBondContact O-N 2.68Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 2.81Å; L122-V125 WeakPolarHBondContact O-CG2 3.37Å; L122-V125 PolarHBondContact O-N 2.7Å; L122-E126 PolarHBondContact O-N 2.97Å; L122-E126 VanDerWaalsContact O-N 3.09Å; L122-C134 HydrophobicContact CD1-CB 4.16Å; L122-C134 HydrophobicContact CD2-CB 4.07Å; L122-M137 HydrophobicContact CD1-SD 3.99Å; L122-F149 HydrophobicContact CD2-CE1 4.45Å; L122-F216 HydrophobicContact CD2-CB 4.27Å; L122-F216 HydrophobicContact CD2-CD2 4.27Å; L122-F216 HydrophobicContact CD2-CG 4.47Å |
| 123 | R | 95.7 | Very high | 94.3 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 48% | 0.479 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 173.5 | -74.4 | -176.1 | -75.9 | 128.6 | -10.5 | 112.7 | V62 E116 A119 V121 | V62-R123 HydrophobicContact CG1-CG 4.39Å; V62-R123 HydrophobicContact CG2-CG 4.31Å; E116-R123 IonicContact OE1-CZ 3.71Å; E116-R123 IonicContact OE1-NH2 3.12Å; E116-R123 PolarHBondContact OE1-NH2 3.08Å; A119-R123 WeakPolarHBondContact O-CB 3.43Å; A119-R123 WeakPolarHBondContact O-CG 3.41Å; A119-R123 PolarHBondContact O-N 3.32Å; A119-R123 PolarHBondContact O-NE 3.38Å; V121-R123 VanDerWaalsContact C-N 3.32Å; V121-R123 PolarHBondContact O-N 2.88Å |
| 124 | R | 96.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.2 | -32.6 | 177.1 | -84.3 | -176.3 | 176.2 | 90.4 | -5.7 | 112.6 | A120 V121 L122 R191 V193 I221 | A120-R124 WeakPolarHBondContact O-CG 3.46Å; A120-R124 PolarHBondContact O-N 2.74Å; A120-R124 PolarHBondContact O-NH1 3.41Å; V121-R124 WeakPolarHBondContact O-CA 3.25Å; V121-R124 WeakPolarHBondContact O-CB 3.29Å; V121-R124 PolarHBondContact O-N 2.68Å; L122-R124 VanDerWaalsContact C-N 3.3Å; L122-R124 PolarHBondContact O-N 2.81Å; R124-R191 WeakPolarHBondContact O-CD 3.4Å; R124-R191 PolarHBondContact O-NH1 2.89Å; R124-V193 HydrophobicContact CB-CG2 3.95Å; R124-I221 VanDerWaalsContact CZ-CG2 3.49Å |
| 125 | V | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -94.5 | -3.4 | -174.6 | -53.3 | 0 | 0 | 0 | 0 | 113.3 | V121 L122 G127 L128 V131 L188 V193 F216 | V121-V125 HydrophobicContact CG1-CG1 4.27Å; V121-V125 WeakPolarHBondContact O-CG1 3.48Å; V121-V125 PolarHBondContact O-N 3.23Å; L122-V125 WeakPolarHBondContact O-CG2 3.37Å; L122-V125 PolarHBondContact O-N 2.7Å; V125-G127 PolarHBondContact O-N 2.81Å; V125-L128 HydrophobicContact CB-CD1 4.02Å; V125-L128 HydrophobicContact CG1-CD1 4.43Å; V125-L128 WeakPolarHBondContact O-CB 3.29Å; V125-L128 WeakPolarHBondContact O-CG 3.43Å; V125-L128 PolarHBondContact O-N 3.25Å; V125-V131 HydrophobicContact CB-CG1 4.42Å; V125-V131 HydrophobicContact CG2-CG1 4.17Å; V125-L188 HydrophobicContact CB-CD2 3.83Å; V125-L188 HydrophobicContact CG1-CD2 3.25Å; V125-V193 HydrophobicContact CG1-CB 4.19Å; V125-V193 HydrophobicContact CG1-CG1 4.02Å; V125-V193 HydrophobicContact CG1-CG2 3.99Å; V125-F216 HydrophobicContact CG1-CE1 4.15Å; V125-F216 HydrophobicContact CG2-CE1 4.39Å; V125-F216 HydrophobicContact CG2-CZ 4.33Å |
| 126 | E | 95.7 | Very high | 95.2 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133.6 | -179.4 | -172.1 | 177.3 | -166.9 | 0 | 0 | 112.6 | L122 L128 R133 R191 | L122-E126 PolarHBondContact O-N 2.97Å; L122-E126 VanDerWaalsContact O-N 3.09Å; E126-L128 PolarHBondContact O-N 3.03Å; E126-R133 IonicContact OE1-NH2 3.85Å; E126-R191 PolarHBondContact O-NH1 3.4Å; E126-R191 PolarHBondContact O-NH2 3.02Å |
| 127 | G | 96 | Very high | 95.3 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 74% | 0.742 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 6.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | V125 | V125-G127 PolarHBondContact O-N 2.81Š|
| 128 | L | 98.2 | Very high | 95.1 | Very high | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.141 | 20% | 0.203 | C | C | . | . | trans | -68.5 | 137.1 | 167.7 | -72.8 | 177.8 | 0 | 0 | 0 | 110.8 | V125 E126 V131 L188 R191 | V125-L128 HydrophobicContact CB-CD1 4.02Å; V125-L128 HydrophobicContact CG1-CD1 4.43Å; V125-L128 WeakPolarHBondContact O-CB 3.29Å; V125-L128 WeakPolarHBondContact O-CG 3.43Å; V125-L128 PolarHBondContact O-N 3.25Å; E126-L128 PolarHBondContact O-N 3.03Å; L128-V131 HydrophobicContact CB-CB 4.06Å; L128-V131 HydrophobicContact CB-CG2 3.79Å; L128-V131 HydrophobicContact CD1-CG2 4.31Å; L128-L188 HydrophobicContact CD1-CD2 3.8Å; L128-L188 HydrophobicContact CD1-CG 4.43Å; L128-R191 VanDerWaalsContact CD2-CZ 3.44Å | ||
| 129 | E | 96.7 | Very high | 94.7 | Very high | 133 Ų | 133 | 41.2 Ų | 41.2 | 62% | 0.621 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 149.4 | 167.9 | -164.1 | -177 | -174.4 | 0 | 0 | 109.9 | V131 | E129-V131 PolarHBondContact O-N 3.23Å; E129-V131 VanDerWaalsContact O-N 3.13Å |
| 130 | H | 98.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 11% | 0.111 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 19.8 | -179.8 | -56.4 | -65.8 | 0 | 0 | 0 | 115 | A180 A184 I211 K212 I213 | H130-A180 HydrophobicContact CB-CB 4.5Å; H130-A180 WeakPolarHBondContact CB-O 3.35Å; H130-A180 WeakPolarHBondContact ND1-CB 3.38Å; H130-A184 HydrophobicContact CB-CB 3.81Å; H130-A184 WeakPolarHBondContact O-CB 3.45Å; H130-I211 PolarHBondContact ND1-O 3.4Å; H130-K212 CarbonylContact O-C 3.19Å; H130-K212 VanDerWaalsContact O-CA 3.25Å; H130-K212 WeakPolarHBondContact O-CA 3.17Å; H130-I213 PolarHBondContact O-N 2.88Å |
| 131 | V | 98.6 | Very high | 93 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -120.2 | 130.8 | 171.8 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | V125 L128 E129 R133 A184 L188 F216 | V125-V131 HydrophobicContact CB-CG1 4.42Å; V125-V131 HydrophobicContact CG2-CG1 4.17Å; L128-V131 HydrophobicContact CB-CB 4.06Å; L128-V131 HydrophobicContact CB-CG2 3.79Å; L128-V131 HydrophobicContact CD1-CG2 4.31Å; E129-V131 PolarHBondContact O-N 3.23Å; E129-V131 VanDerWaalsContact O-N 3.13Å; V131-R133 PolarHBondContact O-N 3.33Å; V131-A184 HydrophobicContact CG2-CB 4.1Å; V131-L188 HydrophobicContact CG2-CD2 4.26Å; V131-F216 HydrophobicContact CG1-CE2 3.67Å; V131-F216 HydrophobicContact CG1-CZ 3.62Å; V131-F216 HydrophobicContact CG2-CZ 4.44Å |
| 132 | V | 98.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 122.4 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | C134 F149 E150 M152 L204 K212 I213 C214 | V132-C134 PolarHBondContact O-N 3.48Å; V132-F149 HydrophobicContact CG1-CB 4Å; V132-F149 HydrophobicContact CG1-CD1 4.01Å; V132-F149 HydrophobicContact CG1-CG 4.39Å; V132-E150 VanDerWaalsContact CA-OE1 3.32Å; V132-E150 WeakPolarHBondContact CA-OE1 3.42Å; V132-E150 HydrophobicContact CG1-CG 3.71Å; V132-M152 HydrophobicContact CG2-CG 4.12Å; V132-L204 HydrophobicContact CG2-CD1 4.13Å; V132-K212 HydrophobicContact CG2-CB 3.54Å; V132-K212 HydrophobicContact CG2-CD 4.35Å; V132-I213 PolarHBondContact N-O 3.4Å; V132-C214 HydrophobicContact CB-CB 3.92Å; V132-C214 HydrophobicContact CG1-CB 4.46Å; V132-C214 HydrophobicContact CG2-CB 3.7Å |
| 133 | R | 96.3 | Very high | 90.3 | Very high | 128 Ų | 128 | 52.9 Ų | 52.9 | 48% | 0.483 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.6 | 179.8 | -174.8 | 175.2 | -173.1 | 175.3 | 4.6 | 110.8 | E126 V131 F149 E150 | E126-R133 IonicContact OE1-NH2 3.85Å; V131-R133 PolarHBondContact O-N 3.33Å; R133-F149 CarbonylContact O-C 3.59Å; R133-F149 VanDerWaalsContact O-CA 3.28Å; R133-F149 WeakPolarHBondContact O-CA 3.38Å; R133-E150 HydrophobicContact CB-CB 4.38Å; R133-E150 HydrophobicContact CB-CG 4.15Å; R133-E150 PolarHBondContact N-OE1 2.92Å; R133-E150 PolarHBondContact O-N 2.89Å |
| 134 | C | 95.1 | Very high | 89.2 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 120 | 159.7 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | L122 V132 A136 V148 F149 | L122-C134 HydrophobicContact CD1-CB 4.16Å; L122-C134 HydrophobicContact CD2-CB 4.07Å; V132-C134 PolarHBondContact O-N 3.48Å; C134-A136 PolarHBondContact SG-O 3.45Å; C134-A136 VanDerWaalsContact SG-O 3.35Å; C134-V148 CarbonylContact C-O 3.59Å; C134-F149 HydrophobicContact CB-CD1 3.85Å; C134-F149 HydrophobicContact CB-CE1 3.6Å; C134-F149 HydrophobicContact CB-CZ 4.39Å |
| 135 | H | 92.1 | Very high | 88.7 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -38.5 | 176.3 | -72.5 | -79.8 | 0 | 0 | 0 | 112.1 | G63 F100 V148 E150 | G63-H135 WeakPolarHBondContact CA-O 3.19Å; F100-H135 AromaticContact CD1-CD2 3.7Å; F100-H135 AromaticContact CE1-CD2 3.65Å; F100-H135 AromaticContact CE1-NE2 3.72Å; H135-V148 HydrophobicContact CB-CB 4.45Å; H135-V148 HydrophobicContact CB-CG1 4.23Å; H135-V148 PolarHBondContact N-O 2.92Å; H135-E150 PolarHBondContact CD2-N 2.83Å |
| 136 | A | 91.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 155 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V62 L67 C134 A147 V148 | V62-A136 CarbonylContact O-C 3.6Å; V62-A136 WeakPolarHBondContact O-CA 3.31Å; L67-A136 HydrophobicContact CD2-CB 3.59Å; C134-A136 PolarHBondContact SG-O 3.45Å; C134-A136 VanDerWaalsContact SG-O 3.35Å; A136-A147 WeakPolarHBondContact O-CA 3.39Å; A136-V148 HydrophobicContact CB-CB 4.32Å; A136-V148 HydrophobicContact CB-CG2 4.34Å; A136-V148 PolarHBondContact N-O 2.93Å; A136-V148 PolarHBondContact O-N 3.24Å |
| 137 | M | 90.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 132.4 | 169.5 | -172.6 | 171.2 | 78.5 | 0 | 0 | 108.2 | I61 V62 D115 V118 A119 L122 R145 V146 A147 | I61-M137 WeakPolarHBondContact CA-O 3.43Å; I61-M137 HydrophobicContact CB-CE 3.84Å; I61-M137 HydrophobicContact CD1-CE 4.11Å; I61-M137 HydrophobicContact CD1-CG 4.4Å; I61-M137 HydrophobicContact CG2-CE 3.51Å; I61-M137 PolarHBondContact N-O 2.88Å; V62-M137 HydrophobicContact CB-CB 3.99Å; V62-M137 HydrophobicContact CG2-CB 4.43Å; V62-M137 HydrophobicContact CG2-CE 4.02Å; V62-M137 PolarHBondContact N-O 2.65Å; V62-M137 PolarHBondContact O-N 2.88Å; D115-M137 WeakPolarHBondContact O-CE 3.42Å; V118-M137 HydrophobicContact CG1-SD 4.47Å; A119-M137 HydrophobicContact CB-CE 3.5Å; A119-M137 VanDerWaalsContact CB-CE 3.5Å; L122-M137 HydrophobicContact CD1-SD 3.99Å; M137-R145 HydrophobicContact CG-CG 3.73Å; M137-R145 VanDerWaalsContact SD-CD 3.56Å; M137-R145 HydrophobicContact SD-CG 3.68Å; M137-V146 WeakPolarHBondContact CA-O 2.96Å; M137-A147 HydrophobicContact CB-CB 4.38Å; M137-A147 HydrophobicContact CG-CB 4.14Å |
| 138 | F | 86 | Confident | 88.1 | Confident | 6 Ų | 6 | 37.2 Ų | 37.2 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 154.7 | -179 | 45.5 | -92.8 | 0 | 0 | 0 | 110.2 | E59 M69 V146 V148 | E59-F138 CarbonylContact O-C 3.53Å; E59-F138 VanDerWaalsContact O-CA 3.24Å; E59-F138 WeakPolarHBondContact O-CA 3.23Å; E59-F138 WeakPolarHBondContact O-CB 3.48Å; M69-F138 HydrophobicContact CG-CD2 4.37Å; M69-F138 HydrophobicContact CG-CE2 3.28Å; M69-F138 HydrophobicContact CG-CZ 3.62Å; M69-F138 HydrophobicContact SD-CE2 3.5Å; M69-F138 VanDerWaalsContact SD-CE2 3.5Å; M69-F138 HydrophobicContact SD-CZ 3.37Å; M69-F138 WeakPolarHBondContact SD-CZ 3.47Å; F138-V146 HydrophobicContact CD2-CB 3.92Å; F138-V146 HydrophobicContact CE2-CB 3.36Å; F138-V146 HydrophobicContact CE2-CG1 3.57Å; F138-V146 HydrophobicContact CE2-CG2 4.15Å; F138-V146 HydrophobicContact CZ-CB 3.84Å; F138-V146 HydrophobicContact CZ-CG1 3.55Å; F138-V146 PolarHBondContact N-O 2.73Å; F138-V146 PolarHBondContact O-N 3.16Å; F138-V148 HydrophobicContact CE1-CG2 3.81Å; F138-V148 HydrophobicContact CZ-CG2 4.36Å |
| 139 | R | 84.6 | Confident | 88 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 6% | 0.057 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.8 | 175.7 | 175.6 | 165.3 | 53.1 | -126.1 | -5.6 | 108.9 | E58 E59 I61 D115 E142 | E58-R139 WeakPolarHBondContact CA-O 3.32Å; E59-R139 PolarHBondContact N-O 3.32Å; E59-R139 PolarHBondContact O-N 2.83Å; E59-R139 IonicContact OE1-NH2 3.8Å; E59-R139 PolarHBondContact OE1-NH2 2.77Å; E59-R139 IonicContact OE2-CZ 2.82Å; E59-R139 IonicContact OE2-NE 3.66Å; E59-R139 IonicContact OE2-NH2 3.82Å; E59-R139 PolarHBondContact OE2-NH2 3.2Å; I61-R139 HydrophobicContact CD1-CB 3.91Å; I61-R139 HydrophobicContact CG1-CB 4.47Å; D115-R139 IonicContact OD2-NH1 3.61Å; R139-E142 WeakPolarHBondContact CD-O 3.39Å |
| 140 | R | 76.2 | Confident | 87.9 | Confident | 47 Ų | 47 | 33 Ų | 33 | 18% | 0.177 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.7 | 177.4 | -174.8 | -179.3 | -176.5 | -156.1 | 0.8 | 110.1 | S56 E58 E142 S143 L144 | S56-R140 PolarHBondContact OG-NE 3.47Å; E58-R140 HydrophobicContact CG-CB 4.5Å; E58-R140 HydrophobicContact CG-CG 4.38Å; R140-E142 PolarHBondContact O-N 2.92Å; R140-S143 PolarHBondContact O-N 3.15Å; R140-L144 HydrophobicContact CB-CB 4.31Å; R140-L144 PolarHBondContact N-O 3.01Å; R140-L144 PolarHBondContact O-N 3.44Å |
| 141 | N | 75.3 | Confident | 87.7 | Confident | 88 Ų | 88 | 33.6 Ų | 33.6 | 47% | 0.471 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 41.7 | 177.7 | -57.5 | -23.8 | 0 | 0 | 0 | 112.6 | S56 D57 S143 | S56-N141 WeakPolarHBondContact CB-OD1 3.5Å; D57-N141 PolarHBondContact O-N 3.43Å; N141-S143 PolarHBondContact O-N 3.39Å |
| 142 | E | 68.1 | Low | 87.6 | Confident | 110 Ų | 110 | 33.8 Ų | 33.8 | 51% | 0.514 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -0.8 | 179.8 | -64.7 | -64.1 | 147.9 | 0 | 0 | 117.4 | R112 R139 R140 | R112-E142 IonicContact CZ-OE2 3.69Å; R112-E142 IonicContact NE-OE2 3.15Å; R112-E142 IonicContact NH2-OE1 3.58Å; R112-E142 IonicContact NH2-OE2 3.36Å; R112-E142 PolarHBondContact NH2-OE2 2.83Å; R139-E142 WeakPolarHBondContact CD-O 3.39Å; R140-E142 PolarHBondContact O-N 2.92Å |
| 143 | S | 68.1 | Low | 87.4 | Confident | 30 Ų | 30 | 35.2 Ų | 35.2 | 21% | 0.21 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -153.3 | -16.1 | 179.4 | 71.5 | 0 | 0 | 0 | 0 | 118.2 | D108 R140 N141 R145 | D108-S143 WeakPolarHBondContact OD1-CB 3.36Å; D108-S143 WeakPolarHBondContact OD2-CB 3.39Å; D108-S143 PolarHBondContact OD2-OG 3.27Å; R140-S143 PolarHBondContact O-N 3.15Å; N141-S143 PolarHBondContact O-N 3.39Å; S143-R145 PolarHBondContact O-N 3.43Å |
| 144 | L | 73.9 | Confident | 87.4 | Confident | 43 Ų | 43 | 29.3 Ų | 29.3 | 23% | 0.225 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 101.3 | -179.2 | -59.1 | 177.8 | 0 | 0 | 0 | 110.5 | P105 D108 R140 V146 | P105-L144 HydrophobicContact CG-CB 4.06Å; P105-L144 HydrophobicContact CG-CD2 3.98Å; D108-L144 HydrophobicContact CB-CD2 4.49Å; R140-L144 HydrophobicContact CB-CB 4.31Å; R140-L144 PolarHBondContact N-O 3.01Å; R140-L144 PolarHBondContact O-N 3.44Å; L144-V146 PolarHBondContact O-N 2.73Å |
| 145 | R | 86.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 29.3 Ų | 29.3 | 14% | 0.143 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 112 | 170.8 | -177.5 | -159.3 | -47.9 | 176.3 | 7.9 | 110.7 | P105 E114 D115 M137 S143 D217 | P105-R145 WeakPolarHBondContact CD-O 3.41Å; E114-R145 VanDerWaalsContact C-NH2 3.32Å; E114-R145 PolarHBondContact O-NH2 2.88Å; D115-R145 IonicContact OD1-CZ 3.41Å; D115-R145 IonicContact OD1-NE 2.79Å; D115-R145 PolarHBondContact OD1-NE 3.41Å; D115-R145 IonicContact OD1-NH2 3.72Å; D115-R145 PolarHBondContact OD1-NH2 3.12Å; M137-R145 HydrophobicContact CG-CG 3.73Å; M137-R145 VanDerWaalsContact SD-CD 3.56Å; M137-R145 HydrophobicContact SD-CG 3.68Å; S143-R145 PolarHBondContact O-N 3.43Å; R145-D217 IonicContact NH1-OD1 2.87Å |
| 146 | V | 89.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139 | 171.7 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | M69 L102 K103 T104 M137 F138 L144 | M69-V146 HydrophobicContact SD-CG1 3.69Å; L102-V146 HydrophobicContact CD1-CG1 3.48Å; L102-V146 VanDerWaalsContact CD1-CG1 3.48Å; L102-V146 HydrophobicContact CG-CG1 4.08Å; K103-V146 WeakPolarHBondContact O-CA 3.27Å; T104-V146 HydrophobicContact CG2-CG2 4.19Å; M137-V146 WeakPolarHBondContact CA-O 2.96Å; F138-V146 HydrophobicContact CD2-CB 3.92Å; F138-V146 HydrophobicContact CE2-CB 3.36Å; F138-V146 HydrophobicContact CE2-CG1 3.57Å; F138-V146 HydrophobicContact CE2-CG2 4.15Å; F138-V146 HydrophobicContact CZ-CB 3.84Å; F138-V146 HydrophobicContact CZ-CG1 3.55Å; F138-V146 PolarHBondContact N-O 2.73Å; F138-V146 PolarHBondContact O-N 3.16Å; L144-V146 PolarHBondContact O-N 2.73Å |
| 147 | A | 92.6 | Very high | 87.9 | Confident | 6 Ų | 6 | 27.9 Ų | 27.9 | 5% | 0.05 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K103 A136 M137 F149 | K103-A147 PolarHBondContact N-O 3.18Å; K103-A147 PolarHBondContact O-N 3.3Å; A136-A147 WeakPolarHBondContact O-CA 3.39Å; M137-A147 HydrophobicContact CB-CB 4.38Å; M137-A147 HydrophobicContact CG-CB 4.14Å; A147-F149 HydrophobicContact CB-CD2 4.18Å; A147-F149 HydrophobicContact CB-CE2 3.39Å; A147-F149 HydrophobicContact CB-CZ 3.88Å |
| 148 | V | 93.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.2 | -179.7 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | L67 F72 F100 L102 C134 H135 A136 F138 | L67-V148 HydrophobicContact CD2-CG2 4.46Å; F72-V148 HydrophobicContact CE1-CG1 3.93Å; F72-V148 HydrophobicContact CE1-CG2 4.49Å; F72-V148 HydrophobicContact CE2-CG2 3.83Å; F72-V148 HydrophobicContact CZ-CB 4.34Å; F72-V148 HydrophobicContact CZ-CG1 3.7Å; F72-V148 HydrophobicContact CZ-CG2 3.7Å; F100-V148 HydrophobicContact CB-CG1 3.82Å; F100-V148 HydrophobicContact CD1-CG1 3.84Å; F100-V148 HydrophobicContact CG-CG1 3.9Å; L102-V148 HydrophobicContact CD1-CG2 3.92Å; C134-V148 CarbonylContact C-O 3.59Å; H135-V148 HydrophobicContact CB-CB 4.45Å; H135-V148 HydrophobicContact CB-CG1 4.23Å; H135-V148 PolarHBondContact N-O 2.92Å; A136-V148 HydrophobicContact CB-CB 4.32Å; A136-V148 HydrophobicContact CB-CG2 4.34Å; A136-V148 PolarHBondContact N-O 2.93Å; A136-V148 PolarHBondContact O-N 3.24Å; F138-V148 HydrophobicContact CE1-CG2 3.81Å; F138-V148 HydrophobicContact CZ-CG2 4.36Å |
| 149 | F | 95.5 | Very high | 88.5 | Confident | 30 Ų | 30 | 31.9 Ų | 31.9 | 13% | 0.132 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 158.3 | 179.9 | -64.9 | -88.2 | 0 | 0 | 0 | 111.7 | F100 A101 K103 L122 V132 R133 C134 A147 | F100-F149 WeakPolarHBondContact CA-O 3.36Å; F100-F149 WeakPolarHBondContact CB-O 3.36Å; A101-F149 HydrophobicContact CB-CB 4.36Å; A101-F149 PolarHBondContact N-O 3.09Å; A101-F149 PolarHBondContact O-N 3.42Å; K103-F149 HydrophobicContact CB-CD2 4.28Å; K103-F149 HydrophobicContact CB-CE2 3.98Å; K103-F149 HydrophobicContact CD-CE2 4.3Å; L122-F149 HydrophobicContact CD2-CE1 4.45Å; V132-F149 HydrophobicContact CG1-CB 4Å; V132-F149 HydrophobicContact CG1-CD1 4.01Å; V132-F149 HydrophobicContact CG1-CG 4.39Å; R133-F149 CarbonylContact O-C 3.59Å; R133-F149 VanDerWaalsContact O-CA 3.28Å; R133-F149 WeakPolarHBondContact O-CA 3.38Å; C134-F149 HydrophobicContact CB-CD1 3.85Å; C134-F149 HydrophobicContact CB-CE1 3.6Å; C134-F149 HydrophobicContact CB-CZ 4.39Å; A147-F149 HydrophobicContact CB-CD2 4.18Å; A147-F149 HydrophobicContact CB-CE2 3.39Å; A147-F149 HydrophobicContact CB-CZ 3.88Å |
| 150 | E | 95 | Very high | 89 | Confident | 40 Ų | 40 | 31.2 Ų | 31.2 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 144.2 | 165.8 | 67.3 | 177.4 | 135.1 | 0 | 0 | 110.3 | V132 R133 H135 M152 K212 | V132-E150 VanDerWaalsContact CA-OE1 3.32Å; V132-E150 WeakPolarHBondContact CA-OE1 3.42Å; V132-E150 HydrophobicContact CG1-CG 3.71Å; R133-E150 HydrophobicContact CB-CB 4.38Å; R133-E150 HydrophobicContact CB-CG 4.15Å; R133-E150 PolarHBondContact N-OE1 2.92Å; R133-E150 PolarHBondContact O-N 2.89Å; H135-E150 PolarHBondContact CD2-N 2.83Å; E150-M152 HydrophobicContact CG-SD 4.28Å; E150-K212 VanDerWaalsContact OE1-CD 3.3Å; E150-K212 WeakPolarHBondContact OE1-CD 3.19Å; E150-K212 IonicContact OE1-NZ 3.74Å; E150-K212 PolarHBondContact OE1-NZ 2.89Å; E150-K212 IonicContact OE2-NZ 2.63Å; E150-K212 PolarHBondContact OE2-NZ 2.94Å |
| 151 | H | 95.2 | Very high | 89.9 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | trans | -90.5 | 116.4 | -178.6 | 177.9 | -106.3 | 0 | 0 | 0 | 111.3 | V99 | V99-H151 HydrophobicContact CG1-CB 4.1Å; V99-H151 WeakPolarHBondContact O-CB 3.49Å | ||
| 152 | M | 96.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 6% | 0.059 | 15% | 0.153 | C | C | . | . | trans | -96.7 | 95.6 | 175.6 | -59 | -60.1 | -64.6 | 0 | 0 | 109.6 | V132 E150 G154 G155 L204 A205 D206 K212 | V132-M152 HydrophobicContact CG2-CG 4.12Å; E150-M152 HydrophobicContact CG-SD 4.28Å; M152-G154 VanDerWaalsContact C-N 3.25Å; M152-G154 PolarHBondContact O-N 3.39Å; M152-G155 PolarHBondContact O-N 3.17Å; M152-G155 VanDerWaalsContact O-N 3.08Å; M152-L204 HydrophobicContact CB-CB 3.66Å; M152-L204 HydrophobicContact CB-CD1 3.96Å; M152-L204 HydrophobicContact CB-CG 4.45Å; M152-L204 HydrophobicContact CG-CB 3.77Å; M152-L204 HydrophobicContact CG-CD1 3.91Å; M152-A205 CarbonylContact C-O 3.53Å; M152-A205 WeakPolarHBondContact CB-O 3.39Å; M152-D206 HydrophobicContact CE-CB 3.94Å; M152-K212 HydrophobicContact CE-CB 4.21Å; M152-K212 HydrophobicContact CE-CD 3.97Å; M152-K212 HydrophobicContact CE-CG 3.85Å; M152-K212 HydrophobicContact SD-CD 3.86Å; M152-K212 HydrophobicContact SD-CG 4.36Å | ||
| 153 | N | 94.3 | Very high | 92 | Very high | 38 Ų | 38 | 28.1 Ų | 28.1 | 20% | 0.203 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10 | -169.2 | 67.1 | -26.1 | 0 | 0 | 0 | 115.5 | G155 D206 A207 M362 D366 | N153-G155 VanDerWaalsContact C-N 3.29Å; N153-D206 VanDerWaalsContact OD1-CA 3.29Å; N153-D206 WeakPolarHBondContact OD1-CA 3.36Å; N153-D206 WeakPolarHBondContact OD1-CB 3.22Å; N153-A207 PolarHBondContact OD1-N 3Å; N153-M362 HydrophobicContact CB-CE 4.37Å; N153-D366 PolarHBondContact ND2-O 2.85Å |
| 154 | G | 95.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -14.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.3 | M152 A205 | M152-G154 VanDerWaalsContact C-N 3.25Å; M152-G154 PolarHBondContact O-N 3.39Å; G154-A205 CarbonylContact C-O 3.53Å; G154-A205 WeakPolarHBondContact CA-O 3.1Å; G154-A205 PolarHBondContact N-O 3.11Å |
| 155 | G | 95.2 | Very high | 94 | Very high | 15 Ų | 15 | 30.4 Ų | 30.4 | 16% | 0.155 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | -166.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M152 N153 L204 A205 | M152-G155 PolarHBondContact O-N 3.17Å; M152-G155 VanDerWaalsContact O-N 3.08Å; N153-G155 VanDerWaalsContact C-N 3.29Å; G155-L204 CarbonylContact O-C 3.57Å; G155-L204 WeakPolarHBondContact O-CA 3.42Å; G155-A205 PolarHBondContact N-O 3.23Å; G155-A205 PolarHBondContact O-N 2.71Å |
| 156 | S | 96.4 | Very high | 93.8 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 16% | 0.161 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 154.2 | -179.8 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | D158 R159 A160 I203 | S156-D158 PolarHBondContact O-N 3.38Å; S156-R159 WeakPolarHBondContact O-CB 3.36Å; S156-R159 PolarHBondContact O-N 2.93Å; S156-R159 VanDerWaalsContact O-N 3.13Å; S156-R159 WeakPolarHBondContact OG-CB 3.42Å; S156-R159 PolarHBondContact OG-N 2.99Å; S156-A160 PolarHBondContact O-N 2.9Å; S156-I203 CarbonylContact C-O 3.59Å; S156-I203 VanDerWaalsContact CA-O 3.31Å; S156-I203 WeakPolarHBondContact CA-O 3.21Å |
| 157 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -26.6 | 173.3 | -65.6 | -173.2 | 0 | 0 | 0 | 112.5 | A160 L161 V177 P200 I203 I211 L273 I358 | L157-A160 PolarHBondContact O-N 3.37Å; L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.36Å; L157-L161 PolarHBondContact O-N 3.21Å; L157-V177 HydrophobicContact CD1-CB 4.35Å; L157-V177 HydrophobicContact CD1-CG1 3.56Å; L157-V177 HydrophobicContact CD1-CG2 3.76Å; L157-P200 PolarHBondContact N-O 3.32Å; L157-I203 HydrophobicContact CD1-CB 3.96Å; L157-I203 HydrophobicContact CD1-CD1 4.5Å; L157-I203 HydrophobicContact CD1-CG2 3.44Å; L157-I203 VanDerWaalsContact CD1-CG2 3.44Å; L157-I203 HydrophobicContact CG-CB 4.14Å; L157-I203 HydrophobicContact CG-CG2 3.84Å; L157-I203 PolarHBondContact N-O 2.97Å; L157-I211 HydrophobicContact CD2-CD1 4.24Å; L157-L273 HydrophobicContact CB-CD2 3.87Å; L157-L273 HydrophobicContact CD1-CD1 3.77Å; L157-I358 HydrophobicContact CD2-CD1 3.84Å |
| 158 | D | 95 | Very high | 94.1 | Very high | 27 Ų | 27 | 39.1 Ų | 39.1 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 169 | -177.9 | 78.8 | 0 | 0 | 0 | 111.8 | S156 L161 S162 P200 F201 | S156-D158 PolarHBondContact O-N 3.38Å; D158-L161 PolarHBondContact O-N 3.16Å; D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.37Å; D158-S162 PolarHBondContact O-OG 3.41Å; D158-P200 HydrophobicContact CB-CB 3.94Å; D158-P200 PolarHBondContact N-O 3.23Å; D158-F201 HydrophobicContact CB-CD1 3.8Å; D158-F201 HydrophobicContact CB-CD2 4.39Å; D158-F201 HydrophobicContact CB-CE1 3.96Å; D158-F201 HydrophobicContact CB-CG 4.02Å; D158-F201 HydrophobicContact CB-CZ 4.32Å; D158-F201 VanDerWaalsContact CG-CZ 3.45Å; D158-F201 VanDerWaalsContact OD1-CZ 3.22Å; D158-F201 WeakPolarHBondContact OD1-CZ 3.25Å; D158-F201 WeakPolarHBondContact OD2-CE1 3.43Å |
| 159 | R | 93.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 39.3 Ų | 39.3 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 175.1 | -175.2 | -172.9 | -164.5 | -170.8 | 11.3 | 111.1 | S156 L161 S162 R163 D363 | S156-R159 WeakPolarHBondContact O-CB 3.36Å; S156-R159 PolarHBondContact O-N 2.93Å; S156-R159 VanDerWaalsContact O-N 3.13Å; S156-R159 WeakPolarHBondContact OG-CB 3.42Å; S156-R159 PolarHBondContact OG-N 2.99Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 2.91Å; R159-S162 PolarHBondContact O-N 2.88Å; R159-R163 WeakPolarHBondContact O-CG 3.48Å; R159-R163 PolarHBondContact O-N 3.28Å; R159-D363 IonicContact CZ-OD2 2.71Å; R159-D363 IonicContact NH1-OD2 3.97Å; R159-D363 PolarHBondContact NH1-OD2 3.35Å; R159-D363 IonicContact NH2-OD1 3.23Å; R159-D363 IonicContact NH2-OD2 2.62Å; R159-D363 PolarHBondContact NH2-OD2 2.06Å |
| 160 | A | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S156 L157 R163 R164 I358 T361 | S156-A160 PolarHBondContact O-N 2.9Å; L157-A160 PolarHBondContact O-N 3.37Å; A160-R163 PolarHBondContact O-N 3.13Å; A160-R164 VanDerWaalsContact O-CG 3.25Å; A160-R164 WeakPolarHBondContact O-CG 3.38Å; A160-R164 PolarHBondContact O-N 3.02Å; A160-R164 VanDerWaalsContact O-N 3.16Å; A160-I358 HydrophobicContact CB-CD1 4.43Å; A160-T361 HydrophobicContact CB-CG2 4.34Å |
| 161 | L | 95.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -44 | 177.1 | -171 | 69 | 0 | 0 | 0 | 112.3 | L157 D158 R159 R163 R164 L273 | L157-L161 VanDerWaalsContact O-CB 3.27Å; L157-L161 WeakPolarHBondContact O-CB 3.36Å; L157-L161 PolarHBondContact O-N 3.21Å; D158-L161 PolarHBondContact O-N 3.16Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 2.91Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.31Å; L161-R164 WeakPolarHBondContact O-CB 3.42Å; L161-R164 PolarHBondContact O-N 2.98Å; L161-R164 VanDerWaalsContact O-N 3.14Å; L161-L273 HydrophobicContact CD2-CD2 4.47Å |
| 162 | S | 93.4 | Very high | 94.7 | Very high | 77 Ų | 77 | 40.1 Ų | 40.1 | 54% | 0.538 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.7 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | D158 R159 R164 G165 | D158-S162 WeakPolarHBondContact O-CB 3.49Å; D158-S162 PolarHBondContact O-N 3.37Å; D158-S162 PolarHBondContact O-OG 3.41Å; R159-S162 PolarHBondContact O-N 2.88Å; S162-R164 PolarHBondContact O-N 3.31Å; S162-G165 PolarHBondContact O-N 3.45Å |
| 163 | R | 93.9 | Very high | 94.8 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 38% | 0.377 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68 | -21.8 | 177.7 | -73.2 | 179 | 175.4 | -150.9 | -12.1 | 113.9 | R159 A160 L161 G165 T361 M362 D363 | R159-R163 WeakPolarHBondContact O-CG 3.48Å; R159-R163 PolarHBondContact O-N 3.28Å; A160-R163 PolarHBondContact O-N 3.13Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.31Å; R163-G165 PolarHBondContact O-N 3.46Å; R163-T361 HydrophobicContact CB-CG2 4.01Å; R163-T361 WeakPolarHBondContact CD-O 3.5Å; R163-T361 PolarHBondContact NH1-O 3.35Å; R163-M362 VanDerWaalsContact NH1-C 3.27Å; R163-M362 PolarHBondContact NH1-O 2.77Å; R163-D363 IonicContact CZ-OD1 3.44Å; R163-D363 IonicContact NH1-OD1 2.85Å; R163-D363 PolarHBondContact NH1-OD1 3.08Å; R163-D363 IonicContact NH2-OD1 3.58Å; R163-D363 PolarHBondContact NH2-OD1 2.89Å; R163-D363 IonicContact NH2-OD2 2.8Å |
| 164 | R | 94.1 | Very high | 95 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.7 | 172.2 | -67.5 | 171.3 | 64.4 | 77.3 | -0.9 | 113.2 | A160 L161 S162 R167 G168 T361 | A160-R164 VanDerWaalsContact O-CG 3.25Å; A160-R164 WeakPolarHBondContact O-CG 3.38Å; A160-R164 PolarHBondContact O-N 3.02Å; A160-R164 VanDerWaalsContact O-N 3.16Å; L161-R164 WeakPolarHBondContact O-CB 3.42Å; L161-R164 PolarHBondContact O-N 2.98Å; L161-R164 VanDerWaalsContact O-N 3.14Å; S162-R164 PolarHBondContact O-N 3.31Å; R164-R167 HydrophobicContact CB-CB 4.34Å; R164-R167 WeakPolarHBondContact CB-O 3.31Å; R164-R167 PolarHBondContact NE-O 3.42Å; R164-R167 WeakPolarHBondContact O-CB 3.33Å; R164-R167 PolarHBondContact O-N 3.14Å; R164-R167 PolarHBondContact O-NE 3.17Å; R164-R167 PolarHBondContact O-NH2 3.09Å; R164-G168 PolarHBondContact NE-O 3.44Å; R164-G168 PolarHBondContact NH2-O 2.68Å; R164-T361 HydrophobicContact CG-CG2 3.86Å |
| 165 | G | 90.5 | Very high | 95.1 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 69% | 0.691 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S162 R163 R167 | S162-G165 PolarHBondContact O-N 3.45Å; R163-G165 PolarHBondContact O-N 3.46Å; G165-R167 PolarHBondContact O-N 3.43Å |
| 166 | G | 82.3 | Confident | 95.3 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 41% | 0.412 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 5.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G168 G276 | G166-G168 PolarHBondContact O-N 3.48Å; G166-G276 WeakPolarHBondContact O-CA 3.43Å |
| 167 | R | 92 | Very high | 95.4 | Very high | 173 Ų | 173 | 36.4 Ų | 36.4 | 65% | 0.653 | 21% | 0.205 | S | C | * | . | trans | -76.1 | 115.1 | 166.9 | -66.9 | -176.5 | -66.8 | -119.6 | -0.7 | 109.1 | R164 G165 | R164-R167 HydrophobicContact CB-CB 4.34Å; R164-R167 WeakPolarHBondContact CB-O 3.31Å; R164-R167 PolarHBondContact NE-O 3.42Å; R164-R167 WeakPolarHBondContact O-CB 3.33Å; R164-R167 PolarHBondContact O-N 3.14Å; R164-R167 PolarHBondContact O-NE 3.17Å; R164-R167 PolarHBondContact O-NH2 3.09Å; G165-R167 PolarHBondContact O-N 3.43Å | ||
| 168 | G | 96.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 168.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R164 G166 L273 Y274 | R164-G168 PolarHBondContact NE-O 3.44Å; R164-G168 PolarHBondContact NH2-O 2.68Å; G166-G168 PolarHBondContact O-N 3.48Å; G168-L273 CarbonylContact C-O 3.5Å; G168-L273 WeakPolarHBondContact CA-O 3.18Å; G168-Y274 WeakPolarHBondContact CA-O 3.37Å |
| 169 | L | 97.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 142.3 | 176.4 | -57.5 | -166.8 | 0 | 0 | 0 | 110.2 | L174 L273 V357 | L169-L174 HydrophobicContact CB-CD2 3.81Å; L169-L174 HydrophobicContact CB-CG 3.88Å; L169-L174 HydrophobicContact CD1-CD2 4.31Å; L169-L174 HydrophobicContact CG-CD2 4.44Å; L169-L174 WeakPolarHBondContact O-CD1 3.38Å; L169-L273 HydrophobicContact CD1-CB 4.27Å; L169-L273 HydrophobicContact CD1-CD2 4.17Å; L169-L273 HydrophobicContact CG-CB 4.33Å; L169-L273 PolarHBondContact N-O 2.89Å; L169-V357 HydrophobicContact CD2-CG1 3.75Å |
| 170 | P | 97.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -66.4 | 150.3 | 172.9 | 31.1 | -36.2 | 0 | 0 | 0 | 110.5 | A173 L174 V353 V357 | P170-A173 HydrophobicContact CG-CB 4.04Å; P170-A173 WeakPolarHBondContact O-CB 3.3Å; P170-A173 PolarHBondContact O-N 2.87Å; P170-L174 PolarHBondContact O-N 3.4Å; P170-L174 VanDerWaalsContact O-N 3.08Å; P170-V353 HydrophobicContact CB-CG1 4.17Å; P170-V353 HydrophobicContact CG-CG1 3.36Å; P170-V357 HydrophobicContact CG-CG2 4.16Å |
| 171 | E | 98.4 | Very high | 96.1 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.4 | -40.4 | -175 | -65.5 | -164 | -177.7 | 0 | 0 | 115.4 | A173 L174 A175 A311 S312 L315 F341 | E171-A173 PolarHBondContact O-N 3.19Å; E171-L174 WeakPolarHBondContact O-CB 3.45Å; E171-L174 PolarHBondContact O-N 2.85Å; E171-L174 VanDerWaalsContact O-N 3.08Å; E171-A175 WeakPolarHBondContact O-CB 3.38Å; E171-A175 PolarHBondContact O-N 3.38Å; E171-A311 VanDerWaalsContact OE1-CA 3.26Å; E171-A311 WeakPolarHBondContact OE1-CA 3.48Å; E171-S312 VanDerWaalsContact CD-OG 3.32Å; E171-S312 PolarHBondContact OE1-N 3.36Å; E171-S312 PolarHBondContact OE1-OG 2.86Å; E171-S312 WeakPolarHBondContact OE2-CB 3.31Å; E171-S312 PolarHBondContact OE2-OG 3.33Å; E171-L315 HydrophobicContact CG-CD2 4.09Å; E171-L315 WeakPolarHBondContact OE1-CD2 3.4Å; E171-F341 HydrophobicContact CB-CE2 4.3Å |
| 172 | P | 98.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 29% | 0.286 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.1 | -39.2 | 175.9 | -26.9 | 35.7 | 0 | 0 | 0 | 112.7 | E176 E349 S350 V353 | P172-E176 PolarHBondContact O-N 3.31Å; P172-E349 HydrophobicContact CB-CG 4.46Å; P172-S350 WeakPolarHBondContact CA-OG 3.38Å; P172-S350 WeakPolarHBondContact O-CA 3.14Å; P172-S350 WeakPolarHBondContact O-CB 3.48Å; P172-S350 PolarHBondContact O-OG 2.88Å; P172-V353 HydrophobicContact CB-CB 4.17Å; P172-V353 HydrophobicContact CB-CG1 4.4Å; P172-V353 HydrophobicContact CB-CG2 4.2Å |
| 173 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P170 E171 A175 E176 V177 V353 L354 | P170-A173 HydrophobicContact CG-CB 4.04Å; P170-A173 WeakPolarHBondContact O-CB 3.3Å; P170-A173 PolarHBondContact O-N 2.87Å; E171-A173 PolarHBondContact O-N 3.19Å; A173-A175 VanDerWaalsContact C-N 3.33Å; A173-A175 PolarHBondContact O-N 3.08Å; A173-E176 PolarHBondContact O-N 3.5Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.79Å; A173-V353 HydrophobicContact CB-CG1 4.2Å; A173-L354 HydrophobicContact CB-CB 4Å; A173-L354 HydrophobicContact CB-CD1 4.05Å |
| 174 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 175.8 | -70.1 | 170.8 | 0 | 0 | 0 | 112.4 | L169 P170 E171 E176 V177 A178 L273 Y274 F341 | L169-L174 HydrophobicContact CB-CD2 3.81Å; L169-L174 HydrophobicContact CB-CG 3.88Å; L169-L174 HydrophobicContact CD1-CD2 4.31Å; L169-L174 HydrophobicContact CG-CD2 4.44Å; L169-L174 WeakPolarHBondContact O-CD1 3.38Å; P170-L174 PolarHBondContact O-N 3.4Å; P170-L174 VanDerWaalsContact O-N 3.08Å; E171-L174 WeakPolarHBondContact O-CB 3.45Å; E171-L174 PolarHBondContact O-N 2.85Å; E171-L174 VanDerWaalsContact O-N 3.08Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 2.92Å; L174-V177 PolarHBondContact O-N 2.99Å; L174-A178 VanDerWaalsContact O-CB 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.08Å; L174-A178 PolarHBondContact O-N 3.35Å; L174-L273 HydrophobicContact CD2-CB 3.43Å; L174-L273 VanDerWaalsContact CD2-CB 3.43Å; L174-L273 HydrophobicContact CD2-CD1 4.42Å; L174-Y274 HydrophobicContact CD1-CD2 3.78Å; L174-Y274 HydrophobicContact CD1-CG 4.17Å; L174-F341 HydrophobicContact CB-CE1 4.43Å; L174-F341 HydrophobicContact CB-CZ 3.85Å |
| 175 | A | 98.7 | Very high | 97 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E171 A173 A179 F341 R345 | E171-A175 WeakPolarHBondContact O-CB 3.38Å; E171-A175 PolarHBondContact O-N 3.38Å; A173-A175 VanDerWaalsContact C-N 3.33Å; A173-A175 PolarHBondContact O-N 3.08Å; A175-A179 VanDerWaalsContact O-CB 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.27Å; A175-A179 PolarHBondContact O-N 3.23Å; A175-F341 HydrophobicContact CB-CE1 4.13Å; A175-F341 HydrophobicContact CB-CE2 4.29Å; A175-F341 HydrophobicContact CB-CZ 3.99Å; A175-F341 WeakPolarHBondContact CB-O 3.27Å; A175-R345 HydrophobicContact CB-CB 3.99Å; A175-R345 HydrophobicContact CB-CG 4.45Å |
| 176 | E | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.7 | -42.2 | 174.9 | -168.2 | 63.2 | -171.3 | 0 | 0 | 112.2 | P172 A173 L174 A178 A179 A180 R345 R351 L354 | P172-E176 PolarHBondContact O-N 3.31Å; A173-E176 PolarHBondContact O-N 3.5Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 2.92Å; E176-A178 PolarHBondContact O-N 3.39Å; E176-A179 PolarHBondContact O-N 3.34Å; E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.12Å; E176-R345 IonicContact OE1-NH2 2.89Å; E176-R345 IonicContact OE2-CZ 2.74Å; E176-R345 VanDerWaalsContact OE2-CZ 3.23Å; E176-R345 IonicContact OE2-NE 3.8Å; E176-R345 PolarHBondContact OE2-NE 3.45Å; E176-R345 IonicContact OE2-NH2 3.33Å; E176-R345 PolarHBondContact OE2-NH2 2.64Å; E176-R351 HydrophobicContact CG-CG 3.97Å; E176-R351 WeakPolarHBondContact OE1-CG 3.34Å; E176-R351 IonicContact OE1-CZ 2.7Å; E176-R351 IonicContact OE1-NE 2.68Å; E176-R351 PolarHBondContact OE1-NE 3.47Å; E176-R351 IonicContact OE1-NH2 2.83Å; E176-R351 PolarHBondContact OE1-NH2 3.46Å; E176-L354 HydrophobicContact CB-CD2 3.93Å; E176-L354 HydrophobicContact CG-CD2 3.73Å |
| 177 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 175 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L157 A173 L174 A180 C181 I211 L273 L354 | L157-V177 HydrophobicContact CD1-CB 4.35Å; L157-V177 HydrophobicContact CD1-CG1 3.56Å; L157-V177 HydrophobicContact CD1-CG2 3.76Å; A173-V177 WeakPolarHBondContact O-CG2 3.39Å; A173-V177 PolarHBondContact O-N 2.79Å; L174-V177 PolarHBondContact O-N 2.99Å; V177-A180 PolarHBondContact O-N 2.8Å; V177-C181 WeakPolarHBondContact O-CB 3.34Å; V177-C181 PolarHBondContact O-N 3.33Å; V177-C181 PolarHBondContact O-SG 3.06Å; V177-I211 HydrophobicContact CG2-CD1 4.14Å; V177-I211 HydrophobicContact CG2-CG1 4.11Å; V177-L273 HydrophobicContact CG1-CD1 4.15Å; V177-L354 HydrophobicContact CG2-CD1 3.95Å; V177-L354 HydrophobicContact CG2-CD2 4.29Å |
| 178 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L174 E176 C181 L182 V270 F318 F341 V342 | L174-A178 VanDerWaalsContact O-CB 3.29Å; L174-A178 WeakPolarHBondContact O-CB 3.08Å; L174-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 3.39Å; A178-C181 PolarHBondContact O-N 2.82Å; A178-L182 WeakPolarHBondContact O-CB 3.38Å; A178-L182 WeakPolarHBondContact O-CD1 3.33Å; A178-L182 WeakPolarHBondContact O-CG 3.26Å; A178-L182 PolarHBondContact O-N 3.29Å; A178-V270 HydrophobicContact CB-CG2 4.2Å; A178-F318 HydrophobicContact CB-CE1 4.22Å; A178-F318 HydrophobicContact CB-CZ 3.95Å; A178-F341 HydrophobicContact CB-CE1 4.27Å; A178-V342 HydrophobicContact CB-CG2 4.1Å |
| 179 | A | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 7% | 0.074 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A175 E176 L182 A183 V342 | A175-A179 VanDerWaalsContact O-CB 3.3Å; A175-A179 WeakPolarHBondContact O-CB 3.27Å; A175-A179 PolarHBondContact O-N 3.23Å; E176-A179 PolarHBondContact O-N 3.34Å; A179-L182 PolarHBondContact O-N 3.05Å; A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 3.01Å; A179-V342 HydrophobicContact CB-CG1 3.81Å |
| 180 | A | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H130 E176 V177 L182 A183 A184 I211 | H130-A180 HydrophobicContact CB-CB 4.5Å; H130-A180 WeakPolarHBondContact CB-O 3.35Å; H130-A180 WeakPolarHBondContact ND1-CB 3.38Å; E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.12Å; V177-A180 PolarHBondContact O-N 2.8Å; A180-L182 PolarHBondContact O-N 2.74Å; A180-A183 PolarHBondContact O-N 3.35Å; A180-A184 PolarHBondContact O-N 3.22Å; A180-I211 HydrophobicContact CB-CB 3.62Å; A180-I211 HydrophobicContact CB-CG2 3.8Å |
| 181 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.6 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | V177 A178 A184 L185 I213 L266 | V177-C181 WeakPolarHBondContact O-CB 3.34Å; V177-C181 PolarHBondContact O-N 3.33Å; V177-C181 PolarHBondContact O-SG 3.06Å; A178-C181 PolarHBondContact O-N 2.82Å; C181-A184 WeakPolarHBondContact O-CB 3.32Å; C181-A184 PolarHBondContact O-N 2.8Å; C181-L185 WeakPolarHBondContact O-CB 3.49Å; C181-L185 VanDerWaalsContact O-CG 3.28Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 2.71Å; C181-I213 HydrophobicContact CB-CD1 4.3Å; C181-L266 HydrophobicContact CB-CD1 3.66Å; C181-L266 HydrophobicContact CB-CD2 4.47Å |
| 182 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 176.4 | -72.8 | 167.2 | 0 | 0 | 0 | 112.3 | A178 A179 A180 L185 R186 L266 F318 V333 L336 L337 V342 | A178-L182 WeakPolarHBondContact O-CB 3.38Å; A178-L182 WeakPolarHBondContact O-CD1 3.33Å; A178-L182 WeakPolarHBondContact O-CG 3.26Å; A178-L182 PolarHBondContact O-N 3.29Å; A179-L182 PolarHBondContact O-N 3.05Å; A180-L182 PolarHBondContact O-N 2.74Å; L182-L185 PolarHBondContact O-N 2.99Å; L182-R186 WeakPolarHBondContact O-CB 3.49Å; L182-R186 PolarHBondContact O-N 3.31Å; L182-L266 HydrophobicContact CD2-CD2 3.58Å; L182-L266 HydrophobicContact CG-CD2 3.79Å; L182-F318 HydrophobicContact CD1-CE2 3.92Å; L182-F318 HydrophobicContact CD1-CZ 4.05Å; L182-V333 HydrophobicContact CB-CG1 4.37Å; L182-V333 HydrophobicContact CD2-CB 4.47Å; L182-V333 HydrophobicContact CD2-CG1 4.02Å; L182-V333 VanDerWaalsContact O-CG1 3.27Å; L182-V333 WeakPolarHBondContact O-CG1 3.47Å; L182-L336 HydrophobicContact CD1-CB 3.84Å; L182-L336 HydrophobicContact CD2-CB 3.61Å; L182-L336 HydrophobicContact CD2-CD1 3.93Å; L182-L336 HydrophobicContact CD2-CG 4.44Å; L182-L336 HydrophobicContact CG-CB 4.4Å; L182-L337 HydrophobicContact CB-CD2 3.57Å; L182-L337 HydrophobicContact CB-CG 3.92Å; L182-L337 HydrophobicContact CD1-CD2 4.36Å; L182-V342 HydrophobicContact CD1-CG1 4.36Å; L182-V342 HydrophobicContact CD1-CG2 3.89Å |
| 183 | A | 98.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 19.7 Ų | 19.7 | 15% | 0.149 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A179 A180 R186 G187 | A179-A183 WeakPolarHBondContact O-CB 3.46Å; A179-A183 PolarHBondContact O-N 3.01Å; A180-A183 PolarHBondContact O-N 3.35Å; A183-R186 PolarHBondContact O-N 3.02Å; A183-G187 PolarHBondContact O-N 3.28Å; A183-G187 VanDerWaalsContact O-N 3.13Å |
| 184 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.9 | -52.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H130 V131 A180 C181 R186 G187 L188 I213 | H130-A184 HydrophobicContact CB-CB 3.81Å; H130-A184 WeakPolarHBondContact O-CB 3.45Å; V131-A184 HydrophobicContact CG2-CB 4.1Å; A180-A184 PolarHBondContact O-N 3.22Å; C181-A184 WeakPolarHBondContact O-CB 3.32Å; C181-A184 PolarHBondContact O-N 2.8Å; A184-R186 VanDerWaalsContact C-N 3.31Å; A184-R186 PolarHBondContact O-N 3.44Å; A184-G187 CarbonylContact O-C 3.44Å; A184-G187 WeakPolarHBondContact O-CA 3.25Å; A184-G187 PolarHBondContact O-N 2.85Å; A184-L188 WeakPolarHBondContact O-CG 2.83Å; A184-L188 PolarHBondContact O-N 2.82Å; A184-I213 HydrophobicContact CB-CD1 3.61Å; A184-I213 HydrophobicContact CB-CG1 4.14Å |
| 185 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.3 | -40.4 | 179.8 | -72.2 | 179.5 | 0 | 0 | 0 | 112.1 | C181 L182 G187 L188 H189 L198 D262 L266 V333 | C181-L185 WeakPolarHBondContact O-CB 3.49Å; C181-L185 VanDerWaalsContact O-CG 3.28Å; C181-L185 WeakPolarHBondContact O-CG 3.45Å; C181-L185 PolarHBondContact O-N 2.71Å; L182-L185 PolarHBondContact O-N 2.99Å; L185-G187 VanDerWaalsContact C-N 3.3Å; L185-G187 PolarHBondContact O-N 2.76Å; L185-L188 HydrophobicContact CD2-CD1 4.23Å; L185-L188 PolarHBondContact O-N 3.1Å; L185-H189 VanDerWaalsContact O-CB 3.24Å; L185-H189 WeakPolarHBondContact O-CB 3.5Å; L185-H189 PolarHBondContact O-CD2 2.62Å; L185-H189 PolarHBondContact O-N 3.34Å; L185-L198 HydrophobicContact CD1-CD2 4.11Å; L185-L198 HydrophobicContact CD2-CD2 4.35Å; L185-L198 HydrophobicContact CG-CD2 4.45Å; L185-D262 HydrophobicContact CD1-CB 4.2Å; L185-D262 HydrophobicContact CD2-CB 3.72Å; L185-L266 HydrophobicContact CD1-CD2 4.14Å; L185-V333 HydrophobicContact CB-CG1 4.33Å; L185-V333 HydrophobicContact CB-CG2 3.97Å; L185-V333 HydrophobicContact CD1-CG2 4.42Å |
| 186 | R | 98.6 | Very high | 97.8 | Very high | 142 Ų | 142 | 19.6 Ų | 19.6 | 54% | 0.536 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -57.9 | -46.1 | 173.3 | 179.7 | 178.4 | 62.3 | 180 | -0 | 110.7 | L182 A183 A184 S190 V333 L337 | L182-R186 WeakPolarHBondContact O-CB 3.49Å; L182-R186 PolarHBondContact O-N 3.31Å; A183-R186 PolarHBondContact O-N 3.02Å; A184-R186 VanDerWaalsContact C-N 3.31Å; A184-R186 PolarHBondContact O-N 3.44Å; R186-S190 VanDerWaalsContact O-CB 3.3Å; R186-S190 WeakPolarHBondContact O-CB 3.45Å; R186-S190 PolarHBondContact O-N 3.29Å; R186-S190 PolarHBondContact O-OG 3.33Å; R186-V333 HydrophobicContact CB-CG1 3.84Å; R186-L337 HydrophobicContact CB-CD1 4.31Å |
| 187 | G | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 10% | 0.103 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.9 | -53.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A183 A184 L185 H189 S190 R191 | A183-G187 PolarHBondContact O-N 3.28Å; A183-G187 VanDerWaalsContact O-N 3.13Å; A184-G187 CarbonylContact O-C 3.44Å; A184-G187 WeakPolarHBondContact O-CA 3.25Å; A184-G187 PolarHBondContact O-N 2.85Å; L185-G187 VanDerWaalsContact C-N 3.3Å; L185-G187 PolarHBondContact O-N 2.76Å; G187-H189 PolarHBondContact O-N 2.97Å; G187-S190 PolarHBondContact O-N 2.95Å; G187-S190 PolarHBondContact O-OG 3.5Å; G187-R191 WeakPolarHBondContact O-CG 3.23Å; G187-R191 PolarHBondContact O-N 2.96Å |
| 188 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.7 | -52.8 | 178.4 | -63 | -179.6 | 0 | 0 | 0 | 111.5 | V125 L128 V131 A184 L185 S190 R191 G192 V193 H195 F216 | V125-L188 HydrophobicContact CB-CD2 3.83Å; V125-L188 HydrophobicContact CG1-CD2 3.25Å; L128-L188 HydrophobicContact CD1-CD2 3.8Å; L128-L188 HydrophobicContact CD1-CG 4.43Å; V131-L188 HydrophobicContact CG2-CD2 4.26Å; A184-L188 WeakPolarHBondContact O-CG 2.83Å; A184-L188 PolarHBondContact O-N 2.82Å; L185-L188 HydrophobicContact CD2-CD1 4.23Å; L185-L188 PolarHBondContact O-N 3.1Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 2.83Å; L188-R191 CarbonylContact O-C 3.47Å; L188-R191 WeakPolarHBondContact O-CA 3.43Å; L188-R191 PolarHBondContact O-N 3.34Å; L188-G192 PolarHBondContact O-N 3.49Å; L188-V193 CarbonylContact C-O 3.56Å; L188-V193 HydrophobicContact CB-CB 4.33Å; L188-V193 HydrophobicContact CD2-CG1 4.3Å; L188-V193 PolarHBondContact O-N 3.41Å; L188-H195 HydrophobicContact CD1-CB 4.24Å; L188-F216 HydrophobicContact CD1-CE1 3.87Å; L188-F216 HydrophobicContact CD1-CZ 4.26Å; L188-F216 HydrophobicContact CD2-CE1 3.57Å; L188-F216 HydrophobicContact CD2-CZ 3.94Å; L188-F216 HydrophobicContact CG-CE1 4.39Å |
| 189 | H | 97.3 | Very high | 97.4 | Very high | 16 Ų | 16 | 20.8 Ų | 20.8 | 7% | 0.074 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64 | -34.5 | -175.5 | -68.8 | -175.2 | 0 | 0 | 0 | 112.2 | L185 G187 R191 G192 V193 R259 D262 | L185-H189 VanDerWaalsContact O-CB 3.24Å; L185-H189 WeakPolarHBondContact O-CB 3.5Å; L185-H189 PolarHBondContact O-CD2 2.62Å; L185-H189 PolarHBondContact O-N 3.34Å; G187-H189 PolarHBondContact O-N 2.97Å; H189-R191 VanDerWaalsContact C-N 3.27Å; H189-R191 PolarHBondContact O-N 2.84Å; H189-G192 PolarHBondContact O-N 3.13Å; H189-V193 PolarHBondContact CD2-O 2.97Å; H189-V193 PolarHBondContact N-O 2.87Å; H189-R259 HydrophobicContact CB-CG 4.16Å; H189-R259 VanDerWaalsContact CE1-CB 3.5Å; H189-R259 WeakPolarHBondContact CE1-CB 3.46Å; H189-R259 PolarHBondContact CE1-O 3.32Å; H189-R259 PolarHBondContact O-NH2 3.47Å; H189-R259 VanDerWaalsContact O-NH2 3.12Å; H189-D262 IonicContact CD2-OD2 3.51Å; H189-D262 IonicContact CE1-OD2 2.84Å; H189-D262 IonicContact NE2-OD2 2.72Å; H189-D262 PolarHBondContact NE2-OD2 3.23Å |
| 190 | S | 96.3 | Very high | 97.3 | Very high | 93 Ų | 93 | 20.3 Ų | 20.3 | 65% | 0.65 | 11% | 0.105 | S | C | * | . | H | α-helix | trans | -66.2 | -28.9 | 174.6 | 77.3 | 0 | 0 | 0 | 0 | 112.9 | R186 G187 L188 G192 | R186-S190 VanDerWaalsContact O-CB 3.3Å; R186-S190 WeakPolarHBondContact O-CB 3.45Å; R186-S190 PolarHBondContact O-N 3.29Å; R186-S190 PolarHBondContact O-OG 3.33Å; G187-S190 PolarHBondContact O-N 2.95Å; G187-S190 PolarHBondContact O-OG 3.5Å; L188-S190 VanDerWaalsContact C-N 3.28Å; L188-S190 PolarHBondContact O-N 2.83Å; S190-G192 VanDerWaalsContact C-N 3.33Å |
| 191 | R | 96.2 | Very high | 97.1 | Very high | 96 Ų | 96 | 24.3 Ų | 24.3 | 36% | 0.362 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 12.2 | 176.3 | -58.5 | -170 | -173.6 | -178.3 | 2.2 | 112.9 | R124 E126 L128 G187 L188 H189 V193 | R124-R191 WeakPolarHBondContact O-CD 3.4Å; R124-R191 PolarHBondContact O-NH1 2.89Å; E126-R191 PolarHBondContact O-NH1 3.4Å; E126-R191 PolarHBondContact O-NH2 3.02Å; L128-R191 VanDerWaalsContact CD2-CZ 3.44Å; G187-R191 WeakPolarHBondContact O-CG 3.23Å; G187-R191 PolarHBondContact O-N 2.96Å; L188-R191 CarbonylContact O-C 3.47Å; L188-R191 WeakPolarHBondContact O-CA 3.43Å; L188-R191 PolarHBondContact O-N 3.34Å; H189-R191 VanDerWaalsContact C-N 3.27Å; H189-R191 PolarHBondContact O-N 2.84Å; R191-V193 VanDerWaalsContact C-N 3.28Å; R191-V193 PolarHBondContact O-N 3Å |
| 192 | G | 95.1 | Very high | 97 | Very high | 15 Ų | 15 | 25.4 Ų | 25.4 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 21.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L188 H189 S190 I221 I222 | L188-G192 PolarHBondContact O-N 3.49Å; H189-G192 PolarHBondContact O-N 3.13Å; S190-G192 VanDerWaalsContact C-N 3.33Å; G192-I221 CarbonylContact O-C 3.59Å; G192-I221 WeakPolarHBondContact O-CA 3.27Å; G192-I222 PolarHBondContact O-N 3.22Å |
| 193 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139.7 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | V121 R124 V125 L188 H189 R191 A219 K220 I221 | V121-V193 HydrophobicContact CG1-CG1 3.83Å; R124-V193 HydrophobicContact CB-CG2 3.95Å; V125-V193 HydrophobicContact CG1-CB 4.19Å; V125-V193 HydrophobicContact CG1-CG1 4.02Å; V125-V193 HydrophobicContact CG1-CG2 3.99Å; L188-V193 CarbonylContact C-O 3.56Å; L188-V193 HydrophobicContact CB-CB 4.33Å; L188-V193 HydrophobicContact CD2-CG1 4.3Å; L188-V193 PolarHBondContact O-N 3.41Å; H189-V193 PolarHBondContact CD2-O 2.97Å; H189-V193 PolarHBondContact N-O 2.87Å; R191-V193 VanDerWaalsContact C-N 3.28Å; R191-V193 PolarHBondContact O-N 3Å; V193-A219 HydrophobicContact CG1-CB 4.41Å; V193-K220 WeakPolarHBondContact CA-O 3.44Å; V193-I221 HydrophobicContact CG2-CG1 4.37Å |
| 194 | V | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142 | 167.2 | -71.8 | 0 | 0 | 0 | 0 | 109.2 | L196 A219 K220 I222 A258 R259 D262 | V194-L196 HydrophobicContact CB-CD2 4.21Å; V194-L196 HydrophobicContact CB-CG 4.26Å; V194-L196 HydrophobicContact CG2-CD1 4.07Å; V194-L196 HydrophobicContact CG2-CD2 4.03Å; V194-L196 HydrophobicContact CG2-CG 3.88Å; V194-A219 CarbonylContact O-C 3.46Å; V194-A219 VanDerWaalsContact O-CA 3.23Å; V194-A219 WeakPolarHBondContact O-CA 3.34Å; V194-A219 VanDerWaalsContact O-CB 3.31Å; V194-A219 WeakPolarHBondContact O-CB 3.27Å; V194-K220 HydrophobicContact CG2-CB 4.11Å; V194-K220 WeakPolarHBondContact CG2-O 3.3Å; V194-K220 PolarHBondContact N-O 3.15Å; V194-K220 PolarHBondContact O-N 2.83Å; V194-I222 HydrophobicContact CG1-CD1 3.68Å; V194-I222 HydrophobicContact CG1-CG1 4.26Å; V194-I222 HydrophobicContact CG2-CG1 4.42Å; V194-A258 HydrophobicContact CG1-CB 3.95Å; V194-A258 HydrophobicContact CG2-CB 4.24Å; V194-R259 HydrophobicContact CG1-CG 3.92Å; V194-D262 WeakPolarHBondContact CA-OD2 3.42Å |
| 195 | H | 97 | Very high | 97 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -81.8 | -44.6 | -172.7 | -168.3 | -78.3 | 0 | 0 | 0 | 112.3 | L188 H197 L198 I213 C214 D215 F216 A219 D262 | L188-H195 HydrophobicContact CD1-CB 4.24Å; H195-H197 PolarHBondContact ND1-N 2.87Å; H195-H197 PolarHBondContact O-N 2.87Å; H195-L198 PolarHBondContact ND1-N 3.35Å; H195-L198 VanDerWaalsContact ND1-N 3.17Å; H195-I213 VanDerWaalsContact CD2-CG2 3.43Å; H195-I213 WeakPolarHBondContact CD2-CG2 3.31Å; H195-I213 WeakPolarHBondContact NE2-CG2 3.47Å; H195-C214 PolarHBondContact CE1-O 3.4Å; H195-C214 PolarHBondContact NE2-O 3.01Å; H195-D215 PolarHBondContact CE1-O 3.39Å; H195-D215 PolarHBondContact NE2-O 2.89Å; H195-D215 VanDerWaalsContact NE2-O 3.1Å; H195-F216 AromaticContact CD2-CE1 3.69Å; H195-F216 AromaticContact CD2-CZ 3.97Å; H195-A219 WeakPolarHBondContact O-CA 3.42Å; H195-D262 PolarHBondContact N-OD1 3.4Å; H195-D262 PolarHBondContact N-OD2 3.41Å | ||
| 196 | L | 94.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 61.6 | -11.3 | 179.4 | -54.2 | 179.9 | 0 | 0 | 0 | 116.5 | V194 K220 R246 A261 D262 | V194-L196 HydrophobicContact CB-CD2 4.21Å; V194-L196 HydrophobicContact CB-CG 4.26Å; V194-L196 HydrophobicContact CG2-CD1 4.07Å; V194-L196 HydrophobicContact CG2-CD2 4.03Å; V194-L196 HydrophobicContact CG2-CG 3.88Å; L196-K220 HydrophobicContact CD1-CB 4.31Å; L196-K220 HydrophobicContact CD1-CG 3.75Å; L196-R246 PolarHBondContact O-NH1 3.39Å; L196-A261 HydrophobicContact CD2-CB 4.26Å; L196-D262 PolarHBondContact N-OD1 2.72Å |
| 197 | H | 94.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 21.9 Ų | 21.9 | 15% | 0.148 | 12% | 0.12 | C | C | . | . | trans | -127.8 | 33.4 | 177.4 | -157.4 | 172.3 | 0 | 0 | 0 | 114.5 | H195 N199 H202 D218 G237 S238 | H195-H197 PolarHBondContact ND1-N 2.87Å; H195-H197 PolarHBondContact O-N 2.87Å; H197-N199 PolarHBondContact CD2-ND2 3.02Å; H197-N199 PolarHBondContact NE2-ND2 3.17Å; H197-N199 PolarHBondContact O-N 3.34Å; H197-H202 AromaticContact CD2-CE1 3.75Å; H197-H202 AromaticContact CD2-ND1 3.8Å; H197-H202 AromaticContact CE1-CE1 3.51Å; H197-H202 AromaticContact CG-CE1 3.57Å; H197-H202 AromaticContact CG-ND1 3.65Å; H197-H202 AromaticContact ND1-CE1 3.4Å; H197-H202 PolarHBondContact ND1-CE1 3.3Å; H197-H202 AromaticContact ND1-ND1 3.96Å; H197-H202 AromaticContact NE2-CE1 3.7Å; H197-H202 PolarHBondContact O-ND1 2.81Å; H197-D218 HydrophobicContact CB-CB 4.03Å; H197-D218 IonicContact CE1-OD2 3.58Å; H197-D218 IonicContact CG-OD2 3.4Å; H197-D218 IonicContact ND1-OD2 3.65Å; H197-D218 PolarHBondContact ND1-OD2 3.3Å; H197-D218 VanDerWaalsContact ND1-OD2 3.11Å; H197-G237 VanDerWaalsContact CD2-CA 3.45Å; H197-G237 WeakPolarHBondContact CD2-CA 3.35Å; H197-S238 PolarHBondContact CD2-N 3.31Å; H197-S238 PolarHBondContact NE2-N 3.16Å; H197-S238 PolarHBondContact NE2-OG 3.36Å | ||
| 198 | L | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -73.5 | 122.5 | 179.4 | -176.9 | 61.6 | 0 | 0 | 0 | 111 | L185 H195 I203 I213 S265 L266 | L185-L198 HydrophobicContact CD1-CD2 4.11Å; L185-L198 HydrophobicContact CD2-CD2 4.35Å; L185-L198 HydrophobicContact CG-CD2 4.45Å; H195-L198 PolarHBondContact ND1-N 3.35Å; H195-L198 VanDerWaalsContact ND1-N 3.17Å; L198-I203 HydrophobicContact CD1-CD1 4.06Å; L198-I203 HydrophobicContact CD1-CG1 3.82Å; L198-I213 HydrophobicContact CD1-CD1 3.67Å; L198-I213 HydrophobicContact CD1-CG1 3.82Å; L198-I213 HydrophobicContact CD1-CG2 3.92Å; L198-I213 HydrophobicContact CD2-CD1 4.25Å; L198-S265 WeakPolarHBondContact O-CB 3.34Å; L198-L266 HydrophobicContact CD2-CB 3.99Å; L198-L266 HydrophobicContact CD2-CD1 4.27Å | ||
| 199 | N | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -161 | 174 | 176.9 | 65.7 | 46.4 | 0 | 0 | 0 | 110.4 | H197 F201 H202 I203 Y241 T269 | H197-N199 PolarHBondContact CD2-ND2 3.02Å; H197-N199 PolarHBondContact NE2-ND2 3.17Å; H197-N199 PolarHBondContact O-N 3.34Å; N199-F201 PolarHBondContact O-N 3.1Å; N199-F201 VanDerWaalsContact O-N 3.15Å; N199-F201 WeakPolarHBondContact OD1-CA 3.44Å; N199-F201 WeakPolarHBondContact OD1-CB 3.49Å; N199-F201 WeakPolarHBondContact OD1-CD2 3.23Å; N199-F201 PolarHBondContact OD1-N 3.5Å; N199-H202 PolarHBondContact O-N 3.11Å; N199-H202 PolarHBondContact OD1-N 3.4Å; N199-I203 PolarHBondContact O-N 2.88Å; N199-Y241 HydrophobicContact CB-CD1 3.72Å; N199-Y241 HydrophobicContact CB-CD2 3.99Å; N199-Y241 HydrophobicContact CB-CE1 3.66Å; N199-Y241 HydrophobicContact CB-CE2 3.91Å; N199-Y241 HydrophobicContact CB-CG 3.88Å; N199-T269 WeakPolarHBondContact CA-OG1 3.33Å |
| 200 | P | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.6 | -24.2 | 179.1 | -29.8 | 37.8 | 0 | 0 | 0 | 116.7 | L157 D158 H202 T269 L273 | L157-P200 PolarHBondContact N-O 3.32Å; D158-P200 HydrophobicContact CB-CB 3.94Å; D158-P200 PolarHBondContact N-O 3.23Å; P200-H202 VanDerWaalsContact C-N 3.26Å; P200-T269 HydrophobicContact CG-CG2 3.99Å; P200-L273 HydrophobicContact CB-CD2 4.09Å; P200-L273 HydrophobicContact CG-CD2 4.08Å; P200-L273 HydrophobicContact CG-CG 4.14Å |
| 201 | F | 95.2 | Very high | 96.5 | Very high | 85 Ų | 85 | 25.1 Ų | 25.1 | 37% | 0.373 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -70.8 | -28.3 | 175.7 | -58.7 | -92.8 | 0 | 0 | 0 | 111.4 | D158 N199 | D158-F201 HydrophobicContact CB-CD1 3.8Å; D158-F201 HydrophobicContact CB-CD2 4.39Å; D158-F201 HydrophobicContact CB-CE1 3.96Å; D158-F201 HydrophobicContact CB-CG 4.02Å; D158-F201 HydrophobicContact CB-CZ 4.32Å; D158-F201 VanDerWaalsContact CG-CZ 3.45Å; D158-F201 VanDerWaalsContact OD1-CZ 3.22Å; D158-F201 WeakPolarHBondContact OD1-CZ 3.25Å; D158-F201 WeakPolarHBondContact OD2-CE1 3.43Å; N199-F201 PolarHBondContact O-N 3.1Å; N199-F201 VanDerWaalsContact O-N 3.15Å; N199-F201 WeakPolarHBondContact OD1-CA 3.44Å; N199-F201 WeakPolarHBondContact OD1-CB 3.49Å; N199-F201 WeakPolarHBondContact OD1-CD2 3.23Å; N199-F201 PolarHBondContact OD1-N 3.5Å |
| 202 | H | 97.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 22.8 Ų | 22.8 | 11% | 0.111 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -105.2 | 15.7 | -174.7 | -61.4 | 159.3 | 0 | 0 | 0 | 113.8 | H197 N199 P200 I213 C214 D215 | H197-H202 AromaticContact CD2-CE1 3.75Å; H197-H202 AromaticContact CD2-ND1 3.8Å; H197-H202 AromaticContact CE1-CE1 3.51Å; H197-H202 AromaticContact CG-CE1 3.57Å; H197-H202 AromaticContact CG-ND1 3.65Å; H197-H202 AromaticContact ND1-CE1 3.4Å; H197-H202 PolarHBondContact ND1-CE1 3.3Å; H197-H202 AromaticContact ND1-ND1 3.96Å; H197-H202 AromaticContact NE2-CE1 3.7Å; H197-H202 PolarHBondContact O-ND1 2.81Å; N199-H202 PolarHBondContact O-N 3.11Å; N199-H202 PolarHBondContact OD1-N 3.4Å; P200-H202 VanDerWaalsContact C-N 3.26Å; H202-I213 WeakPolarHBondContact O-CA 3.37Å; H202-C214 VanDerWaalsContact CA-SG 3.58Å; H202-C214 WeakPolarHBondContact CB-O 3.07Å; H202-C214 PolarHBondContact O-N 3.45Å; H202-D215 IonicContact NE2-OD2 2.68Å |
| 203 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.3 | 170.7 | -59.7 | 167.4 | 0 | 0 | 0 | 107.1 | S156 L157 L198 N199 I211 T269 | S156-I203 CarbonylContact C-O 3.59Å; S156-I203 VanDerWaalsContact CA-O 3.31Å; S156-I203 WeakPolarHBondContact CA-O 3.21Å; L157-I203 HydrophobicContact CD1-CB 3.96Å; L157-I203 HydrophobicContact CD1-CD1 4.5Å; L157-I203 HydrophobicContact CD1-CG2 3.44Å; L157-I203 VanDerWaalsContact CD1-CG2 3.44Å; L157-I203 HydrophobicContact CG-CB 4.14Å; L157-I203 HydrophobicContact CG-CG2 3.84Å; L157-I203 PolarHBondContact N-O 2.97Å; L198-I203 HydrophobicContact CD1-CD1 4.06Å; L198-I203 HydrophobicContact CD1-CG1 3.82Å; N199-I203 PolarHBondContact O-N 2.88Å; I203-I211 HydrophobicContact CG2-CG2 3.42Å; I203-I211 VanDerWaalsContact CG2-CG2 3.42Å; I203-T269 HydrophobicContact CD1-CG2 3.54Å |
| 204 | L | 98.3 | Very high | 96.8 | Very high | 33 Ų | 33 | 23 Ų | 23 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 150.6 | -178.4 | -54 | -172.7 | 0 | 0 | 0 | 111.1 | V132 M152 G155 I211 K212 C214 | V132-L204 HydrophobicContact CG2-CD1 4.13Å; M152-L204 HydrophobicContact CB-CB 3.66Å; M152-L204 HydrophobicContact CB-CD1 3.96Å; M152-L204 HydrophobicContact CB-CG 4.45Å; M152-L204 HydrophobicContact CG-CB 3.77Å; M152-L204 HydrophobicContact CG-CD1 3.91Å; G155-L204 CarbonylContact O-C 3.57Å; G155-L204 WeakPolarHBondContact O-CA 3.42Å; L204-I211 WeakPolarHBondContact O-CA 3.45Å; L204-K212 PolarHBondContact N-O 3.13Å; L204-K212 PolarHBondContact O-N 3.48Å; L204-C214 HydrophobicContact CD1-CB 4.1Å; L204-C214 HydrophobicContact CG-CB 4.27Å |
| 205 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M152 G154 G155 N210 I211 I358 | M152-A205 CarbonylContact C-O 3.53Å; M152-A205 WeakPolarHBondContact CB-O 3.39Å; G154-A205 CarbonylContact C-O 3.53Å; G154-A205 WeakPolarHBondContact CA-O 3.1Å; G154-A205 PolarHBondContact N-O 3.11Å; G155-A205 PolarHBondContact N-O 3.23Å; G155-A205 PolarHBondContact O-N 2.71Å; A205-N210 VanDerWaalsContact CA-O 3.27Å; A205-N210 WeakPolarHBondContact CA-O 3.5Å; A205-I211 HydrophobicContact CB-CD1 3.76Å; A205-I358 HydrophobicContact CB-CD1 3.5Å; A205-I358 HydrophobicContact CB-CG1 3.75Å; A205-I358 HydrophobicContact CB-CG2 3.99Å |
| 206 | D | 96.2 | Very high | 96.6 | Very high | 28 Ų | 28 | 24.9 Ų | 24.9 | 15% | 0.15 | 13% | 0.131 | C | C | . | . | trans | -111.8 | 173.2 | 163.3 | 67.9 | 20.7 | 0 | 0 | 0 | 111.5 | M152 N153 D208 G209 N210 I358 | M152-D206 HydrophobicContact CE-CB 3.94Å; N153-D206 VanDerWaalsContact OD1-CA 3.29Å; N153-D206 WeakPolarHBondContact OD1-CA 3.36Å; N153-D206 WeakPolarHBondContact OD1-CB 3.22Å; D206-D208 PolarHBondContact O-N 3.22Å; D206-D208 VanDerWaalsContact O-N 3.12Å; D206-D208 WeakPolarHBondContact OD1-CA 3.23Å; D206-D208 PolarHBondContact OD1-N 3.16Å; D206-G209 PolarHBondContact O-N 2.91Å; D206-G209 PolarHBondContact OD1-N 2.95Å; D206-G209 VanDerWaalsContact OD1-N 3.15Å; D206-N210 PolarHBondContact N-O 2.75Å; D206-N210 VanDerWaalsContact N-O 3.16Å; D206-N210 WeakPolarHBondContact OD1-CB 3.35Å; D206-N210 PolarHBondContact OD1-N 3.22Å; D206-N210 PolarHBondContact OD1-ND2 2.79Å; D206-N210 WeakPolarHBondContact OD2-CB 3.44Å; D206-N210 PolarHBondContact OD2-ND2 3.3Å; D206-I358 WeakPolarHBondContact O-CG2 3.43Å | ||
| 207 | A | 94.5 | Very high | 96.4 | Very high | 25 Ų | 25 | 27.3 Ų | 27.3 | 21% | 0.207 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N153 G209 K355 M362 | N153-A207 PolarHBondContact OD1-N 3Å; A207-G209 VanDerWaalsContact C-N 3.33Å; A207-K355 WeakPolarHBondContact O-CE 2.9Å; A207-M362 HydrophobicContact CB-CE 3.84Å; A207-M362 HydrophobicContact CB-SD 3.78Å |
| 208 | D | 95.4 | Very high | 96.3 | Very high | 106 Ų | 106 | 27.4 Ų | 27.4 | 57% | 0.567 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.5 | 175.5 | -73.4 | -44.1 | 0 | 0 | 0 | 113.1 | D206 K355 | D206-D208 PolarHBondContact O-N 3.22Å; D206-D208 VanDerWaalsContact O-N 3.12Å; D206-D208 WeakPolarHBondContact OD1-CA 3.23Å; D206-D208 PolarHBondContact OD1-N 3.16Å; D208-K355 IonicContact OD1-NZ 3.11Å; D208-K355 PolarHBondContact OD1-NZ 2.81Å |
| 209 | G | 95.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | trans | 81.2 | 15.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D206 A207 L354 | D206-G209 PolarHBondContact O-N 2.91Å; D206-G209 PolarHBondContact OD1-N 2.95Å; D206-G209 VanDerWaalsContact OD1-N 3.15Å; A207-G209 VanDerWaalsContact C-N 3.33Å; G209-L354 WeakPolarHBondContact O-CD2 3.21Å | ||
| 210 | N | 98.1 | Very high | 96.1 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 37% | 0.369 | 16% | 0.16 | S | C | . | . | trans | -72.6 | 134.4 | 172.8 | -56 | -61.1 | 0 | 0 | 0 | 109.6 | A205 D206 | A205-N210 VanDerWaalsContact CA-O 3.27Å; A205-N210 WeakPolarHBondContact CA-O 3.5Å; D206-N210 PolarHBondContact N-O 2.75Å; D206-N210 VanDerWaalsContact N-O 3.16Å; D206-N210 WeakPolarHBondContact OD1-CB 3.35Å; D206-N210 PolarHBondContact OD1-N 3.22Å; D206-N210 PolarHBondContact OD1-ND2 2.79Å; D206-N210 WeakPolarHBondContact OD2-CB 3.44Å; D206-N210 PolarHBondContact OD2-ND2 3.3Å | ||
| 211 | I | 98.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134 | -179.4 | -62.5 | -59.9 | 0 | 0 | 0 | 110.1 | H130 L157 V177 A180 I203 L204 A205 L354 | H130-I211 PolarHBondContact ND1-O 3.4Å; L157-I211 HydrophobicContact CD2-CD1 4.24Å; V177-I211 HydrophobicContact CG2-CD1 4.14Å; V177-I211 HydrophobicContact CG2-CG1 4.11Å; A180-I211 HydrophobicContact CB-CB 3.62Å; A180-I211 HydrophobicContact CB-CG2 3.8Å; I203-I211 HydrophobicContact CG2-CG2 3.42Å; I203-I211 VanDerWaalsContact CG2-CG2 3.42Å; L204-I211 WeakPolarHBondContact O-CA 3.45Å; A205-I211 HydrophobicContact CB-CD1 3.76Å; I211-L354 HydrophobicContact CD1-CD1 4.39Å; I211-L354 HydrophobicContact CD1-CD2 3.95Å; I211-L354 HydrophobicContact CG1-CD2 3.65Å |
| 212 | K | 98.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 29 Ų | 29 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.4 | 175.7 | -58.7 | -168.2 | 174.6 | -178.5 | 0 | 112.2 | H130 V132 E150 M152 L204 | H130-K212 CarbonylContact O-C 3.19Å; H130-K212 VanDerWaalsContact O-CA 3.25Å; H130-K212 WeakPolarHBondContact O-CA 3.17Å; V132-K212 HydrophobicContact CG2-CB 3.54Å; V132-K212 HydrophobicContact CG2-CD 4.35Å; E150-K212 VanDerWaalsContact OE1-CD 3.3Å; E150-K212 WeakPolarHBondContact OE1-CD 3.19Å; E150-K212 IonicContact OE1-NZ 3.74Å; E150-K212 PolarHBondContact OE1-NZ 2.89Å; E150-K212 IonicContact OE2-NZ 2.63Å; E150-K212 PolarHBondContact OE2-NZ 2.94Å; M152-K212 HydrophobicContact CE-CB 4.21Å; M152-K212 HydrophobicContact CE-CD 3.97Å; M152-K212 HydrophobicContact CE-CG 3.85Å; M152-K212 HydrophobicContact SD-CD 3.86Å; M152-K212 HydrophobicContact SD-CG 4.36Å; L204-K212 PolarHBondContact N-O 3.13Å; L204-K212 PolarHBondContact O-N 3.48Å |
| 213 | I | 98.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.6 | 171 | -60.7 | 177.2 | 0 | 0 | 0 | 109.3 | H130 V132 C181 A184 H195 L198 H202 | H130-I213 PolarHBondContact O-N 2.88Å; V132-I213 PolarHBondContact N-O 3.4Å; C181-I213 HydrophobicContact CB-CD1 4.3Å; A184-I213 HydrophobicContact CB-CD1 3.61Å; A184-I213 HydrophobicContact CB-CG1 4.14Å; H195-I213 VanDerWaalsContact CD2-CG2 3.43Å; H195-I213 WeakPolarHBondContact CD2-CG2 3.31Å; H195-I213 WeakPolarHBondContact NE2-CG2 3.47Å; L198-I213 HydrophobicContact CD1-CD1 3.67Å; L198-I213 HydrophobicContact CD1-CG1 3.82Å; L198-I213 HydrophobicContact CD1-CG2 3.92Å; L198-I213 HydrophobicContact CD2-CD1 4.25Å; H202-I213 WeakPolarHBondContact O-CA 3.37Å |
| 214 | C | 97.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 12% | 0.122 | 21% | 0.205 | C | C | . | . | trans | -128.2 | 178.5 | 175.1 | 72.6 | 0 | 0 | 0 | 0 | 112 | V132 H195 H202 L204 | V132-C214 HydrophobicContact CB-CB 3.92Å; V132-C214 HydrophobicContact CG1-CB 4.46Å; V132-C214 HydrophobicContact CG2-CB 3.7Å; H195-C214 PolarHBondContact CE1-O 3.4Å; H195-C214 PolarHBondContact NE2-O 3.01Å; H202-C214 VanDerWaalsContact CA-SG 3.58Å; H202-C214 WeakPolarHBondContact CB-O 3.07Å; H202-C214 PolarHBondContact O-N 3.45Å; L204-C214 HydrophobicContact CD1-CB 4.1Å; L204-C214 HydrophobicContact CG-CB 4.27Å | ||
| 215 | D | 94 | Very high | 94.2 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | trans | 64.7 | 89.4 | 175.6 | -148.7 | -29.2 | 0 | 0 | 0 | 115.6 | K103 H195 H202 D217 | K103-D215 IonicContact NZ-OD1 3.48Å; K103-D215 PolarHBondContact NZ-OD1 3.38Å; K103-D215 IonicContact NZ-OD2 3.6Å; K103-D215 PolarHBondContact NZ-OD2 2.82Å; H195-D215 PolarHBondContact CE1-O 3.39Å; H195-D215 PolarHBondContact NE2-O 2.89Å; H195-D215 VanDerWaalsContact NE2-O 3.1Å; H202-D215 IonicContact NE2-OD2 2.68Å; D215-D217 PolarHBondContact OD1-N 2.94Å | ||
| 216 | F | 94.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | trans | -102.2 | 18.8 | -178.4 | -71.2 | -94 | 0 | 0 | 0 | 113 | V121 L122 V125 V131 L188 H195 D218 A219 | V121-F216 HydrophobicContact CG1-CB 3.97Å; V121-F216 HydrophobicContact CG1-CD1 3.75Å; V121-F216 HydrophobicContact CG1-CG 4.17Å; L122-F216 HydrophobicContact CD2-CB 4.27Å; L122-F216 HydrophobicContact CD2-CD2 4.27Å; L122-F216 HydrophobicContact CD2-CG 4.47Å; V125-F216 HydrophobicContact CG1-CE1 4.15Å; V125-F216 HydrophobicContact CG2-CE1 4.39Å; V125-F216 HydrophobicContact CG2-CZ 4.33Å; V131-F216 HydrophobicContact CG1-CE2 3.67Å; V131-F216 HydrophobicContact CG1-CZ 3.62Å; V131-F216 HydrophobicContact CG2-CZ 4.44Å; L188-F216 HydrophobicContact CD1-CE1 3.87Å; L188-F216 HydrophobicContact CD1-CZ 4.26Å; L188-F216 HydrophobicContact CD2-CE1 3.57Å; L188-F216 HydrophobicContact CD2-CZ 3.94Å; L188-F216 HydrophobicContact CG-CE1 4.39Å; H195-F216 AromaticContact CD2-CE1 3.69Å; H195-F216 AromaticContact CD2-CZ 3.97Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 3.34Å; F216-A219 HydrophobicContact CB-CB 3.9Å; F216-A219 HydrophobicContact CD1-CB 3.69Å; F216-A219 HydrophobicContact CG-CB 4.27Å; F216-A219 WeakPolarHBondContact O-CB 3.37Å; F216-A219 PolarHBondContact O-N 3Å; F216-A219 VanDerWaalsContact O-N 3.16Å | ||
| 217 | D | 91.5 | Very high | 92.7 | Very high | 54 Ų | 54 | 46 Ų | 46 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -62.7 | -36.9 | -177.1 | -72 | -14.3 | 0 | 0 | 0 | 112 | K103 R145 D215 | K103-D217 WeakPolarHBondContact CE-OD2 3.34Å; K103-D217 IonicContact NZ-OD1 3.88Å; K103-D217 IonicContact NZ-OD2 2.85Å; K103-D217 PolarHBondContact NZ-OD2 3.49Å; R145-D217 IonicContact NH1-OD1 2.87Å; D215-D217 PolarHBondContact OD1-N 2.94Å |
| 218 | D | 92.1 | Very high | 92.2 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -91.5 | -5.9 | 177.3 | -77 | -21.2 | 0 | 0 | 0 | 113.9 | H197 F216 F236 G237 | H197-D218 HydrophobicContact CB-CB 4.03Å; H197-D218 IonicContact CE1-OD2 3.58Å; H197-D218 IonicContact CG-OD2 3.4Å; H197-D218 IonicContact ND1-OD2 3.65Å; H197-D218 PolarHBondContact ND1-OD2 3.3Å; H197-D218 VanDerWaalsContact ND1-OD2 3.11Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 3.34Å; D218-F236 HydrophobicContact CB-CB 4.22Å; D218-F236 HydrophobicContact CB-CD1 4.37Å; D218-F236 WeakPolarHBondContact OD1-CD1 3.45Å; D218-G237 WeakPolarHBondContact OD2-CA 3.33Å; D218-G237 PolarHBondContact OD2-N 3.47Å |
| 219 | A | 95.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -66.8 | 149.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V121 V193 V194 H195 F216 | V121-A219 HydrophobicContact CG1-CB 3.91Å; V121-A219 HydrophobicContact CG2-CB 4.47Å; V193-A219 HydrophobicContact CG1-CB 4.41Å; V194-A219 CarbonylContact O-C 3.46Å; V194-A219 VanDerWaalsContact O-CA 3.23Å; V194-A219 WeakPolarHBondContact O-CA 3.34Å; V194-A219 VanDerWaalsContact O-CB 3.31Å; V194-A219 WeakPolarHBondContact O-CB 3.27Å; H195-A219 WeakPolarHBondContact O-CA 3.42Å; F216-A219 HydrophobicContact CB-CB 3.9Å; F216-A219 HydrophobicContact CD1-CB 3.69Å; F216-A219 HydrophobicContact CG-CB 4.27Å; F216-A219 WeakPolarHBondContact O-CB 3.37Å; F216-A219 PolarHBondContact O-N 3Å; F216-A219 VanDerWaalsContact O-N 3.16Å | ||
| 220 | K | 94.4 | Very high | 91.4 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.7 | -178.4 | -57.1 | -67.1 | 174.8 | -162.7 | 0 | 112 | V193 V194 L196 V230 | V193-K220 WeakPolarHBondContact CA-O 3.44Å; V194-K220 HydrophobicContact CG2-CB 4.11Å; V194-K220 WeakPolarHBondContact CG2-O 3.3Å; V194-K220 PolarHBondContact N-O 3.15Å; V194-K220 PolarHBondContact O-N 2.83Å; L196-K220 HydrophobicContact CD1-CB 4.31Å; L196-K220 HydrophobicContact CD1-CG 3.75Å; K220-V230 HydrophobicContact CB-CG2 3.52Å; K220-V230 HydrophobicContact CG-CG2 3.86Å |
| 221 | I | 95 | Very high | 90.7 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.3 | 168.2 | -65.7 | 139.4 | 0 | 0 | 0 | 108 | A120 V121 R124 G192 V193 P223 | A120-I221 HydrophobicContact CB-CD1 3.85Å; V121-I221 HydrophobicContact CG2-CD1 3.75Å; V121-I221 HydrophobicContact CG2-CG1 3.91Å; R124-I221 VanDerWaalsContact CZ-CG2 3.49Å; G192-I221 CarbonylContact O-C 3.59Å; G192-I221 WeakPolarHBondContact O-CA 3.27Å; V193-I221 HydrophobicContact CG2-CG1 4.37Å; I221-P223 WeakPolarHBondContact O-CD 3.48Å |
| 222 | I | 91.9 | Very high | 89.9 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 120.8 | 170.3 | -59.7 | 163.9 | 0 | 0 | 0 | 107.6 | G192 V194 V230 A255 A258 R259 | G192-I222 PolarHBondContact O-N 3.22Å; V194-I222 HydrophobicContact CG1-CD1 3.68Å; V194-I222 HydrophobicContact CG1-CG1 4.26Å; V194-I222 HydrophobicContact CG2-CG1 4.42Å; I222-V230 HydrophobicContact CG1-CG1 4.44Å; I222-A255 HydrophobicContact CD1-CB 4.18Å; I222-A255 HydrophobicContact CG2-CB 3.84Å; I222-A258 HydrophobicContact CD1-CB 4.38Å; I222-R259 HydrophobicContact CD1-CG 4.24Å |
| 223 | P | 88.3 | Confident | 88.9 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.7 | 176.1 | -19.8 | 31.2 | 0 | 0 | 0 | 110.9 | I221 S228 | I221-P223 WeakPolarHBondContact O-CD 3.48Å; P223-S228 WeakPolarHBondContact O-CB 3.2Å; P223-S228 PolarHBondContact O-OG 3.05Å |
| 224 | P | 85.6 | Confident | 87.6 | Confident | 121 Ų | 121 | 48.7 Ų | 48.7 | 79% | 0.786 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -66.6 | 157.5 | 176.8 | 29.4 | -35.1 | 0 | 0 | 0 | 111 | S228 | P224-S228 PolarHBondContact O-OG 3.48Š|
| 225 | G | 84.5 | Confident | 86.3 | Confident | 53 Ų | 53 | 50 Ų | 50 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 104.4 | 155.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | S228 | G225-S228 WeakPolarHBondContact O-CB 3.29Å; G225-S228 PolarHBondContact O-N 3.26Å; G225-S228 PolarHBondContact O-OG 2.99Å |
| 226 | P | 81.1 | Confident | 85.1 | Confident | 137 Ų | 137 | 50.1 Ų | 50.1 | 89% | 0.89 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 136.7 | 178.3 | 27.9 | -32.9 | 0 | 0 | 0 | 110.8 | S228 | P226-S228 PolarHBondContact O-N 3.08Š|
| 227 | G | 80.8 | Confident | 84.2 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 76% | 0.763 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T229 | G227-T229 PolarHBondContact O-N 3.08Š|
| 228 | S | 85.2 | Confident | 83.9 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 22% | 0.217 | 32% | 0.324 | C | S | . | . | trans | -61.9 | 133.5 | 174 | -70.8 | 0 | 0 | 0 | 0 | 111 | P223 P224 G225 P226 | P223-S228 WeakPolarHBondContact O-CB 3.2Å; P223-S228 PolarHBondContact O-OG 3.05Å; P224-S228 PolarHBondContact O-OG 3.48Å; G225-S228 WeakPolarHBondContact O-CB 3.29Å; G225-S228 PolarHBondContact O-N 3.26Å; G225-S228 PolarHBondContact O-OG 2.99Å; P226-S228 PolarHBondContact O-N 3.08Å | ||
| 229 | T | 86.6 | Confident | 83.7 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.3 | -180 | 59.2 | 0 | 0 | 0 | 0 | 111.4 | G227 M252 A253 | G227-T229 PolarHBondContact O-N 3.08Å; T229-M252 WeakPolarHBondContact CB-SD 3.28Å; T229-M252 HydrophobicContact CG2-CG 3.87Å; T229-M252 VanDerWaalsContact OG1-CG 3.23Å; T229-M252 WeakPolarHBondContact OG1-CG 3.26Å; T229-M252 PolarHBondContact OG1-SD 2.78Å; T229-A253 CarbonylContact C-O 3.54Å; T229-A253 VanDerWaalsContact CA-O 3.26Å; T229-A253 WeakPolarHBondContact CA-O 3.48Å |
| 230 | V | 86.9 | Confident | 83.5 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 9% | 0.085 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139 | 174.1 | 64.7 | 0 | 0 | 0 | 0 | 108.7 | K220 I222 A253 A258 | K220-V230 HydrophobicContact CB-CG2 3.52Å; K220-V230 HydrophobicContact CG-CG2 3.86Å; I222-V230 HydrophobicContact CG1-CG1 4.44Å; V230-A253 HydrophobicContact CG1-CB 4.48Å; V230-A253 PolarHBondContact N-O 2.91Å; V230-A253 PolarHBondContact O-N 3.27Å; V230-A258 HydrophobicContact CG1-CB 3.78Å |
| 231 | Y | 84.3 | Confident | 83.4 | Confident | 108 Ų | 108 | 50 Ų | 50 | 42% | 0.424 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.2 | 172.5 | 180 | -112.5 | 0 | 0 | 0 | 109.3 | F236 M250 A251 M252 | Y231-F236 AromaticContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CZ 4.21Å; Y231-F236 HydrophobicContact CE1-CD2 4.38Å; Y231-F236 AromaticContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CZ 4.34Å; Y231-M250 WeakPolarHBondContact CD2-O 3.47Å; Y231-A251 HydrophobicContact CE2-CB 4.26Å; Y231-M252 HydrophobicContact CD2-CE 4.36Å |
| 232 | S | 81.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | trans | -135.7 | 37 | -178 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | R246 A251 | S232-R246 WeakPolarHBondContact O-CB 3.34Å; S232-R246 VanDerWaalsContact O-CG 3.24Å; S232-R246 WeakPolarHBondContact O-CG 3.48Å; S232-R246 PolarHBondContact O-NE 3.17Å; S232-A251 PolarHBondContact N-O 2.7Å; S232-A251 VanDerWaalsContact N-O 3.1Å; S232-A251 PolarHBondContact OG-O 3.42Å | ||
| 233 | G | 77.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -71.2 | -169 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G235 F236 | G233-G235 PolarHBondContact O-N 3.12Å; G233-G235 VanDerWaalsContact O-N 3.17Å; G233-F236 PolarHBondContact O-N 3.23Å | ||
| 234 | I | 70.6 | Confident | 83.5 | Confident | 94 Ų | 94 | 45.7 Ų | 45.7 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.3 | -173.5 | 63.2 | 172.1 | 0 | 0 | 0 | 115 | F236 M242 | I234-F236 PolarHBondContact O-N 3.37Å; I234-M242 HydrophobicContact CB-CE 4.39Å; I234-M242 HydrophobicContact CB-SD 4.22Å; I234-M242 HydrophobicContact CG2-SD 3.78Å |
| 235 | G | 70.6 | Confident | 83.8 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 46% | 0.464 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -4.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G233 | G233-G235 PolarHBondContact O-N 3.12Å; G233-G235 VanDerWaalsContact O-N 3.17Å |
| 236 | F | 69 | Low | 84.1 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 17% | 0.171 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -118.4 | 143 | 179.3 | -54.3 | -73.9 | 0 | 0 | 0 | 110.7 | D218 Y231 G233 I234 M242 R246 | D218-F236 HydrophobicContact CB-CB 4.22Å; D218-F236 HydrophobicContact CB-CD1 4.37Å; D218-F236 WeakPolarHBondContact OD1-CD1 3.45Å; Y231-F236 AromaticContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CE2 3.52Å; Y231-F236 HydrophobicContact CD1-CZ 4.21Å; Y231-F236 HydrophobicContact CE1-CD2 4.38Å; Y231-F236 AromaticContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CE2 3.55Å; Y231-F236 HydrophobicContact CE1-CZ 4.34Å; G233-F236 PolarHBondContact O-N 3.23Å; I234-F236 PolarHBondContact O-N 3.37Å; F236-M242 VanDerWaalsContact O-CE 3.24Å; F236-M242 WeakPolarHBondContact O-CE 3.3Å; F236-R246 PolarHBondContact O-NH2 3.02Å |
| 237 | G | 76 | Confident | 84.3 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 79.7 | -170.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H197 D218 | H197-G237 VanDerWaalsContact CD2-CA 3.45Å; H197-G237 WeakPolarHBondContact CD2-CA 3.35Å; D218-G237 WeakPolarHBondContact OD2-CA 3.33Å; D218-G237 PolarHBondContact OD2-N 3.47Å |
| 238 | S | 86 | Confident | 84.2 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 22% | 0.224 | 19% | 0.192 | C | C | . | . | trans | -97.2 | 119.5 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | H197 E240 Y241 | H197-S238 PolarHBondContact CD2-N 3.31Å; H197-S238 PolarHBondContact NE2-N 3.16Å; H197-S238 PolarHBondContact NE2-OG 3.36Å; S238-E240 PolarHBondContact O-N 3.48Å; S238-Y241 PolarHBondContact O-N 2.84Å | ||
| 239 | P | 87.8 | Confident | 83.3 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -50.7 | -33.5 | -175.7 | -31.9 | 37.3 | 0 | 0 | 0 | 115 | Y241 M242 L289 L292 I296 | P239-Y241 PolarHBondContact O-N 3.41Å; P239-M242 VanDerWaalsContact O-CB 3.23Å; P239-M242 WeakPolarHBondContact O-CB 3.43Å; P239-M242 PolarHBondContact O-N 3.32Å; P239-M242 VanDerWaalsContact O-N 3.16Å; P239-L289 HydrophobicContact CB-CD2 3.9Å; P239-L289 HydrophobicContact CG-CD2 3.51Å; P239-L292 HydrophobicContact CB-CD2 3.47Å; P239-L292 VanDerWaalsContact CB-CD2 3.47Å; P239-I296 WeakPolarHBondContact O-CD1 3.24Å |
| 240 | E | 89.6 | Confident | 82.4 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67.8 | -18.5 | -178.7 | -53.6 | 83.9 | 174.1 | 0 | 0 | 113.6 | S238 A280 L292 | S238-E240 PolarHBondContact O-N 3.48Å; E240-A280 HydrophobicContact CB-CB 4.1Å; E240-A280 WeakPolarHBondContact O-CB 3.28Å; E240-L292 HydrophobicContact CG-CD2 4.3Å |
| 241 | Y | 93.2 | Very high | 82 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -108.3 | 4.4 | 179.3 | -56.9 | -96.9 | 0 | 0 | 0 | 111.8 | N199 S238 P239 S265 I268 H272 | N199-Y241 HydrophobicContact CB-CD1 3.72Å; N199-Y241 HydrophobicContact CB-CD2 3.99Å; N199-Y241 HydrophobicContact CB-CE1 3.66Å; N199-Y241 HydrophobicContact CB-CE2 3.91Å; N199-Y241 HydrophobicContact CB-CG 3.88Å; S238-Y241 PolarHBondContact O-N 2.84Å; P239-Y241 PolarHBondContact O-N 3.41Å; Y241-S265 WeakPolarHBondContact O-CB 3.41Å; Y241-I268 HydrophobicContact CD1-CB 3.94Å; Y241-I268 HydrophobicContact CD1-CG2 3.46Å; Y241-I268 VanDerWaalsContact CD1-CG2 3.46Å; Y241-I268 HydrophobicContact CE1-CG2 3.82Å; Y241-I268 HydrophobicContact CG-CG2 4.15Å; Y241-H272 AromaticContact CZ-ND1 3.81Å; Y241-H272 PolarHBondContact OH-CE1 3.49Å; Y241-H272 VanDerWaalsContact OH-CE1 3.28Å; Y241-H272 PolarHBondContact OH-ND1 3.35Å |
| 242 | M | 91.5 | Very high | 81.8 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | trans | -76.4 | 139.7 | -174.2 | -166.5 | 168.9 | -67.6 | 0 | 0 | 111.1 | I234 F236 P239 R246 W264 I296 | I234-M242 HydrophobicContact CB-CE 4.39Å; I234-M242 HydrophobicContact CB-SD 4.22Å; I234-M242 HydrophobicContact CG2-SD 3.78Å; F236-M242 VanDerWaalsContact O-CE 3.24Å; F236-M242 WeakPolarHBondContact O-CE 3.3Å; P239-M242 VanDerWaalsContact O-CB 3.23Å; P239-M242 WeakPolarHBondContact O-CB 3.43Å; P239-M242 PolarHBondContact O-N 3.32Å; P239-M242 VanDerWaalsContact O-N 3.16Å; M242-R246 HydrophobicContact CG-CB 3.63Å; M242-R246 HydrophobicContact SD-CB 4.1Å; M242-W264 PolarHBondContact O-NE1 3.36Å; M242-I296 HydrophobicContact CB-CD1 4.42Å; M242-I296 WeakPolarHBondContact O-CG2 3.38Å | ||
| 243 | S | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -81.3 | 152.3 | 177 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | E245 R246 A261 W264 | S243-E245 VanDerWaalsContact C-N 3.27Å; S243-E245 VanDerWaalsContact CB-CD 3.43Å; S243-E245 WeakPolarHBondContact CB-OE1 3.43Å; S243-E245 WeakPolarHBondContact CB-OE2 3.43Å; S243-E245 PolarHBondContact O-N 2.86Å; S243-E245 PolarHBondContact OG-OE1 3.43Å; S243-E245 PolarHBondContact OG-OE2 2.98Å; S243-R246 WeakPolarHBondContact O-CB 3.4Å; S243-R246 PolarHBondContact O-N 3.32Å; S243-R246 WeakPolarHBondContact OG-CD 3.42Å; S243-R246 WeakPolarHBondContact OG-CG 3.44Å; S243-A261 WeakPolarHBondContact OG-CB 3.24Å; S243-W264 VanDerWaalsContact CA-CD1 3.49Å | ||
| 244 | P | 92.4 | Very high | 82.2 | Confident | 17 Ų | 17 | 40.7 Ų | 40.7 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -54.9 | -39.5 | -177.1 | -25.8 | 33.5 | 0 | 0 | 0 | 114 | R246 C247 W264 I296 K325 | P244-R246 PolarHBondContact O-N 2.84Å; P244-C247 WeakPolarHBondContact O-CB 3.14Å; P244-C247 PolarHBondContact O-N 2.95Å; P244-W264 HydrophobicContact CG-CE3 4.32Å; P244-W264 HydrophobicContact CG-CH2 3.62Å; P244-W264 HydrophobicContact CG-CZ2 4.05Å; P244-W264 HydrophobicContact CG-CZ3 3.78Å; P244-I296 HydrophobicContact CB-CG2 4.33Å; P244-I296 HydrophobicContact CG-CG2 4Å; P244-K325 HydrophobicContact CG-CG 4.13Å |
| 245 | E | 91.2 | Very high | 83 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -66.4 | -22.5 | 179.5 | 65.4 | -85.5 | -171.7 | 0 | 0 | 113.9 | S243 A248 V257 V327 R330 | S243-E245 VanDerWaalsContact C-N 3.27Å; S243-E245 VanDerWaalsContact CB-CD 3.43Å; S243-E245 WeakPolarHBondContact CB-OE1 3.43Å; S243-E245 WeakPolarHBondContact CB-OE2 3.43Å; S243-E245 PolarHBondContact O-N 2.86Å; S243-E245 PolarHBondContact OG-OE1 3.43Å; S243-E245 PolarHBondContact OG-OE2 2.98Å; E245-A248 WeakPolarHBondContact O-CB 3.37Å; E245-V257 HydrophobicContact CB-CG1 4.18Å; E245-V257 HydrophobicContact CG-CG1 3.7Å; E245-V327 HydrophobicContact CB-CG2 4.42Å; E245-V327 HydrophobicContact CG-CG2 4.16Å; E245-R330 IonicContact OE1-CZ 3.72Å; E245-R330 IonicContact OE1-NH1 2.99Å; E245-R330 PolarHBondContact OE1-NH1 2.94Å; E245-R330 IonicContact OE1-NH2 3.59Å; E245-R330 IonicContact OE2-CZ 2.64Å; E245-R330 IonicContact OE2-NH1 2.79Å; E245-R330 PolarHBondContact OE2-NH1 3.02Å; E245-R330 IonicContact OE2-NH2 3.67Å; E245-R330 PolarHBondContact OE2-NH2 3.33Å |
| 246 | R | 90.8 | Very high | 83.9 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -82.8 | -18.6 | 177.1 | -68.4 | -178.7 | 59.1 | -163.6 | -2.1 | 112.8 | L196 S232 F236 M242 S243 P244 A248 A261 | L196-R246 PolarHBondContact O-NH1 3.39Å; S232-R246 WeakPolarHBondContact O-CB 3.34Å; S232-R246 VanDerWaalsContact O-CG 3.24Å; S232-R246 WeakPolarHBondContact O-CG 3.48Å; S232-R246 PolarHBondContact O-NE 3.17Å; F236-R246 PolarHBondContact O-NH2 3.02Å; M242-R246 HydrophobicContact CG-CB 3.63Å; M242-R246 HydrophobicContact SD-CB 4.1Å; S243-R246 WeakPolarHBondContact O-CB 3.4Å; S243-R246 PolarHBondContact O-N 3.32Å; S243-R246 WeakPolarHBondContact OG-CD 3.42Å; S243-R246 WeakPolarHBondContact OG-CG 3.44Å; P244-R246 PolarHBondContact O-N 2.84Å; R246-A248 VanDerWaalsContact C-N 3.25Å; R246-A261 HydrophobicContact CG-CB 4.2Å |
| 247 | C | 85.3 | Confident | 85 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -76.5 | -10.8 | 172.4 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | P244 S293 S297 | P244-C247 WeakPolarHBondContact O-CB 3.14Å; P244-C247 PolarHBondContact O-N 2.95Å; C247-S293 WeakPolarHBondContact CB-OG 3.48Å; C247-S297 WeakPolarHBondContact CB-OG 3.36Å |
| 248 | A | 80.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -70.9 | 147.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E245 R246 M250 A251 | E245-A248 WeakPolarHBondContact O-CB 3.37Å; R246-A248 VanDerWaalsContact C-N 3.25Å; A248-M250 VanDerWaalsContact C-N 3.3Å; A248-M250 PolarHBondContact O-N 3.5Å; A248-M250 VanDerWaalsContact O-N 3.1Å; A248-A251 WeakPolarHBondContact O-CB 3.35Å; A248-A251 PolarHBondContact O-N 3.28Å |
| 249 | P | 64.9 | Low | 86.2 | Confident | 127 Ų | 127 | 44.6 Ų | 44.6 | 83% | 0.825 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -36.1 | -171.8 | -28 | 34 | 0 | 0 | 0 | 115.9 | ||
| 250 | M | 67.7 | Low | 86.6 | Confident | 144 Ų | 144 | 43.5 Ų | 43.5 | 71% | 0.709 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -24.1 | 178.6 | -106.6 | 60.2 | 71.5 | 0 | 0 | 113.3 | Y231 A248 M252 | Y231-M250 WeakPolarHBondContact CD2-O 3.47Å; A248-M250 VanDerWaalsContact C-N 3.3Å; A248-M250 PolarHBondContact O-N 3.5Å; A248-M250 VanDerWaalsContact O-N 3.1Å; M250-M252 PolarHBondContact O-N 2.91Å |
| 251 | A | 78.8 | Confident | 86.9 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | trans | 33.6 | 37.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y231 S232 A248 A253 | Y231-A251 HydrophobicContact CE2-CB 4.26Å; S232-A251 PolarHBondContact N-O 2.7Å; S232-A251 VanDerWaalsContact N-O 3.1Å; S232-A251 PolarHBondContact OG-O 3.42Å; A248-A251 WeakPolarHBondContact O-CB 3.35Å; A248-A251 PolarHBondContact O-N 3.28Å; A251-A253 PolarHBondContact O-N 3.43Å | ||
| 252 | M | 80.4 | Confident | 87.1 | Confident | 97 Ų | 97 | 40.3 Ų | 40.3 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 106.4 | -174.8 | -169.8 | 56.5 | 67.4 | 0 | 0 | 107.5 | T229 Y231 M250 | T229-M252 WeakPolarHBondContact CB-SD 3.28Å; T229-M252 HydrophobicContact CG2-CG 3.87Å; T229-M252 VanDerWaalsContact OG1-CG 3.23Å; T229-M252 WeakPolarHBondContact OG1-CG 3.26Å; T229-M252 PolarHBondContact OG1-SD 2.78Å; Y231-M252 HydrophobicContact CD2-CE 4.36Å; M250-M252 PolarHBondContact O-N 2.91Å |
| 253 | A | 81.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T229 V230 A251 V257 A258 | T229-A253 CarbonylContact C-O 3.54Å; T229-A253 VanDerWaalsContact CA-O 3.26Å; T229-A253 WeakPolarHBondContact CA-O 3.48Å; V230-A253 HydrophobicContact CG1-CB 4.48Å; V230-A253 PolarHBondContact N-O 2.91Å; V230-A253 PolarHBondContact O-N 3.27Å; A251-A253 PolarHBondContact O-N 3.43Å; A253-V257 HydrophobicContact CB-CB 3.83Å; A253-V257 HydrophobicContact CB-CG1 3.67Å; A253-A258 HydrophobicContact CB-CB 3.97Å |
| 254 | G | 85.9 | Confident | 87.7 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 25% | 0.247 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 167.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R256 V257 A258 | G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 2.77Å; G254-R256 VanDerWaalsContact O-N 3.09Å; G254-V257 PolarHBondContact O-N 3.35Å; G254-A258 PolarHBondContact O-N 2.85Å |
| 255 | A | 87.4 | Confident | 87.9 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 26% | 0.256 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -49.1 | -43.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I222 R259 | I222-A255 HydrophobicContact CD1-CB 4.18Å; I222-A255 HydrophobicContact CG2-CB 3.84Å; A255-R259 WeakPolarHBondContact O-CB 3.46Å; A255-R259 WeakPolarHBondContact O-CD 3.49Å; A255-R259 WeakPolarHBondContact O-CG 3.37Å; A255-R259 PolarHBondContact O-N 2.68Å; A255-R259 VanDerWaalsContact O-N 3.15Å |
| 256 | R | 89.5 | Confident | 88.3 | Confident | 146 Ų | 146 | 38.1 Ų | 38.1 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.4 | -43.6 | 178.2 | -179.4 | 175.9 | 177 | 124.9 | 2.2 | 112.2 | G254 A260 V327 C328 | G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 2.77Å; G254-R256 VanDerWaalsContact O-N 3.09Å; R256-A260 WeakPolarHBondContact O-CB 3.23Å; R256-A260 PolarHBondContact O-N 3.21Å; R256-V327 HydrophobicContact CG-CG1 4.34Å; R256-C328 PolarHBondContact NH2-O 2.95Å |
| 257 | V | 91.8 | Very high | 88.7 | Confident | 46 Ų | 46 | 37.9 Ų | 37.9 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67 | -45 | -177.9 | 180 | 0 | 0 | 0 | 0 | 110.1 | E245 A253 G254 R259 A260 A261 V327 | E245-V257 HydrophobicContact CB-CG1 4.18Å; E245-V257 HydrophobicContact CG-CG1 3.7Å; A253-V257 HydrophobicContact CB-CB 3.83Å; A253-V257 HydrophobicContact CB-CG1 3.67Å; G254-V257 PolarHBondContact O-N 3.35Å; V257-R259 PolarHBondContact O-N 2.9Å; V257-A260 PolarHBondContact O-N 3.3Å; V257-A261 PolarHBondContact O-N 2.77Å; V257-A261 VanDerWaalsContact O-N 3.16Å; V257-V327 HydrophobicContact CG1-CG2 4.45Å; V257-V327 HydrophobicContact CG2-CG1 4.25Å |
| 258 | A | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V194 I222 V230 A253 G254 A261 | V194-A258 HydrophobicContact CG1-CB 3.95Å; V194-A258 HydrophobicContact CG2-CB 4.24Å; I222-A258 HydrophobicContact CD1-CB 4.38Å; V230-A258 HydrophobicContact CG1-CB 3.78Å; A253-A258 HydrophobicContact CB-CB 3.97Å; G254-A258 PolarHBondContact O-N 2.85Å; A258-A261 WeakPolarHBondContact O-CB 3.07Å; A258-A261 PolarHBondContact O-N 3Å |
| 259 | R | 95.5 | Very high | 90.1 | Very high | 89 Ų | 89 | 35 Ų | 35 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.6 | -35.4 | 176 | -69.7 | 174.8 | -176.4 | 141.3 | -4.5 | 113 | H189 V194 I222 A255 V257 A261 D262 V263 | H189-R259 HydrophobicContact CB-CG 4.16Å; H189-R259 VanDerWaalsContact CE1-CB 3.5Å; H189-R259 WeakPolarHBondContact CE1-CB 3.46Å; H189-R259 PolarHBondContact CE1-O 3.32Å; H189-R259 PolarHBondContact O-NH2 3.47Å; H189-R259 VanDerWaalsContact O-NH2 3.12Å; V194-R259 HydrophobicContact CG1-CG 3.92Å; I222-R259 HydrophobicContact CD1-CG 4.24Å; A255-R259 WeakPolarHBondContact O-CB 3.46Å; A255-R259 WeakPolarHBondContact O-CD 3.49Å; A255-R259 WeakPolarHBondContact O-CG 3.37Å; A255-R259 PolarHBondContact O-N 2.68Å; A255-R259 VanDerWaalsContact O-N 3.15Å; V257-R259 PolarHBondContact O-N 2.9Å; R259-A261 PolarHBondContact O-N 3.5Å; R259-D262 PolarHBondContact O-N 3.23Å; R259-V263 PolarHBondContact O-N 2.83Å |
| 260 | A | 96.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 29 Ų | 29 | 8% | 0.083 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.9 | -27.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R256 V257 V263 W264 V327 R330 | R256-A260 WeakPolarHBondContact O-CB 3.23Å; R256-A260 PolarHBondContact O-N 3.21Å; V257-A260 PolarHBondContact O-N 3.3Å; A260-V263 WeakPolarHBondContact O-CB 3.41Å; A260-V263 PolarHBondContact O-N 3.28Å; A260-W264 PolarHBondContact O-N 3.36Å; A260-V327 HydrophobicContact CB-CB 4.5Å; A260-V327 HydrophobicContact CB-CG1 3.74Å; A260-V327 HydrophobicContact CB-CG2 4.33Å; A260-R330 WeakPolarHBondContact O-CD 3.45Å; A260-R330 PolarHBondContact O-NH1 2.98Å |
| 261 | A | 95.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L196 S243 R246 V257 A258 R259 V263 W264 S265 | L196-A261 HydrophobicContact CD2-CB 4.26Å; S243-A261 WeakPolarHBondContact OG-CB 3.24Å; R246-A261 HydrophobicContact CG-CB 4.2Å; V257-A261 PolarHBondContact O-N 2.77Å; V257-A261 VanDerWaalsContact O-N 3.16Å; A258-A261 WeakPolarHBondContact O-CB 3.07Å; A258-A261 PolarHBondContact O-N 3Å; R259-A261 PolarHBondContact O-N 3.5Å; A261-V263 VanDerWaalsContact C-N 3.28Å; A261-V263 PolarHBondContact O-N 2.8Å; A261-W264 PolarHBondContact O-N 3.19Å; A261-S265 PolarHBondContact O-N 3.44Å; A261-S265 VanDerWaalsContact O-N 3.08Å; A261-S265 PolarHBondContact O-OG 2.76Å |
| 262 | D | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.1 | -34.3 | 173.5 | -71.9 | -21.4 | 0 | 0 | 0 | 112.2 | L185 H189 V194 H195 L196 R259 S265 L266 | L185-D262 HydrophobicContact CD1-CB 4.2Å; L185-D262 HydrophobicContact CD2-CB 3.72Å; H189-D262 IonicContact CD2-OD2 3.51Å; H189-D262 IonicContact CE1-OD2 2.84Å; H189-D262 IonicContact NE2-OD2 2.72Å; H189-D262 PolarHBondContact NE2-OD2 3.23Å; V194-D262 WeakPolarHBondContact CA-OD2 3.42Å; H195-D262 PolarHBondContact N-OD1 3.4Å; H195-D262 PolarHBondContact N-OD2 3.41Å; L196-D262 PolarHBondContact N-OD1 2.72Å; R259-D262 PolarHBondContact O-N 3.23Å; D262-S265 WeakPolarHBondContact CA-OG 3.36Å; D262-S265 PolarHBondContact O-OG 2.86Å; D262-L266 WeakPolarHBondContact O-CB 3.49Å; D262-L266 PolarHBondContact O-N 3.3Å |
| 263 | V | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | R259 A260 A261 L266 G267 C322 R330 A331 V333 L336 | R259-V263 PolarHBondContact O-N 2.83Å; A260-V263 WeakPolarHBondContact O-CB 3.41Å; A260-V263 PolarHBondContact O-N 3.28Å; A261-V263 VanDerWaalsContact C-N 3.28Å; A261-V263 PolarHBondContact O-N 2.8Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-G267 PolarHBondContact O-N 3.38Å; V263-C322 HydrophobicContact CG1-CB 4.08Å; V263-R330 HydrophobicContact CG1-CG 4.06Å; V263-A331 WeakPolarHBondContact CG1-O 3.21Å; V263-V333 HydrophobicContact CG2-CG2 3.9Å; V263-L336 HydrophobicContact CB-CD1 4.47Å; V263-L336 HydrophobicContact CG1-CD1 3.49Å; V263-L336 VanDerWaalsContact CG1-CD1 3.49Å; V263-L336 HydrophobicContact CG2-CD1 4.26Å |
| 264 | W | 97.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 176.3 | 175.2 | -80.3 | 0 | 0 | 0 | 111.4 | M242 S243 P244 A260 A261 L266 G267 I268 I296 P301 L323 K325 | M242-W264 PolarHBondContact O-NE1 3.36Å; S243-W264 VanDerWaalsContact CA-CD1 3.49Å; P244-W264 HydrophobicContact CG-CE3 4.32Å; P244-W264 HydrophobicContact CG-CH2 3.62Å; P244-W264 HydrophobicContact CG-CZ2 4.05Å; P244-W264 HydrophobicContact CG-CZ3 3.78Å; A260-W264 PolarHBondContact O-N 3.36Å; A261-W264 PolarHBondContact O-N 3.19Å; W264-L266 VanDerWaalsContact C-N 3.28Å; W264-L266 PolarHBondContact O-N 3.35Å; W264-G267 WeakPolarHBondContact O-CA 3.3Å; W264-G267 PolarHBondContact O-N 3.47Å; W264-I268 PolarHBondContact O-N 3.34Å; W264-I296 HydrophobicContact CZ2-CG2 4.34Å; W264-P301 HydrophobicContact CH2-CB 4.33Å; W264-L323 HydrophobicContact CD2-CD2 3.85Å; W264-L323 HydrophobicContact CE3-CD2 4.03Å; W264-L323 HydrophobicContact CG-CD2 4.2Å; W264-L323 HydrophobicContact CZ3-CB 4.46Å; W264-L323 HydrophobicContact CZ3-CD2 4.46Å; W264-L323 WeakPolarHBondContact O-CD2 3.16Å; W264-K325 HydrophobicContact CH2-CG 4.49Å; W264-K325 HydrophobicContact CZ3-CG 4.41Å |
| 265 | S | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.4 | -34.3 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 112 | L198 Y241 A261 D262 I268 T269 | L198-S265 WeakPolarHBondContact O-CB 3.34Å; Y241-S265 WeakPolarHBondContact O-CB 3.41Å; A261-S265 PolarHBondContact O-N 3.44Å; A261-S265 VanDerWaalsContact O-N 3.08Å; A261-S265 PolarHBondContact O-OG 2.76Å; D262-S265 WeakPolarHBondContact CA-OG 3.36Å; D262-S265 PolarHBondContact O-OG 2.86Å; S265-I268 PolarHBondContact O-N 2.91Å; S265-T269 VanDerWaalsContact O-CB 3.26Å; S265-T269 WeakPolarHBondContact O-CB 3.47Å; S265-T269 PolarHBondContact O-N 2.94Å; S265-T269 PolarHBondContact O-OG1 3.03Å |
| 266 | L | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 168 | 178.6 | 61.1 | 0 | 0 | 0 | 112 | C181 L182 L185 L198 D262 V263 W264 I268 T269 V270 F318 | C181-L266 HydrophobicContact CB-CD1 3.66Å; C181-L266 HydrophobicContact CB-CD2 4.47Å; L182-L266 HydrophobicContact CD2-CD2 3.58Å; L182-L266 HydrophobicContact CG-CD2 3.79Å; L185-L266 HydrophobicContact CD1-CD2 4.14Å; L198-L266 HydrophobicContact CD2-CB 3.99Å; L198-L266 HydrophobicContact CD2-CD1 4.27Å; D262-L266 WeakPolarHBondContact O-CB 3.49Å; D262-L266 PolarHBondContact O-N 3.3Å; V263-L266 PolarHBondContact O-N 3.31Å; W264-L266 VanDerWaalsContact C-N 3.28Å; W264-L266 PolarHBondContact O-N 3.35Å; L266-I268 PolarHBondContact O-N 2.83Å; L266-T269 WeakPolarHBondContact O-CB 3.26Å; L266-T269 PolarHBondContact O-N 3.05Å; L266-T269 VanDerWaalsContact O-N 3.16Å; L266-V270 HydrophobicContact CD1-CG2 4.05Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 WeakPolarHBondContact O-CG2 3.46Å; L266-V270 PolarHBondContact O-N 2.86Å; L266-F318 HydrophobicContact CD2-CZ 4.42Å |
| 267 | G | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V263 W264 T269 V270 L271 | V263-G267 PolarHBondContact O-N 3.38Å; W264-G267 WeakPolarHBondContact O-CA 3.3Å; W264-G267 PolarHBondContact O-N 3.47Å; G267-T269 VanDerWaalsContact C-N 3.29Å; G267-T269 PolarHBondContact O-N 3.32Å; G267-V270 PolarHBondContact O-N 3.2Å; G267-L271 WeakPolarHBondContact O-CB 3.28Å; G267-L271 PolarHBondContact O-N 3.17Å |
| 268 | I | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 175 | -59.4 | -61.2 | 0 | 0 | 0 | 110.6 | Y241 W264 S265 L266 L271 H272 P279 P302 L323 | Y241-I268 HydrophobicContact CD1-CB 3.94Å; Y241-I268 HydrophobicContact CD1-CG2 3.46Å; Y241-I268 VanDerWaalsContact CD1-CG2 3.46Å; Y241-I268 HydrophobicContact CE1-CG2 3.82Å; Y241-I268 HydrophobicContact CG-CG2 4.15Å; W264-I268 PolarHBondContact O-N 3.34Å; S265-I268 PolarHBondContact O-N 2.91Å; L266-I268 PolarHBondContact O-N 2.83Å; I268-L271 PolarHBondContact O-N 3.44Å; I268-H272 VanDerWaalsContact O-CB 3.23Å; I268-H272 WeakPolarHBondContact O-CB 3.25Å; I268-H272 PolarHBondContact O-N 2.55Å; I268-P279 HydrophobicContact CG2-CG 4.43Å; I268-P302 HydrophobicContact CD1-CB 4.18Å; I268-P302 HydrophobicContact CD1-CG 3.8Å; I268-L323 HydrophobicContact CD1-CD1 3.88Å; I268-L323 HydrophobicContact CD1-CD2 3.66Å; I268-L323 HydrophobicContact CD1-CG 4.46Å; I268-L323 HydrophobicContact CG1-CD2 3.88Å |
| 269 | T | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.7 | -49.1 | 178.9 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | N199 P200 I203 S265 L266 G267 L271 H272 L273 | N199-T269 WeakPolarHBondContact CA-OG1 3.33Å; P200-T269 HydrophobicContact CG-CG2 3.99Å; I203-T269 HydrophobicContact CD1-CG2 3.54Å; S265-T269 VanDerWaalsContact O-CB 3.26Å; S265-T269 WeakPolarHBondContact O-CB 3.47Å; S265-T269 PolarHBondContact O-N 2.94Å; S265-T269 PolarHBondContact O-OG1 3.03Å; L266-T269 WeakPolarHBondContact O-CB 3.26Å; L266-T269 PolarHBondContact O-N 3.05Å; L266-T269 VanDerWaalsContact O-N 3.16Å; G267-T269 VanDerWaalsContact C-N 3.29Å; G267-T269 PolarHBondContact O-N 3.32Å; T269-L271 VanDerWaalsContact C-N 3.35Å; T269-L271 PolarHBondContact O-N 3.46Å; T269-H272 PolarHBondContact O-N 2.84Å; T269-L273 HydrophobicContact CG2-CD1 3.96Å; T269-L273 WeakPolarHBondContact O-CB 3.49Å; T269-L273 VanDerWaalsContact O-CG 3.28Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 3.33Å |
| 270 | V | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63 | -43.9 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | A178 L266 G267 H272 L273 Y274 L315 F318 V319 | A178-V270 HydrophobicContact CB-CG2 4.2Å; L266-V270 HydrophobicContact CD1-CG2 4.05Å; L266-V270 HydrophobicContact CG-CG2 4.46Å; L266-V270 WeakPolarHBondContact O-CG2 3.46Å; L266-V270 PolarHBondContact O-N 2.86Å; G267-V270 PolarHBondContact O-N 3.2Å; V270-H272 PolarHBondContact O-N 3.45Å; V270-L273 PolarHBondContact O-N 2.97Å; V270-Y274 WeakPolarHBondContact O-CB 3.38Å; V270-Y274 PolarHBondContact O-N 2.67Å; V270-L315 HydrophobicContact CG1-CD1 3.87Å; V270-F318 HydrophobicContact CB-CE1 4.5Å; V270-F318 HydrophobicContact CG1-CD1 4.37Å; V270-F318 HydrophobicContact CG1-CE1 4.46Å; V270-F318 HydrophobicContact CG2-CE1 4.06Å; V270-V319 HydrophobicContact CG1-CG2 4.29Å |
| 271 | L | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -38.7 | 177.8 | -177.3 | 57.7 | 0 | 0 | 0 | 112.4 | G267 I268 T269 Y274 Q275 P279 P302 V304 V319 L323 | G267-L271 WeakPolarHBondContact O-CB 3.28Å; G267-L271 PolarHBondContact O-N 3.17Å; I268-L271 PolarHBondContact O-N 3.44Å; T269-L271 VanDerWaalsContact C-N 3.35Å; T269-L271 PolarHBondContact O-N 3.46Å; L271-Y274 PolarHBondContact O-N 3.3Å; L271-Q275 HydrophobicContact CD1-CG 4.14Å; L271-Q275 VanDerWaalsContact CD1-NE2 3.26Å; L271-Q275 VanDerWaalsContact CG-NE2 3.31Å; L271-Q275 WeakPolarHBondContact O-CB 3.43Å; L271-Q275 WeakPolarHBondContact O-CG 3.34Å; L271-Q275 PolarHBondContact O-N 3.39Å; L271-P279 HydrophobicContact CD2-CB 4.28Å; L271-P279 HydrophobicContact CD2-CG 3.89Å; L271-P279 HydrophobicContact CG-CG 4.19Å; L271-P302 HydrophobicContact CD2-CB 3.67Å; L271-V304 HydrophobicContact CD1-CG2 3.75Å; L271-V319 HydrophobicContact CB-CG1 4.28Å; L271-V319 HydrophobicContact CB-CG2 4.46Å; L271-V319 HydrophobicContact CD1-CG1 4.44Å; L271-V319 HydrophobicContact CD2-CG1 4.15Å; L271-L323 HydrophobicContact CD2-CD1 4.15Å |
| 272 | H | 97.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.4 | -51.6 | 173.8 | 178.8 | -177 | 0 | 0 | 0 | 110.7 | Y241 I268 T269 V270 Y274 Q275 G276 Y277 C278 | Y241-H272 AromaticContact CZ-ND1 3.81Å; Y241-H272 PolarHBondContact OH-CE1 3.49Å; Y241-H272 VanDerWaalsContact OH-CE1 3.28Å; Y241-H272 PolarHBondContact OH-ND1 3.35Å; I268-H272 VanDerWaalsContact O-CB 3.23Å; I268-H272 WeakPolarHBondContact O-CB 3.25Å; I268-H272 PolarHBondContact O-N 2.55Å; T269-H272 PolarHBondContact O-N 2.84Å; V270-H272 PolarHBondContact O-N 3.45Å; H272-Y274 PolarHBondContact O-N 3.15Å; H272-Q275 PolarHBondContact O-N 3.39Å; H272-G276 WeakPolarHBondContact O-CA 3.42Å; H272-G276 PolarHBondContact O-N 3.46Å; H272-Y277 WeakPolarHBondContact CA-O 3.37Å; H272-Y277 PolarHBondContact CD2-O 2.79Å; H272-C278 PolarHBondContact CD2-N 3.47Å; H272-C278 PolarHBondContact NE2-N 2.74Å |
| 273 | L | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -33.9 | 179.7 | -68.8 | 170.7 | 0 | 0 | 0 | 112 | L157 L161 G168 L169 L174 V177 P200 T269 V270 | L157-L273 HydrophobicContact CB-CD2 3.87Å; L157-L273 HydrophobicContact CD1-CD1 3.77Å; L161-L273 HydrophobicContact CD2-CD2 4.47Å; G168-L273 CarbonylContact C-O 3.5Å; G168-L273 WeakPolarHBondContact CA-O 3.18Å; L169-L273 HydrophobicContact CD1-CB 4.27Å; L169-L273 HydrophobicContact CD1-CD2 4.17Å; L169-L273 HydrophobicContact CG-CB 4.33Å; L169-L273 PolarHBondContact N-O 2.89Å; L174-L273 HydrophobicContact CD2-CB 3.43Å; L174-L273 VanDerWaalsContact CD2-CB 3.43Å; L174-L273 HydrophobicContact CD2-CD1 4.42Å; V177-L273 HydrophobicContact CG1-CD1 4.15Å; P200-L273 HydrophobicContact CB-CD2 4.09Å; P200-L273 HydrophobicContact CG-CD2 4.08Å; P200-L273 HydrophobicContact CG-CG 4.14Å; T269-L273 HydrophobicContact CG2-CD1 3.96Å; T269-L273 WeakPolarHBondContact O-CB 3.49Å; T269-L273 VanDerWaalsContact O-CG 3.28Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 3.33Å; V270-L273 PolarHBondContact O-N 2.97Å |
| 274 | Y | 97.8 | Very high | 87.7 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.5 | -48.4 | 175 | 173.5 | -105.8 | 0 | 0 | 0 | 113.6 | G168 L174 V270 L271 H272 G276 V304 D308 R310 A311 L315 | G168-Y274 WeakPolarHBondContact CA-O 3.37Å; L174-Y274 HydrophobicContact CD1-CD2 3.78Å; L174-Y274 HydrophobicContact CD1-CG 4.17Å; V270-Y274 WeakPolarHBondContact O-CB 3.38Å; V270-Y274 PolarHBondContact O-N 2.67Å; L271-Y274 PolarHBondContact O-N 3.3Å; H272-Y274 PolarHBondContact O-N 3.15Å; Y274-G276 VanDerWaalsContact C-N 3.34Å; Y274-V304 HydrophobicContact CD1-CG2 4.38Å; Y274-V304 HydrophobicContact CE1-CG1 3.92Å; Y274-V304 HydrophobicContact CE1-CG2 4.42Å; Y274-D308 VanDerWaalsContact CE1-OD2 3.25Å; Y274-D308 WeakPolarHBondContact CE1-OD2 3.5Å; Y274-D308 PolarHBondContact OH-OD1 3.45Å; Y274-D308 PolarHBondContact OH-OD2 3.34Å; Y274-R310 PolarHBondContact OH-NH2 3.49Å; Y274-A311 HydrophobicContact CE1-CB 4.24Å; Y274-A311 HydrophobicContact CE2-CB 4.44Å; Y274-A311 WeakPolarHBondContact OH-CB 3.46Å; Y274-A311 PolarHBondContact OH-N 3.44Å; Y274-L315 HydrophobicContact CD1-CD2 4.07Å; Y274-L315 HydrophobicContact CD2-CD2 3.36Å; Y274-L315 HydrophobicContact CE1-CD2 4.3Å; Y274-L315 HydrophobicContact CE2-CD2 3.58Å; Y274-L315 HydrophobicContact CG-CD2 3.64Å |
| 275 | Q | 95.3 | Very high | 85.6 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.6 | -23.9 | -177.3 | -70.4 | -174.1 | 92.8 | 0 | 0 | 112.5 | L271 H272 Y277 | L271-Q275 HydrophobicContact CD1-CG 4.14Å; L271-Q275 VanDerWaalsContact CD1-NE2 3.26Å; L271-Q275 VanDerWaalsContact CG-NE2 3.31Å; L271-Q275 WeakPolarHBondContact O-CB 3.43Å; L271-Q275 WeakPolarHBondContact O-CG 3.34Å; L271-Q275 PolarHBondContact O-N 3.39Å; H272-Q275 PolarHBondContact O-N 3.39Å; Q275-Y277 VanDerWaalsContact C-N 3.27Å; Q275-Y277 HydrophobicContact CB-CD1 4.07Å; Q275-Y277 HydrophobicContact CB-CE1 3.83Å; Q275-Y277 HydrophobicContact CB-CE2 4.32Å; Q275-Y277 HydrophobicContact CB-CG 4.45Å; Q275-Y277 WeakPolarHBondContact O-CD1 3.41Å; Q275-Y277 VanDerWaalsContact OE1-CZ 3.32Å; Q275-Y277 PolarHBondContact OE1-OH 3.43Å |
| 276 | G | 94.9 | Very high | 83.6 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 82.3 | 2.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G166 H272 Y274 | G166-G276 WeakPolarHBondContact O-CA 3.43Å; H272-G276 WeakPolarHBondContact O-CA 3.42Å; H272-G276 PolarHBondContact O-N 3.46Å; Y274-G276 VanDerWaalsContact C-N 3.34Å |
| 277 | Y | 91.9 | Very high | 82 | Confident | 129 Ų | 129 | 50.5 Ų | 50.5 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -145.6 | 152.1 | 173 | 59.9 | -93.5 | 0 | 0 | 0 | 110.8 | H272 Q275 | H272-Y277 WeakPolarHBondContact CA-O 3.37Å; H272-Y277 PolarHBondContact CD2-O 2.79Å; Q275-Y277 VanDerWaalsContact C-N 3.27Å; Q275-Y277 HydrophobicContact CB-CD1 4.07Å; Q275-Y277 HydrophobicContact CB-CE1 3.83Å; Q275-Y277 HydrophobicContact CB-CE2 4.32Å; Q275-Y277 HydrophobicContact CB-CG 4.45Å; Q275-Y277 WeakPolarHBondContact O-CD1 3.41Å; Q275-Y277 VanDerWaalsContact OE1-CZ 3.32Å; Q275-Y277 PolarHBondContact OE1-OH 3.43Å |
| 278 | C | 90.7 | Very high | 81.1 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | trans | -73.5 | 123.7 | 178.3 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | H272 A280 R281 | H272-C278 PolarHBondContact CD2-N 3.47Å; H272-C278 PolarHBondContact NE2-N 2.74Å; C278-A280 PolarHBondContact O-N 3.4Å; C278-R281 HydrophobicContact CB-CB 4.45Å; C278-R281 HydrophobicContact CB-CG 3.9Å; C278-R281 PolarHBondContact O-N 3.01Å | ||
| 279 | P | 84.1 | Confident | 80.3 | Confident | 42 Ų | 42 | 56.9 Ų | 56.9 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -28.4 | -176.3 | 26.6 | -35.5 | 0 | 0 | 0 | 112.8 | I268 L271 P302 | I268-P279 HydrophobicContact CG2-CG 4.43Å; L271-P279 HydrophobicContact CD2-CB 4.28Å; L271-P279 HydrophobicContact CD2-CG 3.89Å; L271-P279 HydrophobicContact CG-CG 4.19Å; P279-P302 HydrophobicContact CB-CB 4.03Å; P279-P302 HydrophobicContact CG-CB 4Å; P279-P302 HydrophobicContact CG-CG 4.47Å |
| 280 | A | 73.6 | Confident | 79.6 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | E240 C278 P282 | E240-A280 HydrophobicContact CB-CB 4.1Å; E240-A280 WeakPolarHBondContact O-CB 3.28Å; C278-A280 PolarHBondContact O-N 3.4Å; A280-P282 WeakPolarHBondContact O-CD 3.46Å; A280-P282 VanDerWaalsContact O-N 3.15Å |
| 281 | R | 67.7 | Low | 78.9 | Confident | 163 Ų | 163 | 69.2 Ų | 69.2 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | trans | -66.9 | 110.8 | 174.7 | -95.1 | 179.6 | -180 | -139.1 | 2.1 | 109.4 | C278 | C278-R281 HydrophobicContact CB-CB 4.45Å; C278-R281 HydrophobicContact CB-CG 3.9Å; C278-R281 PolarHBondContact O-N 3.01Å | ||
| 282 | P | 57.1 | Low | 78.3 | Confident | 35 Ų | 35 | 70 Ų | 70 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | trans | -65 | 144.8 | 177.2 | -5.5 | 19.2 | 0 | 0 | 0 | 109.4 | A280 K286 L292 | A280-P282 WeakPolarHBondContact O-CD 3.46Å; A280-P282 VanDerWaalsContact O-N 3.15Å; P282-K286 HydrophobicContact CB-CB 3.88Å; P282-K286 VanDerWaalsContact CB-O 3.31Å; P282-K286 WeakPolarHBondContact CB-O 3.48Å; P282-L292 HydrophobicContact CG-CD1 4.48Å | ||
| 283 | L | 54.8 | Low | 77.7 | Confident | 117 Ų | 117 | 71 Ų | 71 | 61% | 0.613 | 35% | 0.354 | S | S | * | . | trans | -50.9 | 149.2 | 161.8 | -70.4 | 170.5 | 0 | 0 | 0 | 109.1 | S285 K286 | L283-S285 PolarHBondContact O-N 3.38Å; L283-K286 PolarHBondContact O-N 3.08Å | ||
| 284 | P | 55 | Low | 77.2 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -48.7 | -31.3 | -177.5 | -29 | 34.4 | 0 | 0 | 0 | 114.8 | K286 | P284-K286 VanDerWaalsContact C-N 3.32Å; P284-K286 PolarHBondContact O-N 2.96Å |
| 285 | S | 52.7 | Low | 76.8 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 75% | 0.748 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -75.4 | -8.6 | 177.4 | 56.6 | 0 | 0 | 0 | 0 | 115.8 | L283 | L283-S285 PolarHBondContact O-N 3.38Š|
| 286 | K | 55.4 | Low | 76.5 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -119.8 | 21.2 | -174.2 | -65.6 | -173.5 | 176.5 | -178.8 | 0 | 113.5 | P282 L283 P284 T288 | P282-K286 HydrophobicContact CB-CB 3.88Å; P282-K286 VanDerWaalsContact CB-O 3.31Å; P282-K286 WeakPolarHBondContact CB-O 3.48Å; L283-K286 PolarHBondContact O-N 3.08Å; P284-K286 VanDerWaalsContact C-N 3.32Å; P284-K286 PolarHBondContact O-N 2.96Å; K286-T288 VanDerWaalsContact C-N 3.35Å; K286-T288 PolarHBondContact O-N 3.45Å |
| 287 | R | 65.4 | Low | 76.2 | Confident | 176 Ų | 176 | 81.8 Ų | 81.8 | 66% | 0.664 | 40% | 0.401 | S | S | * | . | trans | -77.1 | 0.7 | -167.7 | -75.5 | -171.7 | 179.5 | 173.5 | 3.7 | 117.2 | L289 | R287-L289 PolarHBondContact O-N 3.24Š| ||
| 288 | T | 80.2 | Confident | 76.1 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | trans | -68.5 | 133.1 | -179.5 | -43.2 | 0 | 0 | 0 | 0 | 110.7 | K286 E290 R291 L292 | K286-T288 VanDerWaalsContact C-N 3.35Å; K286-T288 PolarHBondContact O-N 3.45Å; T288-E290 HydrophobicContact CG2-CB 4.07Å; T288-E290 HydrophobicContact CG2-CG 4.19Å; T288-E290 PolarHBondContact O-N 2.96Å; T288-R291 PolarHBondContact O-N 3.47Å; T288-L292 PolarHBondContact O-N 3.44Å | ||
| 289 | L | 79.7 | Confident | 76.1 | Confident | 60 Ų | 60 | 82 Ų | 82 | 31% | 0.314 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.3 | -35.4 | 176.2 | -68.5 | -175.1 | 0 | 0 | 0 | 112.7 | H35 P239 R287 R291 L292 S293 | H35-L289 HydrophobicContact CB-CD1 3.21Å; H35-L289 HydrophobicContact CB-CG 4.34Å; P239-L289 HydrophobicContact CB-CD2 3.9Å; P239-L289 HydrophobicContact CG-CD2 3.51Å; R287-L289 PolarHBondContact O-N 3.24Å; L289-R291 VanDerWaalsContact C-N 3.32Å; L289-R291 PolarHBondContact O-N 2.86Å; L289-L292 PolarHBondContact O-N 3.16Å; L289-S293 WeakPolarHBondContact O-CB 3.48Å; L289-S293 PolarHBondContact O-N 3.48Å |
| 290 | E | 83 | Confident | 76.4 | Confident | 139 Ų | 139 | 88.3 Ų | 88.3 | 65% | 0.65 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.3 | -42.7 | 174.6 | -62 | -179.1 | 164 | 0 | 0 | 112.1 | T288 Y294 | T288-E290 HydrophobicContact CG2-CB 4.07Å; T288-E290 HydrophobicContact CG2-CG 4.19Å; T288-E290 PolarHBondContact O-N 2.96Å; E290-Y294 VanDerWaalsContact O-CB 3.32Å; E290-Y294 WeakPolarHBondContact O-CB 3.08Å; E290-Y294 PolarHBondContact O-N 2.98Å |
| 291 | R | 84.1 | Confident | 77.3 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 46% | 0.457 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.5 | -41.5 | -179.9 | -178 | 62.7 | -167 | -166.4 | 8.2 | 111.4 | T288 L289 Y294 E295 | T288-R291 PolarHBondContact O-N 3.47Å; L289-R291 VanDerWaalsContact C-N 3.32Å; L289-R291 PolarHBondContact O-N 2.86Å; R291-Y294 WeakPolarHBondContact O-CB 3.41Å; R291-Y294 PolarHBondContact O-N 3.03Å; R291-E295 IonicContact NH2-OE2 3.54Å; R291-E295 WeakPolarHBondContact O-CB 3.35Å; R291-E295 PolarHBondContact O-N 2.82Å |
| 292 | L | 85.3 | Confident | 78.6 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 175.6 | 179.8 | 58.6 | 0 | 0 | 0 | 111 | P239 E240 P282 T288 L289 Y294 E295 I296 | P239-L292 HydrophobicContact CB-CD2 3.47Å; P239-L292 VanDerWaalsContact CB-CD2 3.47Å; E240-L292 HydrophobicContact CG-CD2 4.3Å; P282-L292 HydrophobicContact CG-CD1 4.48Å; T288-L292 PolarHBondContact O-N 3.44Å; L289-L292 PolarHBondContact O-N 3.16Å; L292-Y294 VanDerWaalsContact C-N 3.3Å; L292-Y294 PolarHBondContact O-N 2.91Å; L292-E295 PolarHBondContact O-N 3.5Å; L292-E295 VanDerWaalsContact O-N 3.16Å; L292-I296 HydrophobicContact CD1-CD1 3.95Å; L292-I296 HydrophobicContact CD1-CG1 4.2Å; L292-I296 HydrophobicContact CG-CD1 3.84Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.24Å; L292-I296 PolarHBondContact O-N 3Å |
| 293 | S | 85 | Confident | 80.4 | Confident | 30 Ų | 30 | 85.1 Ų | 85.1 | 21% | 0.21 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | C247 L289 S297 | C247-S293 WeakPolarHBondContact CB-OG 3.48Å; L289-S293 WeakPolarHBondContact O-CB 3.48Å; L289-S293 PolarHBondContact O-N 3.48Å; S293-S297 VanDerWaalsContact O-CB 3.24Å; S293-S297 WeakPolarHBondContact O-CB 3.41Å; S293-S297 PolarHBondContact O-N 2.8Å; S293-S297 PolarHBondContact O-OG 3.33Å |
| 294 | Y | 87.6 | Confident | 82.4 | Confident | 123 Ų | 123 | 79.7 Ų | 79.7 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 175 | -177.3 | -89.2 | 0 | 0 | 0 | 112.1 | E290 R291 L292 S297 H298 | E290-Y294 VanDerWaalsContact O-CB 3.32Å; E290-Y294 WeakPolarHBondContact O-CB 3.08Å; E290-Y294 PolarHBondContact O-N 2.98Å; R291-Y294 WeakPolarHBondContact O-CB 3.41Å; R291-Y294 PolarHBondContact O-N 3.03Å; L292-Y294 VanDerWaalsContact C-N 3.3Å; L292-Y294 PolarHBondContact O-N 2.91Å; Y294-S297 PolarHBondContact O-N 3.41Å; Y294-H298 AromaticContact CD2-CE1 3.85Å; Y294-H298 AromaticContact CD2-ND1 3.42Å; Y294-H298 WeakPolarHBondContact CD2-ND1 3.23Å; Y294-H298 HydrophobicContact CE1-CB 4.19Å; Y294-H298 HydrophobicContact CE2-CB 4.49Å; Y294-H298 AromaticContact CE2-CE1 3.92Å; Y294-H298 AromaticContact CE2-CG 4Å; Y294-H298 AromaticContact CE2-ND1 3.53Å; Y294-H298 AromaticContact CG-ND1 3.86Å; Y294-H298 WeakPolarHBondContact O-CB 3.38Å; Y294-H298 PolarHBondContact O-N 3.28Å; Y294-H298 PolarHBondContact O-ND1 3Å; Y294-H298 VanDerWaalsContact O-ND1 3.08Å |
| 295 | E | 88.7 | Confident | 84.2 | Confident | 91 Ų | 91 | 77.2 Ų | 77.2 | 43% | 0.425 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 179 | -165.5 | 68.7 | -145.7 | 0 | 0 | 111.4 | R291 L292 S297 H298 G299 | R291-E295 IonicContact NH2-OE2 3.54Å; R291-E295 WeakPolarHBondContact O-CB 3.35Å; R291-E295 PolarHBondContact O-N 2.82Å; L292-E295 PolarHBondContact O-N 3.5Å; L292-E295 VanDerWaalsContact O-N 3.16Å; E295-S297 VanDerWaalsContact C-N 3.27Å; E295-S297 PolarHBondContact O-N 3.28Å; E295-H298 PolarHBondContact O-N 3.28Å; E295-G299 VanDerWaalsContact O-CA 3.27Å; E295-G299 WeakPolarHBondContact O-CA 3.42Å; E295-G299 PolarHBondContact O-N 3.45Å |
| 296 | I | 89.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 176.1 | -66.9 | 167.1 | 0 | 0 | 0 | 110.3 | P239 M242 P244 W264 L292 K325 | P239-I296 WeakPolarHBondContact O-CD1 3.24Å; M242-I296 HydrophobicContact CB-CD1 4.42Å; M242-I296 WeakPolarHBondContact O-CG2 3.38Å; P244-I296 HydrophobicContact CB-CG2 4.33Å; P244-I296 HydrophobicContact CG-CG2 4Å; W264-I296 HydrophobicContact CZ2-CG2 4.34Å; L292-I296 HydrophobicContact CD1-CD1 3.95Å; L292-I296 HydrophobicContact CD1-CG1 4.2Å; L292-I296 HydrophobicContact CG-CD1 3.84Å; L292-I296 VanDerWaalsContact O-CG1 3.28Å; L292-I296 WeakPolarHBondContact O-CG1 3.24Å; L292-I296 PolarHBondContact O-N 3Å; I296-K325 WeakPolarHBondContact O-CE 3.43Å |
| 297 | S | 89.1 | Confident | 87.9 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 25% | 0.245 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.1 | -40.3 | -178 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | C247 S293 Y294 E295 K325 | C247-S297 WeakPolarHBondContact CB-OG 3.36Å; S293-S297 VanDerWaalsContact O-CB 3.24Å; S293-S297 WeakPolarHBondContact O-CB 3.41Å; S293-S297 PolarHBondContact O-N 2.8Å; S293-S297 PolarHBondContact O-OG 3.33Å; Y294-S297 PolarHBondContact O-N 3.41Å; E295-S297 VanDerWaalsContact C-N 3.27Å; E295-S297 PolarHBondContact O-N 3.28Å; S297-K325 VanDerWaalsContact C-NZ 3.3Å; S297-K325 PolarHBondContact O-NZ 3.27Å |
| 298 | H | 89.3 | Confident | 89.3 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -118.7 | -25.1 | -167.1 | -55.3 | 93.6 | 0 | 0 | 0 | 115.4 | Y294 E295 K325 | Y294-H298 AromaticContact CD2-CE1 3.85Å; Y294-H298 AromaticContact CD2-ND1 3.42Å; Y294-H298 WeakPolarHBondContact CD2-ND1 3.23Å; Y294-H298 HydrophobicContact CE1-CB 4.19Å; Y294-H298 HydrophobicContact CE2-CB 4.49Å; Y294-H298 AromaticContact CE2-CE1 3.92Å; Y294-H298 AromaticContact CE2-CG 4Å; Y294-H298 AromaticContact CE2-ND1 3.53Å; Y294-H298 AromaticContact CG-ND1 3.86Å; Y294-H298 WeakPolarHBondContact O-CB 3.38Å; Y294-H298 PolarHBondContact O-N 3.28Å; Y294-H298 PolarHBondContact O-ND1 3Å; Y294-H298 VanDerWaalsContact O-ND1 3.08Å; E295-H298 PolarHBondContact O-N 3.28Å; H298-K325 PolarHBondContact O-NZ 3.24Å |
| 299 | G | 89.9 | Confident | 89.9 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -77.7 | 167.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E295 K325 | E295-G299 VanDerWaalsContact O-CA 3.27Å; E295-G299 WeakPolarHBondContact O-CA 3.42Å; E295-G299 PolarHBondContact O-N 3.45Å; G299-K325 WeakPolarHBondContact O-CE 3.42Å; G299-K325 PolarHBondContact O-NZ 3.35Å |
| 300 | E | 91.4 | Very high | 90.6 | Very high | 176 Ų | 176 | 81.5 Ų | 81.5 | 82% | 0.822 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 140.4 | 178.4 | -72.7 | -63.6 | 133.4 | 0 | 0 | 111.4 | ||
| 301 | P | 92.9 | Very high | 91.3 | Very high | 40 Ų | 40 | 75.4 Ų | 75.4 | 26% | 0.26 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 140.5 | 175.3 | 26.9 | -32.6 | 0 | 0 | 0 | 109.9 | W264 S303 L323 | W264-P301 HydrophobicContact CH2-CB 4.33Å; P301-S303 PolarHBondContact O-N 3.1Å; P301-L323 HydrophobicContact CB-CB 4.38Å; P301-L323 WeakPolarHBondContact CB-O 3.46Å |
| 302 | P | 94 | Very high | 91.9 | Very high | 34 Ų | 34 | 71 Ų | 71 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 139.5 | 175.6 | -27 | 36.2 | 0 | 0 | 0 | 111.6 | I268 L271 P279 L323 | I268-P302 HydrophobicContact CD1-CB 4.18Å; I268-P302 HydrophobicContact CD1-CG 3.8Å; L271-P302 HydrophobicContact CD2-CB 3.67Å; P279-P302 HydrophobicContact CB-CB 4.03Å; P279-P302 HydrophobicContact CG-CB 4Å; P279-P302 HydrophobicContact CG-CG 4.47Å; P302-L323 HydrophobicContact CB-CD1 4.15Å; P302-L323 WeakPolarHBondContact O-CD1 3.43Å |
| 303 | S | 95.7 | Very high | 92.5 | Very high | 77 Ų | 77 | 76.2 Ų | 76.2 | 54% | 0.538 | 40% | 0.397 | S | S | . | . | trans | -140.2 | 170.6 | 177 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | P301 | P301-S303 PolarHBondContact O-N 3.1Š| ||
| 304 | V | 95.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 78.5 Ų | 78.5 | 2% | 0.024 | 40% | 0.404 | C | S | . | . | trans | -70 | 127.3 | 167 | -180 | 0 | 0 | 0 | 0 | 108 | L271 Y274 D306 D308 A311 R316 | L271-V304 HydrophobicContact CD1-CG2 3.75Å; Y274-V304 HydrophobicContact CD1-CG2 4.38Å; Y274-V304 HydrophobicContact CE1-CG1 3.92Å; Y274-V304 HydrophobicContact CE1-CG2 4.42Å; V304-D306 PolarHBondContact O-N 2.9Å; V304-D308 HydrophobicContact CG1-CB 4.16Å; V304-A311 HydrophobicContact CG1-CB 3.56Å; V304-R316 HydrophobicContact CB-CG 4.16Å; V304-R316 HydrophobicContact CG2-CG 4.36Å; V304-R316 PolarHBondContact O-NH1 3.11Å; V304-R316 VanDerWaalsContact O-NH1 3.15Å | ||
| 305 | P | 93.3 | Very high | 93.7 | Very high | 43 Ų | 43 | 72.7 Ų | 72.7 | 28% | 0.279 | 38% | 0.381 | S | S | . | . | trans | -53.1 | 138.3 | 177.9 | -25.9 | 34.2 | 0 | 0 | 0 | 112 | E307 D308 R316 | P305-E307 WeakPolarHBondContact CB-OE2 3.43Å; P305-E307 PolarHBondContact O-N 2.81Å; P305-D308 WeakPolarHBondContact O-CB 3.19Å; P305-D308 PolarHBondContact O-N 3.16Å; P305-R316 PolarHBondContact O-NH1 3.14Å; P305-R316 PolarHBondContact O-NH2 3.12Å | ||
| 306 | D | 93 | Very high | 94.1 | Very high | 139 Ų | 139 | 70.9 Ų | 70.9 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -26.8 | -177 | -71.6 | -26.2 | 0 | 0 | 0 | 112.4 | V304 D308 R316 | V304-D306 PolarHBondContact O-N 2.9Å; D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 3.23Å; D306-R316 IonicContact OD1-NH1 3.01Å |
| 307 | E | 93.4 | Very high | 94.5 | Very high | 158 Ų | 158 | 71.2 Ų | 71.2 | 74% | 0.738 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.3 | 177.9 | -47.3 | 83.4 | -178.9 | 0 | 0 | 113.1 | P305 T309 | P305-E307 WeakPolarHBondContact CB-OE2 3.43Å; P305-E307 PolarHBondContact O-N 2.81Å; E307-T309 PolarHBondContact O-N 3.06Å |
| 308 | D | 94.2 | Very high | 95 | Very high | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | trans | -79.4 | 85.8 | -179.7 | -166.7 | -0.8 | 0 | 0 | 0 | 111.6 | Y274 V304 P305 D306 R310 A311 R316 | Y274-D308 VanDerWaalsContact CE1-OD2 3.25Å; Y274-D308 WeakPolarHBondContact CE1-OD2 3.5Å; Y274-D308 PolarHBondContact OH-OD1 3.45Å; Y274-D308 PolarHBondContact OH-OD2 3.34Å; V304-D308 HydrophobicContact CG1-CB 4.16Å; P305-D308 WeakPolarHBondContact O-CB 3.19Å; P305-D308 PolarHBondContact O-N 3.16Å; D306-D308 VanDerWaalsContact C-N 3.27Å; D306-D308 PolarHBondContact O-N 3.23Å; D308-R310 PolarHBondContact O-N 3.17Å; D308-R310 VanDerWaalsContact O-N 3.16Å; D308-R310 WeakPolarHBondContact OD1-CB 3.13Å; D308-R310 IonicContact OD1-CZ 3.33Å; D308-R310 PolarHBondContact OD1-N 2.8Å; D308-R310 IonicContact OD1-NE 3.72Å; D308-R310 PolarHBondContact OD1-NE 2.92Å; D308-R310 IonicContact OD1-NH2 2.68Å; D308-R310 PolarHBondContact OD1-NH2 3.42Å; D308-R310 IonicContact OD2-CZ 2.7Å; D308-R310 IonicContact OD2-NE 3.09Å; D308-R310 IonicContact OD2-NH2 3.87Å; D308-R310 PolarHBondContact OD2-NH2 3.28Å; D308-A311 PolarHBondContact O-N 3.42Å; D308-R316 PolarHBondContact O-NH2 2.98Å | ||
| 309 | T | 92.8 | Very high | 95.4 | Very high | 135 Ų | 135 | 63.7 Ų | 63.7 | 83% | 0.828 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -5.6 | -179.5 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | E307 A311 | E307-T309 PolarHBondContact O-N 3.06Å; T309-A311 VanDerWaalsContact C-N 3.34Å |
| 310 | R | 94.7 | Very high | 95.8 | Very high | 169 Ų | 169 | 66.2 Ų | 66.2 | 64% | 0.638 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -23.2 | 176.5 | -57 | 173 | -60.6 | 131.5 | 4.2 | 112.4 | Y274 D308 | Y274-R310 PolarHBondContact OH-NH2 3.49Å; D308-R310 PolarHBondContact O-N 3.17Å; D308-R310 VanDerWaalsContact O-N 3.16Å; D308-R310 WeakPolarHBondContact OD1-CB 3.13Å; D308-R310 IonicContact OD1-CZ 3.33Å; D308-R310 PolarHBondContact OD1-N 2.8Å; D308-R310 IonicContact OD1-NE 3.72Å; D308-R310 PolarHBondContact OD1-NE 2.92Å; D308-R310 IonicContact OD1-NH2 2.68Å; D308-R310 PolarHBondContact OD1-NH2 3.42Å; D308-R310 IonicContact OD2-CZ 2.7Å; D308-R310 IonicContact OD2-NE 3.09Å; D308-R310 IonicContact OD2-NH2 3.87Å; D308-R310 PolarHBondContact OD2-NH2 3.28Å |
| 311 | A | 97.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 59 Ų | 59 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -78.8 | 127.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E171 Y274 V304 D308 T309 L315 R316 | E171-A311 VanDerWaalsContact OE1-CA 3.26Å; E171-A311 WeakPolarHBondContact OE1-CA 3.48Å; Y274-A311 HydrophobicContact CE1-CB 4.24Å; Y274-A311 HydrophobicContact CE2-CB 4.44Å; Y274-A311 WeakPolarHBondContact OH-CB 3.46Å; Y274-A311 PolarHBondContact OH-N 3.44Å; V304-A311 HydrophobicContact CG1-CB 3.56Å; D308-A311 PolarHBondContact O-N 3.42Å; T309-A311 VanDerWaalsContact C-N 3.34Å; A311-L315 HydrophobicContact CB-CD2 4.18Å; A311-R316 HydrophobicContact CB-CG 4.22Å |
| 312 | S | 97.8 | Very high | 96.4 | Very high | 29 Ų | 29 | 57 Ų | 57 | 20% | 0.203 | 31% | 0.314 | C | S | . | . | trans | -66.4 | 160.6 | 173.2 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | E171 E314 L315 R316 | E171-S312 VanDerWaalsContact CD-OG 3.32Å; E171-S312 PolarHBondContact OE1-N 3.36Å; E171-S312 PolarHBondContact OE1-OG 2.86Å; E171-S312 WeakPolarHBondContact OE2-CB 3.31Å; E171-S312 PolarHBondContact OE2-OG 3.33Å; S312-E314 VanDerWaalsContact CB-OE2 3.31Å; S312-E314 WeakPolarHBondContact CB-OE2 3.3Å; S312-E314 PolarHBondContact O-N 2.94Å; S312-L315 PolarHBondContact O-N 2.98Å; S312-L315 WeakPolarHBondContact OG-CB 3.31Å; S312-L315 PolarHBondContact OG-N 2.88Å; S312-R316 WeakPolarHBondContact O-CG 3.39Å; S312-R316 PolarHBondContact O-N 2.82Å; S312-R316 VanDerWaalsContact O-N 3.12Å | ||
| 313 | I | 97.7 | Very high | 96.6 | Very high | 125 Ų | 125 | 55.6 Ų | 55.6 | 64% | 0.641 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.4 | -31 | 174.2 | -171.9 | 63.2 | 0 | 0 | 0 | 110.6 | G317 | I313-G317 PolarHBondContact O-N 3.26Å |
| 314 | E | 98.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67 | -47.3 | 177 | -64.6 | 73.6 | -160.3 | 0 | 0 | 111.3 | S312 G317 F318 H339 P340 F341 | S312-E314 VanDerWaalsContact CB-OE2 3.31Å; S312-E314 WeakPolarHBondContact CB-OE2 3.3Å; S312-E314 PolarHBondContact O-N 2.94Å; E314-G317 PolarHBondContact O-N 3.09Å; E314-F318 WeakPolarHBondContact O-CB 3.4Å; E314-F318 PolarHBondContact O-N 2.77Å; E314-H339 PolarHBondContact O-CE1 2.84Å; E314-H339 VanDerWaalsContact O-CE1 3.24Å; E314-P340 HydrophobicContact CG-CB 4Å; E314-F341 HydrophobicContact CB-CB 3.99Å; E314-F341 HydrophobicContact CB-CD2 4.09Å |
| 315 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.9 | 174.9 | 64.2 | 0 | 0 | 0 | 111.1 | E171 V270 Y274 A311 S312 G317 F318 V319 F341 | E171-L315 HydrophobicContact CG-CD2 4.09Å; E171-L315 WeakPolarHBondContact OE1-CD2 3.4Å; V270-L315 HydrophobicContact CG1-CD1 3.87Å; Y274-L315 HydrophobicContact CD1-CD2 4.07Å; Y274-L315 HydrophobicContact CD2-CD2 3.36Å; Y274-L315 HydrophobicContact CE1-CD2 4.3Å; Y274-L315 HydrophobicContact CE2-CD2 3.58Å; Y274-L315 HydrophobicContact CG-CD2 3.64Å; A311-L315 HydrophobicContact CB-CD2 4.18Å; S312-L315 PolarHBondContact O-N 2.98Å; S312-L315 WeakPolarHBondContact OG-CB 3.31Å; S312-L315 PolarHBondContact OG-N 2.88Å; L315-G317 VanDerWaalsContact C-N 3.33Å; L315-G317 PolarHBondContact O-N 3.4Å; L315-F318 PolarHBondContact O-N 2.92Å; L315-V319 HydrophobicContact CD1-CG2 4.07Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 3.21Å; L315-F341 HydrophobicContact CB-CD2 4.02Å; L315-F341 HydrophobicContact CB-CE2 3.78Å; L315-F341 HydrophobicContact CB-CZ 4.43Å; L315-F341 HydrophobicContact CD1-CE1 4.11Å; L315-F341 HydrophobicContact CD1-CE2 3.9Å; L315-F341 HydrophobicContact CD1-CZ 3.65Å; L315-F341 HydrophobicContact CG-CE2 4.4Å |
| 316 | R | 98.4 | Very high | 96.6 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.5 | -46 | 177.3 | -72.5 | 175.5 | 177.5 | -85.4 | -3 | 111.4 | V304 P305 D306 D308 A311 S312 S320 | V304-R316 HydrophobicContact CB-CG 4.16Å; V304-R316 HydrophobicContact CG2-CG 4.36Å; V304-R316 PolarHBondContact O-NH1 3.11Å; V304-R316 VanDerWaalsContact O-NH1 3.15Å; P305-R316 PolarHBondContact O-NH1 3.14Å; P305-R316 PolarHBondContact O-NH2 3.12Å; D306-R316 IonicContact OD1-NH1 3.01Å; D308-R316 PolarHBondContact O-NH2 2.98Å; A311-R316 HydrophobicContact CB-CG 4.22Å; S312-R316 WeakPolarHBondContact O-CG 3.39Å; S312-R316 PolarHBondContact O-N 2.82Å; S312-R316 VanDerWaalsContact O-N 3.12Å; R316-S320 VanDerWaalsContact O-CB 3.26Å; R316-S320 WeakPolarHBondContact O-CB 3.36Å; R316-S320 PolarHBondContact O-N 2.88Å |
| 317 | G | 98.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 53 Ų | 53 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I313 E314 L315 S320 A321 H339 | I313-G317 PolarHBondContact O-N 3.26Å; E314-G317 PolarHBondContact O-N 3.09Å; L315-G317 VanDerWaalsContact C-N 3.33Å; L315-G317 PolarHBondContact O-N 3.4Å; G317-S320 PolarHBondContact O-N 3.25Å; G317-A321 WeakPolarHBondContact O-CB 3.11Å; G317-A321 PolarHBondContact O-N 3.1Å; G317-H339 VanDerWaalsContact C-NE2 3.31Å |
| 318 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | -179.2 | -177.4 | -90.2 | 0 | 0 | 0 | 111.9 | A178 L182 L266 V270 E314 L315 S320 A321 C322 L336 H339 F341 V342 | A178-F318 HydrophobicContact CB-CE1 4.22Å; A178-F318 HydrophobicContact CB-CZ 3.95Å; L182-F318 HydrophobicContact CD1-CE2 3.92Å; L182-F318 HydrophobicContact CD1-CZ 4.05Å; L266-F318 HydrophobicContact CD2-CZ 4.42Å; V270-F318 HydrophobicContact CB-CE1 4.5Å; V270-F318 HydrophobicContact CG1-CD1 4.37Å; V270-F318 HydrophobicContact CG1-CE1 4.46Å; V270-F318 HydrophobicContact CG2-CE1 4.06Å; E314-F318 WeakPolarHBondContact O-CB 3.4Å; E314-F318 PolarHBondContact O-N 2.77Å; L315-F318 PolarHBondContact O-N 2.92Å; F318-S320 VanDerWaalsContact C-N 3.35Å; F318-A321 PolarHBondContact O-N 3.31Å; F318-C322 PolarHBondContact O-N 3.01Å; F318-C322 VanDerWaalsContact O-N 3.11Å; F318-C322 PolarHBondContact O-SG 3.28Å; F318-L336 HydrophobicContact CD2-CD2 4.01Å; F318-L336 HydrophobicContact CE2-CB 4.13Å; F318-L336 HydrophobicContact CE2-CD2 3.81Å; F318-L336 HydrophobicContact CE2-CG 4.45Å; F318-L336 HydrophobicContact CZ-CD2 4.36Å; F318-H339 HydrophobicContact CD2-CB 4.14Å; F318-H339 AromaticContact CD2-CG 3.94Å; F318-H339 AromaticContact CD2-ND1 3.83Å; F318-H339 PolarHBondContact N-CE1 3.47Å; F318-H339 PolarHBondContact N-NE2 2.65Å; F318-F341 HydrophobicContact CB-CB 3.79Å; F318-F341 HydrophobicContact CB-CD1 3.92Å; F318-F341 HydrophobicContact CB-CG 3.99Å; F318-F341 HydrophobicContact CD1-CD1 4.06Å; F318-F341 HydrophobicContact CD1-CE1 4.48Å; F318-F341 HydrophobicContact CD2-CB 4.17Å; F318-F341 AromaticContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CG-CB 4.2Å; F318-F341 AromaticContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CG 4.24Å; F318-V342 HydrophobicContact CD2-CG2 4.1Å; F318-V342 HydrophobicContact CE2-CG2 3.64Å; F318-V342 HydrophobicContact CZ-CG2 4.36Å |
| 319 | V | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | V270 L271 L315 A321 C322 L323 | V270-V319 HydrophobicContact CG1-CG2 4.29Å; L271-V319 HydrophobicContact CB-CG1 4.28Å; L271-V319 HydrophobicContact CB-CG2 4.46Å; L271-V319 HydrophobicContact CD1-CG1 4.44Å; L271-V319 HydrophobicContact CD2-CG1 4.15Å; L315-V319 HydrophobicContact CD1-CG2 4.07Å; L315-V319 WeakPolarHBondContact O-CG2 3.44Å; L315-V319 PolarHBondContact O-N 3.21Å; V319-A321 VanDerWaalsContact C-N 3.35Å; V319-A321 PolarHBondContact O-N 3.24Å; V319-C322 PolarHBondContact O-N 3.43Å; V319-L323 HydrophobicContact CG1-CD1 3.66Å; V319-L323 HydrophobicContact CG1-CG 4.29Å; V319-L323 WeakPolarHBondContact O-CB 3.42Å; V319-L323 WeakPolarHBondContact O-CG 3.37Å; V319-L323 PolarHBondContact O-N 3.24Å |
| 320 | S | 98.1 | Very high | 97.1 | Very high | 66 Ų | 66 | 46.2 Ų | 46.2 | 46% | 0.462 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | R316 G317 F318 C322 L323 Q324 | R316-S320 VanDerWaalsContact O-CB 3.26Å; R316-S320 WeakPolarHBondContact O-CB 3.36Å; R316-S320 PolarHBondContact O-N 2.88Å; G317-S320 PolarHBondContact O-N 3.25Å; F318-S320 VanDerWaalsContact C-N 3.35Å; S320-C322 VanDerWaalsContact C-N 3.3Å; S320-C322 PolarHBondContact O-N 3.37Å; S320-L323 PolarHBondContact O-N 3.12Å; S320-Q324 WeakPolarHBondContact O-CG 3.46Å; S320-Q324 PolarHBondContact O-NE2 3.16Å |
| 321 | A | 98.5 | Very high | 97.2 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -34 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G317 F318 V319 A331 L336 | G317-A321 WeakPolarHBondContact O-CB 3.11Å; G317-A321 PolarHBondContact O-N 3.1Å; F318-A321 PolarHBondContact O-N 3.31Å; V319-A321 VanDerWaalsContact C-N 3.35Å; V319-A321 PolarHBondContact O-N 3.24Å; A321-A331 HydrophobicContact CB-CB 3.97Å; A321-A331 PolarHBondContact O-N 3.09Å; A321-L336 HydrophobicContact CB-CD2 3.93Å |
| 322 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.7 | -40.3 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | V263 F318 V319 S320 Q324 R330 L336 | V263-C322 HydrophobicContact CG1-CB 4.08Å; F318-C322 PolarHBondContact O-N 3.01Å; F318-C322 VanDerWaalsContact O-N 3.11Å; F318-C322 PolarHBondContact O-SG 3.28Å; V319-C322 PolarHBondContact O-N 3.43Å; S320-C322 VanDerWaalsContact C-N 3.3Å; S320-C322 PolarHBondContact O-N 3.37Å; C322-Q324 VanDerWaalsContact C-N 3.31Å; C322-Q324 PolarHBondContact O-N 3.34Å; C322-R330 WeakPolarHBondContact O-CD 3.46Å; C322-R330 WeakPolarHBondContact O-CG 3.38Å; C322-L336 VanDerWaalsContact SG-CD1 3.59Å |
| 323 | L | 97.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -96.2 | 40.5 | -169.3 | -59.9 | -176.6 | 0 | 0 | 0 | 113.2 | W264 I268 L271 P301 P302 V319 S320 | W264-L323 HydrophobicContact CD2-CD2 3.85Å; W264-L323 HydrophobicContact CE3-CD2 4.03Å; W264-L323 HydrophobicContact CG-CD2 4.2Å; W264-L323 HydrophobicContact CZ3-CB 4.46Å; W264-L323 HydrophobicContact CZ3-CD2 4.46Å; W264-L323 WeakPolarHBondContact O-CD2 3.16Å; I268-L323 HydrophobicContact CD1-CD1 3.88Å; I268-L323 HydrophobicContact CD1-CD2 3.66Å; I268-L323 HydrophobicContact CD1-CG 4.46Å; I268-L323 HydrophobicContact CG1-CD2 3.88Å; L271-L323 HydrophobicContact CD2-CD1 4.15Å; P301-L323 HydrophobicContact CB-CB 4.38Å; P301-L323 WeakPolarHBondContact CB-O 3.46Å; P302-L323 HydrophobicContact CB-CD1 4.15Å; P302-L323 WeakPolarHBondContact O-CD1 3.43Å; V319-L323 HydrophobicContact CG1-CD1 3.66Å; V319-L323 HydrophobicContact CG1-CG 4.29Å; V319-L323 WeakPolarHBondContact O-CB 3.42Å; V319-L323 WeakPolarHBondContact O-CG 3.37Å; V319-L323 PolarHBondContact O-N 3.24Å; S320-L323 PolarHBondContact O-N 3.12Å | ||
| 324 | Q | 97.3 | Very high | 97.4 | Very high | 61 Ų | 61 | 36.9 Ų | 36.9 | 29% | 0.285 | 23% | 0.227 | S | C | . | . | trans | -82.9 | 126.9 | 170 | -64.1 | -64.7 | -50.5 | 0 | 0 | 110.6 | S320 C322 T329 R330 | S320-Q324 WeakPolarHBondContact O-CG 3.46Å; S320-Q324 PolarHBondContact O-NE2 3.16Å; C322-Q324 VanDerWaalsContact C-N 3.31Å; C322-Q324 PolarHBondContact O-N 3.34Å; Q324-T329 PolarHBondContact OE1-OG1 3.32Å; Q324-R330 HydrophobicContact CB-CB 3.85Å; Q324-R330 HydrophobicContact CB-CG 4.23Å; Q324-R330 PolarHBondContact O-NE 2.75Å; Q324-R330 PolarHBondContact O-NH2 3.27Å | ||
| 325 | K | 94 | Very high | 97.4 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -64.8 | -44 | 176.3 | -74.2 | -167.5 | 167.4 | -171.5 | 0 | 112.9 | P244 W264 I296 S297 H298 G299 V327 | P244-K325 HydrophobicContact CG-CG 4.13Å; W264-K325 HydrophobicContact CH2-CG 4.49Å; W264-K325 HydrophobicContact CZ3-CG 4.41Å; I296-K325 WeakPolarHBondContact O-CE 3.43Å; S297-K325 VanDerWaalsContact C-NZ 3.3Å; S297-K325 PolarHBondContact O-NZ 3.27Å; H298-K325 PolarHBondContact O-NZ 3.24Å; G299-K325 WeakPolarHBondContact O-CE 3.42Å; G299-K325 PolarHBondContact O-NZ 3.35Å; K325-V327 PolarHBondContact O-N 3.41Å |
| 326 | C | 93.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -71.4 | 120.6 | 172.8 | -166 | 0 | 0 | 0 | 0 | 109.5 | C328 T329 R330 | C326-C328 HydrophobicContact CB-CB 4.48Å; C326-C328 WeakPolarHBondContact CB-SG 3.35Å; C326-C328 PolarHBondContact O-N 3.44Å; C326-C328 WeakPolarHBondContact SG-CB 3.5Å; C326-C328 PolarHBondContact SG-N 2.9Å; C326-C328 VanDerWaalsContact SG-N 3.35Å; C326-C328 CovalentContact SG-SG 2.06Å; C326-C328 PolarHBondContact SG-SG 2.98Å; C326-T329 HydrophobicContact CB-CG2 4.43Å; C326-T329 PolarHBondContact O-N 3.19Å; C326-T329 PolarHBondContact O-OG1 3.11Å; C326-R330 PolarHBondContact O-N 2.99Å |
| 327 | V | 94.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.2 | 169.7 | 172 | 0 | 0 | 0 | 0 | 112.1 | E245 R256 V257 A260 K325 | E245-V327 HydrophobicContact CB-CG2 4.42Å; E245-V327 HydrophobicContact CG-CG2 4.16Å; R256-V327 HydrophobicContact CG-CG1 4.34Å; V257-V327 HydrophobicContact CG1-CG2 4.45Å; V257-V327 HydrophobicContact CG2-CG1 4.25Å; A260-V327 HydrophobicContact CB-CB 4.5Å; A260-V327 HydrophobicContact CB-CG1 3.74Å; A260-V327 HydrophobicContact CB-CG2 4.33Å; K325-V327 PolarHBondContact O-N 3.41Å |
| 328 | C | 93.7 | Very high | 97.4 | Very high | 84 Ų | 84 | 42.6 Ų | 42.6 | 57% | 0.568 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.6 | 177.3 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | R256 C326 | R256-C328 PolarHBondContact NH2-O 2.95Å; C326-C328 HydrophobicContact CB-CB 4.48Å; C326-C328 WeakPolarHBondContact CB-SG 3.35Å; C326-C328 PolarHBondContact O-N 3.44Å; C326-C328 WeakPolarHBondContact SG-CB 3.5Å; C326-C328 PolarHBondContact SG-N 2.9Å; C326-C328 VanDerWaalsContact SG-N 3.35Å; C326-C328 CovalentContact SG-SG 2.06Å; C326-C328 PolarHBondContact SG-SG 2.98Å |
| 329 | T | 96.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -14.9 | -179.9 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | Q324 C326 A331 | Q324-T329 PolarHBondContact OE1-OG1 3.32Å; C326-T329 HydrophobicContact CB-CG2 4.43Å; C326-T329 PolarHBondContact O-N 3.19Å; C326-T329 PolarHBondContact O-OG1 3.11Å; T329-A331 PolarHBondContact O-N 2.78Å |
| 330 | R | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -63.6 | 129.8 | 173.7 | -161.4 | 179.1 | -58.1 | 152.2 | 6.1 | 110.7 | E245 A260 V263 C322 Q324 C326 | E245-R330 IonicContact OE1-CZ 3.72Å; E245-R330 IonicContact OE1-NH1 2.99Å; E245-R330 PolarHBondContact OE1-NH1 2.94Å; E245-R330 IonicContact OE1-NH2 3.59Å; E245-R330 IonicContact OE2-CZ 2.64Å; E245-R330 IonicContact OE2-NH1 2.79Å; E245-R330 PolarHBondContact OE2-NH1 3.02Å; E245-R330 IonicContact OE2-NH2 3.67Å; E245-R330 PolarHBondContact OE2-NH2 3.33Å; A260-R330 WeakPolarHBondContact O-CD 3.45Å; A260-R330 PolarHBondContact O-NH1 2.98Å; V263-R330 HydrophobicContact CG1-CG 4.06Å; C322-R330 WeakPolarHBondContact O-CD 3.46Å; C322-R330 WeakPolarHBondContact O-CG 3.38Å; Q324-R330 HydrophobicContact CB-CB 3.85Å; Q324-R330 HydrophobicContact CB-CG 4.23Å; Q324-R330 PolarHBondContact O-NE 2.75Å; Q324-R330 PolarHBondContact O-NH2 3.27Å; C326-R330 PolarHBondContact O-N 2.99Å |
| 331 | A | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -62 | 144.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | V263 A321 T329 E335 L336 | V263-A331 WeakPolarHBondContact CG1-O 3.21Å; A321-A331 HydrophobicContact CB-CB 3.97Å; A321-A331 PolarHBondContact O-N 3.09Å; T329-A331 PolarHBondContact O-N 2.78Å; A331-E335 HydrophobicContact CB-CB 4.27Å; A331-L336 HydrophobicContact CB-CD1 4.32Å; A331-L336 HydrophobicContact CB-CD2 3.8Å; A331-L336 HydrophobicContact CB-CG 3.75Å |
| 332 | T | 98.3 | Very high | 97.4 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -80.2 | 161.6 | 171.1 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | A334 E335 L336 | T332-A334 PolarHBondContact O-N 3.28Å; T332-E335 WeakPolarHBondContact CB-OE2 3.26Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.44Å; T332-E335 PolarHBondContact N-OE2 3.43Å; T332-E335 PolarHBondContact O-N 2.76Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.32Å; T332-E335 WeakPolarHBondContact OG1-CG 3.06Å; T332-E335 PolarHBondContact OG1-N 3.39Å; T332-E335 PolarHBondContact OG1-OE2 3.24Å; T332-L336 WeakPolarHBondContact O-CG 3.22Å; T332-L336 PolarHBondContact O-N 3.07Å |
| 333 | V | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55 | -36.6 | 172.9 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | L182 L185 R186 V263 L336 L337 | L182-V333 HydrophobicContact CB-CG1 4.37Å; L182-V333 HydrophobicContact CD2-CB 4.47Å; L182-V333 HydrophobicContact CD2-CG1 4.02Å; L182-V333 VanDerWaalsContact O-CG1 3.27Å; L182-V333 WeakPolarHBondContact O-CG1 3.47Å; L185-V333 HydrophobicContact CB-CG1 4.33Å; L185-V333 HydrophobicContact CB-CG2 3.97Å; L185-V333 HydrophobicContact CD1-CG2 4.42Å; R186-V333 HydrophobicContact CB-CG1 3.84Å; V263-V333 HydrophobicContact CG2-CG2 3.9Å; V333-L336 PolarHBondContact O-N 2.85Å; V333-L337 HydrophobicContact CG1-CD1 4.16Å; V333-L337 HydrophobicContact CG1-CG 4.49Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.45Å; V333-L337 PolarHBondContact O-N 3.28Å |
| 334 | A | 98.2 | Very high | 97.4 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 50% | 0.504 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T332 N338 | T332-A334 PolarHBondContact O-N 3.28Å; A334-N338 PolarHBondContact O-ND2 3.4Å |
| 335 | E | 98.6 | Very high | 97.4 | Very high | 114 Ų | 114 | 52.2 Ų | 52.2 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 175.2 | -72 | 157.7 | 149.9 | 0 | 0 | 111 | A331 T332 L337 N338 H339 | A331-E335 HydrophobicContact CB-CB 4.27Å; T332-E335 WeakPolarHBondContact CB-OE2 3.26Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.44Å; T332-E335 PolarHBondContact N-OE2 3.43Å; T332-E335 PolarHBondContact O-N 2.76Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.32Å; T332-E335 WeakPolarHBondContact OG1-CG 3.06Å; T332-E335 PolarHBondContact OG1-N 3.39Å; T332-E335 PolarHBondContact OG1-OE2 3.24Å; E335-L337 PolarHBondContact O-N 3.44Å; E335-N338 CarbonylContact O-C 3.56Å; E335-N338 PolarHBondContact O-N 2.9Å; E335-H339 PolarHBondContact O-N 2.72Å; E335-H339 VanDerWaalsContact O-N 3.11Å |
| 336 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.2 | -32.4 | 179.4 | -70.1 | 171.2 | 0 | 0 | 0 | 113.5 | L182 V263 F318 A321 C322 A331 T332 V333 N338 H339 | L182-L336 HydrophobicContact CD1-CB 3.84Å; L182-L336 HydrophobicContact CD2-CB 3.61Å; L182-L336 HydrophobicContact CD2-CD1 3.93Å; L182-L336 HydrophobicContact CD2-CG 4.44Å; L182-L336 HydrophobicContact CG-CB 4.4Å; V263-L336 HydrophobicContact CB-CD1 4.47Å; V263-L336 HydrophobicContact CG1-CD1 3.49Å; V263-L336 VanDerWaalsContact CG1-CD1 3.49Å; V263-L336 HydrophobicContact CG2-CD1 4.26Å; F318-L336 HydrophobicContact CD2-CD2 4.01Å; F318-L336 HydrophobicContact CE2-CB 4.13Å; F318-L336 HydrophobicContact CE2-CD2 3.81Å; F318-L336 HydrophobicContact CE2-CG 4.45Å; F318-L336 HydrophobicContact CZ-CD2 4.36Å; A321-L336 HydrophobicContact CB-CD2 3.93Å; C322-L336 VanDerWaalsContact SG-CD1 3.59Å; A331-L336 HydrophobicContact CB-CD1 4.32Å; A331-L336 HydrophobicContact CB-CD2 3.8Å; A331-L336 HydrophobicContact CB-CG 3.75Å; T332-L336 WeakPolarHBondContact O-CG 3.22Å; T332-L336 PolarHBondContact O-N 3.07Å; V333-L336 PolarHBondContact O-N 2.85Å; L336-N338 PolarHBondContact O-N 2.99Å; L336-H339 VanDerWaalsContact O-CB 3.28Å; L336-H339 WeakPolarHBondContact O-CB 3.13Å; L336-H339 PolarHBondContact O-N 3.16Å; L336-H339 VanDerWaalsContact O-N 3.14Å |
| 337 | L | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -23.9 | 171.7 | -79 | 167.8 | 0 | 0 | 0 | 112.9 | L182 R186 V333 E335 | L182-L337 HydrophobicContact CB-CD2 3.57Å; L182-L337 HydrophobicContact CB-CG 3.92Å; L182-L337 HydrophobicContact CD1-CD2 4.36Å; R186-L337 HydrophobicContact CB-CD1 4.31Å; V333-L337 HydrophobicContact CG1-CD1 4.16Å; V333-L337 HydrophobicContact CG1-CG 4.49Å; V333-L337 WeakPolarHBondContact O-CB 3.35Å; V333-L337 VanDerWaalsContact O-CG 3.3Å; V333-L337 WeakPolarHBondContact O-CG 3.45Å; V333-L337 PolarHBondContact O-N 3.28Å; E335-L337 PolarHBondContact O-N 3.44Å |
| 338 | N | 98.6 | Very high | 98 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 68% | 0.679 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 2.1 | 175.7 | -66.3 | -70.5 | 0 | 0 | 0 | 112.6 | A334 E335 L336 | A334-N338 PolarHBondContact O-ND2 3.4Å; E335-N338 CarbonylContact O-C 3.56Å; E335-N338 PolarHBondContact O-N 2.9Å; L336-N338 PolarHBondContact O-N 2.99Å |
| 339 | H | 98.7 | Very high | 98.3 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -70.8 | 138.2 | 179.4 | -173.2 | -79 | 0 | 0 | 0 | 110.1 | E314 G317 F318 E335 L336 F341 V342 A343 | E314-H339 PolarHBondContact O-CE1 2.84Å; E314-H339 VanDerWaalsContact O-CE1 3.24Å; G317-H339 VanDerWaalsContact C-NE2 3.31Å; F318-H339 HydrophobicContact CD2-CB 4.14Å; F318-H339 AromaticContact CD2-CG 3.94Å; F318-H339 AromaticContact CD2-ND1 3.83Å; F318-H339 PolarHBondContact N-CE1 3.47Å; F318-H339 PolarHBondContact N-NE2 2.65Å; E335-H339 PolarHBondContact O-N 2.72Å; E335-H339 VanDerWaalsContact O-N 3.11Å; L336-H339 VanDerWaalsContact O-CB 3.28Å; L336-H339 WeakPolarHBondContact O-CB 3.13Å; L336-H339 PolarHBondContact O-N 3.16Å; L336-H339 VanDerWaalsContact O-N 3.14Å; H339-F341 VanDerWaalsContact C-N 3.29Å; H339-F341 WeakPolarHBondContact ND1-CB 3.4Å; H339-F341 PolarHBondContact ND1-N 3.07Å; H339-F341 PolarHBondContact O-N 2.87Å; H339-F341 VanDerWaalsContact O-N 3.12Å; H339-V342 PolarHBondContact O-N 3.45Å; H339-A343 PolarHBondContact O-N 3.27Å |
| 340 | P | 98.5 | Very high | 98.3 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 29% | 0.292 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -49.6 | -42.9 | -175.6 | -32.4 | 36.6 | 0 | 0 | 0 | 114.9 | E314 V342 A343 E344 | E314-P340 HydrophobicContact CG-CB 4Å; P340-V342 PolarHBondContact O-N 2.8Å; P340-A343 PolarHBondContact O-N 2.97Å; P340-E344 HydrophobicContact CB-CG 4.45Å; P340-E344 WeakPolarHBondContact O-CB 3.23Å; P340-E344 PolarHBondContact O-N 3.18Å |
| 341 | F | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -50.8 | -32 | 175.1 | -172.3 | -112.7 | 0 | 0 | 0 | 114.7 | E171 L174 A175 A178 E314 L315 F318 H339 | E171-F341 HydrophobicContact CB-CE2 4.3Å; L174-F341 HydrophobicContact CB-CE1 4.43Å; L174-F341 HydrophobicContact CB-CZ 3.85Å; A175-F341 HydrophobicContact CB-CE1 4.13Å; A175-F341 HydrophobicContact CB-CE2 4.29Å; A175-F341 HydrophobicContact CB-CZ 3.99Å; A175-F341 WeakPolarHBondContact CB-O 3.27Å; A178-F341 HydrophobicContact CB-CE1 4.27Å; E314-F341 HydrophobicContact CB-CB 3.99Å; E314-F341 HydrophobicContact CB-CD2 4.09Å; L315-F341 HydrophobicContact CB-CD2 4.02Å; L315-F341 HydrophobicContact CB-CE2 3.78Å; L315-F341 HydrophobicContact CB-CZ 4.43Å; L315-F341 HydrophobicContact CD1-CE1 4.11Å; L315-F341 HydrophobicContact CD1-CE2 3.9Å; L315-F341 HydrophobicContact CD1-CZ 3.65Å; L315-F341 HydrophobicContact CG-CE2 4.4Å; F318-F341 HydrophobicContact CB-CB 3.79Å; F318-F341 HydrophobicContact CB-CD1 3.92Å; F318-F341 HydrophobicContact CB-CG 3.99Å; F318-F341 HydrophobicContact CD1-CD1 4.06Å; F318-F341 HydrophobicContact CD1-CE1 4.48Å; F318-F341 HydrophobicContact CD2-CB 4.17Å; F318-F341 AromaticContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CD2-CD1 3.98Å; F318-F341 HydrophobicContact CG-CB 4.2Å; F318-F341 AromaticContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CD1 3.7Å; F318-F341 HydrophobicContact CG-CG 4.24Å; H339-F341 VanDerWaalsContact C-N 3.29Å; H339-F341 WeakPolarHBondContact ND1-CB 3.4Å; H339-F341 PolarHBondContact ND1-N 3.07Å; H339-F341 PolarHBondContact O-N 2.87Å; H339-F341 VanDerWaalsContact O-N 3.12Å |
| 342 | V | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -102.6 | -49.2 | 179.9 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | A178 A179 L182 F318 H339 P340 R345 | A178-V342 HydrophobicContact CB-CG2 4.1Å; A179-V342 HydrophobicContact CB-CG1 3.81Å; L182-V342 HydrophobicContact CD1-CG1 4.36Å; L182-V342 HydrophobicContact CD1-CG2 3.89Å; F318-V342 HydrophobicContact CD2-CG2 4.1Å; F318-V342 HydrophobicContact CE2-CG2 3.64Å; F318-V342 HydrophobicContact CZ-CG2 4.36Å; H339-V342 PolarHBondContact O-N 3.45Å; P340-V342 PolarHBondContact O-N 2.8Å; V342-R345 WeakPolarHBondContact O-CG 3.43Å; V342-R345 PolarHBondContact O-NH1 3.2Å |
| 343 | A | 98.3 | Very high | 98.3 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 47% | 0.471 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.4 | -31.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H339 P340 | H339-A343 PolarHBondContact O-N 3.27Å; P340-A343 PolarHBondContact O-N 2.97Å |
| 344 | E | 98.1 | Very high | 98.3 | Very high | 151 Ų | 151 | 60.4 Ų | 60.4 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 6.6 | -175.7 | -60.2 | 178 | -159.8 | 0 | 0 | 112.7 | P340 | P340-E344 HydrophobicContact CB-CG 4.45Å; P340-E344 WeakPolarHBondContact O-CB 3.23Å; P340-E344 PolarHBondContact O-N 3.18Å |
| 345 | R | 97.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -63.2 | 143.6 | 176.5 | 80.8 | -173.1 | -173.3 | -76.4 | 1.4 | 110.9 | A175 E176 V342 V347 | A175-R345 HydrophobicContact CB-CB 3.99Å; A175-R345 HydrophobicContact CB-CG 4.45Å; E176-R345 IonicContact OE1-NH2 2.89Å; E176-R345 IonicContact OE2-CZ 2.74Å; E176-R345 VanDerWaalsContact OE2-CZ 3.23Å; E176-R345 IonicContact OE2-NE 3.8Å; E176-R345 PolarHBondContact OE2-NE 3.45Å; E176-R345 IonicContact OE2-NH2 3.33Å; E176-R345 PolarHBondContact OE2-NH2 2.64Å; V342-R345 WeakPolarHBondContact O-CG 3.43Å; V342-R345 PolarHBondContact O-NH1 3.2Å; R345-V347 HydrophobicContact CG-CG2 4.27Å; R345-V347 PolarHBondContact O-N 2.81Å |
| 346 | D | 98 | Very high | 98.2 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | trans | -69.9 | 99.9 | 164.8 | -178.5 | -24.5 | 0 | 0 | 0 | 108.7 | A348 E349 S350 | D346-A348 VanDerWaalsContact C-N 3.26Å; D346-A348 PolarHBondContact O-N 3.39Å; D346-A348 PolarHBondContact OD1-N 3.41Å; D346-E349 HydrophobicContact CB-CB 3.79Å; D346-E349 VanDerWaalsContact CG-CB 3.45Å; D346-E349 PolarHBondContact O-N 3.45Å; D346-E349 PolarHBondContact OD1-N 2.96Å; D346-S350 WeakPolarHBondContact O-CB 3.5Å; D346-S350 PolarHBondContact O-N 3.05Å; D346-S350 PolarHBondContact O-OG 3.1Å | ||
| 347 | V | 98 | Very high | 98.2 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -37.7 | -175.9 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | R345 R351 | R345-V347 HydrophobicContact CG-CG2 4.27Å; R345-V347 PolarHBondContact O-N 2.81Å; V347-R351 WeakPolarHBondContact O-CB 3.42Å; V347-R351 VanDerWaalsContact O-CG 3.26Å; V347-R351 WeakPolarHBondContact O-CG 3.28Å; V347-R351 PolarHBondContact O-N 3.16Å |
| 348 | A | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 60% | 0.595 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.8 | -44.5 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | D346 R352 | D346-A348 VanDerWaalsContact C-N 3.26Å; D346-A348 PolarHBondContact O-N 3.39Å; D346-A348 PolarHBondContact OD1-N 3.41Å; A348-R352 WeakPolarHBondContact O-CB 3.43Å; A348-R352 PolarHBondContact O-N 3.06Å |
| 349 | E | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 174.6 | -178.2 | 63.2 | -157 | 0 | 0 | 111.4 | P172 D346 R351 R352 V353 | P172-E349 HydrophobicContact CB-CG 4.46Å; D346-E349 HydrophobicContact CB-CB 3.79Å; D346-E349 VanDerWaalsContact CG-CB 3.45Å; D346-E349 PolarHBondContact O-N 3.45Å; D346-E349 PolarHBondContact OD1-N 2.96Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 3.38Å; E349-R352 PolarHBondContact O-N 3.04Å; E349-R352 VanDerWaalsContact O-N 3.1Å; E349-R352 IonicContact OE1-CZ 2.7Å; E349-R352 IonicContact OE1-NH1 3.87Å; E349-R352 IonicContact OE1-NH2 3.17Å; E349-R352 PolarHBondContact OE1-NH2 3.3Å; E349-R352 IonicContact OE2-CZ 3.55Å; E349-R352 IonicContact OE2-NH1 2.75Å; E349-R352 PolarHBondContact OE2-NH1 3.15Å; E349-R352 IonicContact OE2-NH2 3.57Å; E349-R352 PolarHBondContact OE2-NH2 3.46Å; E349-V353 HydrophobicContact CG-CG2 4.31Å; E349-V353 WeakPolarHBondContact O-CG2 3.44Å; E349-V353 PolarHBondContact O-N 3.2Å; E349-V353 VanDerWaalsContact OE1-CG2 3.27Å; E349-V353 WeakPolarHBondContact OE1-CG2 3.38Å |
| 350 | S | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.2 | -46.6 | 179.3 | -83.2 | 0 | 0 | 0 | 0 | 112.4 | P172 D346 L354 | P172-S350 WeakPolarHBondContact CA-OG 3.38Å; P172-S350 WeakPolarHBondContact O-CA 3.14Å; P172-S350 WeakPolarHBondContact O-CB 3.48Å; P172-S350 PolarHBondContact O-OG 2.88Å; D346-S350 WeakPolarHBondContact O-CB 3.5Å; D346-S350 PolarHBondContact O-N 3.05Å; D346-S350 PolarHBondContact O-OG 3.1Å; S350-L354 VanDerWaalsContact O-CB 3.3Å; S350-L354 WeakPolarHBondContact O-CB 3.42Å; S350-L354 PolarHBondContact O-N 2.71Å |
| 351 | R | 98.2 | Very high | 97.5 | Very high | 125 Ų | 125 | 56.1 Ų | 56.1 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.1 | -75.3 | -179 | 170.9 | -154.4 | -3.7 | 112.7 | E176 V347 E349 L354 K355 | E176-R351 HydrophobicContact CG-CG 3.97Å; E176-R351 WeakPolarHBondContact OE1-CG 3.34Å; E176-R351 IonicContact OE1-CZ 2.7Å; E176-R351 IonicContact OE1-NE 2.68Å; E176-R351 PolarHBondContact OE1-NE 3.47Å; E176-R351 IonicContact OE1-NH2 2.83Å; E176-R351 PolarHBondContact OE1-NH2 3.46Å; V347-R351 WeakPolarHBondContact O-CB 3.42Å; V347-R351 VanDerWaalsContact O-CG 3.26Å; V347-R351 WeakPolarHBondContact O-CG 3.28Å; V347-R351 PolarHBondContact O-N 3.16Å; E349-R351 VanDerWaalsContact C-N 3.33Å; E349-R351 PolarHBondContact O-N 3.38Å; R351-L354 PolarHBondContact O-N 2.87Å; R351-K355 WeakPolarHBondContact O-CB 3.39Å; R351-K355 PolarHBondContact O-N 3.45Å |
| 352 | R | 98.4 | Very high | 97.2 | Very high | 125 Ų | 125 | 56.4 Ų | 56.4 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 177.7 | -168.3 | -173.8 | 77.7 | -122.8 | -5.2 | 110.9 | A348 E349 L354 K355 E356 | A348-R352 WeakPolarHBondContact O-CB 3.43Å; A348-R352 PolarHBondContact O-N 3.06Å; E349-R352 PolarHBondContact O-N 3.04Å; E349-R352 VanDerWaalsContact O-N 3.1Å; E349-R352 IonicContact OE1-CZ 2.7Å; E349-R352 IonicContact OE1-NH1 3.87Å; E349-R352 IonicContact OE1-NH2 3.17Å; E349-R352 PolarHBondContact OE1-NH2 3.3Å; E349-R352 IonicContact OE2-CZ 3.55Å; E349-R352 IonicContact OE2-NH1 2.75Å; E349-R352 PolarHBondContact OE2-NH1 3.15Å; E349-R352 IonicContact OE2-NH2 3.57Å; E349-R352 PolarHBondContact OE2-NH2 3.46Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.85Å; R352-K355 PolarHBondContact O-N 3.41Å; R352-E356 IonicContact NE-OE1 3.34Å; R352-E356 PolarHBondContact NE-OE1 2.76Å; R352-E356 WeakPolarHBondContact O-CG 3.41Å; R352-E356 PolarHBondContact O-N 2.98Å |
| 353 | V | 98.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | -179.7 | 176.5 | 0 | 0 | 0 | 0 | 111 | P170 P172 A173 E349 E356 V357 | P170-V353 HydrophobicContact CB-CG1 4.17Å; P170-V353 HydrophobicContact CG-CG1 3.36Å; P172-V353 HydrophobicContact CB-CB 4.17Å; P172-V353 HydrophobicContact CB-CG1 4.4Å; P172-V353 HydrophobicContact CB-CG2 4.2Å; A173-V353 HydrophobicContact CB-CG1 4.2Å; E349-V353 HydrophobicContact CG-CG2 4.31Å; E349-V353 WeakPolarHBondContact O-CG2 3.44Å; E349-V353 PolarHBondContact O-N 3.2Å; E349-V353 VanDerWaalsContact OE1-CG2 3.27Å; E349-V353 WeakPolarHBondContact OE1-CG2 3.38Å; V353-E356 PolarHBondContact O-N 2.98Å; V353-V357 WeakPolarHBondContact O-CG2 3.27Å; V353-V357 PolarHBondContact O-N 3.06Å |
| 354 | L | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 174.8 | 178.7 | 60.2 | 0 | 0 | 0 | 111.2 | A173 E176 V177 G209 I211 S350 R351 R352 E356 V357 I358 | A173-L354 HydrophobicContact CB-CB 4Å; A173-L354 HydrophobicContact CB-CD1 4.05Å; E176-L354 HydrophobicContact CB-CD2 3.93Å; E176-L354 HydrophobicContact CG-CD2 3.73Å; V177-L354 HydrophobicContact CG2-CD1 3.95Å; V177-L354 HydrophobicContact CG2-CD2 4.29Å; G209-L354 WeakPolarHBondContact O-CD2 3.21Å; I211-L354 HydrophobicContact CD1-CD1 4.39Å; I211-L354 HydrophobicContact CD1-CD2 3.95Å; I211-L354 HydrophobicContact CG1-CD2 3.65Å; S350-L354 VanDerWaalsContact O-CB 3.3Å; S350-L354 WeakPolarHBondContact O-CB 3.42Å; S350-L354 PolarHBondContact O-N 2.71Å; R351-L354 PolarHBondContact O-N 2.87Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 2.85Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 3.43Å; L354-V357 WeakPolarHBondContact O-CB 3.26Å; L354-V357 PolarHBondContact O-N 3.05Å; L354-V357 VanDerWaalsContact O-N 3.15Å; L354-I358 HydrophobicContact CD1-CD1 4.28Å; L354-I358 HydrophobicContact CD1-CG1 4.08Å; L354-I358 HydrophobicContact CG-CG1 4.39Å; L354-I358 WeakPolarHBondContact O-CG1 3.18Å; L354-I358 PolarHBondContact O-N 3.22Å |
| 355 | K | 97.7 | Very high | 93.7 | Very high | 81 Ų | 81 | 64.7 Ų | 64.7 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 177.9 | -179.7 | 165.9 | 179.5 | 157.3 | 0 | 111.9 | A207 D208 R351 R352 V357 I358 V359 | A207-K355 WeakPolarHBondContact O-CE 2.9Å; D208-K355 IonicContact OD1-NZ 3.11Å; D208-K355 PolarHBondContact OD1-NZ 2.81Å; R351-K355 WeakPolarHBondContact O-CB 3.39Å; R351-K355 PolarHBondContact O-N 3.45Å; R352-K355 PolarHBondContact O-N 3.41Å; K355-V357 VanDerWaalsContact C-N 3.34Å; K355-V357 PolarHBondContact O-N 3.35Å; K355-I358 PolarHBondContact O-N 3.28Å; K355-V359 HydrophobicContact CG-CG2 4.18Å; K355-V359 WeakPolarHBondContact O-CB 3.24Å; K355-V359 VanDerWaalsContact O-CG2 3.3Å; K355-V359 WeakPolarHBondContact O-CG2 3.37Å; K355-V359 PolarHBondContact O-N 3.16Å |
| 356 | E | 97.1 | Very high | 92 | Very high | 109 Ų | 109 | 62.8 Ų | 62.8 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 175.4 | -73.5 | 171.5 | -163.6 | 0 | 0 | 112 | R352 V353 L354 A360 | R352-E356 IonicContact NE-OE1 3.34Å; R352-E356 PolarHBondContact NE-OE1 2.76Å; R352-E356 WeakPolarHBondContact O-CG 3.41Å; R352-E356 PolarHBondContact O-N 2.98Å; V353-E356 PolarHBondContact O-N 2.98Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 3.43Å; E356-A360 WeakPolarHBondContact O-CB 3.43Å; E356-A360 PolarHBondContact O-N 2.99Å |
| 357 | V | 96.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.3 | -49 | 175.7 | 166.3 | 0 | 0 | 0 | 0 | 111 | L169 P170 V353 L354 K355 A360 T361 | L169-V357 HydrophobicContact CD2-CG1 3.75Å; P170-V357 HydrophobicContact CG-CG2 4.16Å; V353-V357 WeakPolarHBondContact O-CG2 3.27Å; V353-V357 PolarHBondContact O-N 3.06Å; L354-V357 WeakPolarHBondContact O-CB 3.26Å; L354-V357 PolarHBondContact O-N 3.05Å; L354-V357 VanDerWaalsContact O-N 3.15Å; K355-V357 VanDerWaalsContact C-N 3.34Å; K355-V357 PolarHBondContact O-N 3.35Å; V357-A360 PolarHBondContact O-N 3.43Å; V357-T361 WeakPolarHBondContact O-CG2 3.5Å; V357-T361 PolarHBondContact O-N 3.41Å; V357-T361 PolarHBondContact O-OG1 2.95Å |
| 358 | I | 96.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -53.5 | -177 | -62.9 | -54.1 | 0 | 0 | 0 | 110.3 | L157 A160 A205 D206 L354 K355 A360 T361 M362 | L157-I358 HydrophobicContact CD2-CD1 3.84Å; A160-I358 HydrophobicContact CB-CD1 4.43Å; A205-I358 HydrophobicContact CB-CD1 3.5Å; A205-I358 HydrophobicContact CB-CG1 3.75Å; A205-I358 HydrophobicContact CB-CG2 3.99Å; D206-I358 WeakPolarHBondContact O-CG2 3.43Å; L354-I358 HydrophobicContact CD1-CD1 4.28Å; L354-I358 HydrophobicContact CD1-CG1 4.08Å; L354-I358 HydrophobicContact CG-CG1 4.39Å; L354-I358 WeakPolarHBondContact O-CG1 3.18Å; L354-I358 PolarHBondContact O-N 3.22Å; K355-I358 PolarHBondContact O-N 3.28Å; I358-A360 VanDerWaalsContact C-N 3.28Å; I358-A360 PolarHBondContact O-N 2.57Å; I358-T361 CarbonylContact O-C 3.6Å; I358-T361 WeakPolarHBondContact O-CA 3.32Å; I358-T361 PolarHBondContact O-N 2.81Å; I358-T361 PolarHBondContact O-OG1 3.02Å; I358-M362 HydrophobicContact CG2-CG 4.26Å; I358-M362 HydrophobicContact CG2-SD 4.27Å; I358-M362 WeakPolarHBondContact O-CG 3.21Å; I358-M362 PolarHBondContact O-N 2.88Å |
| 359 | V | 95.9 | Very high | 88.7 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.2 | -39.1 | -179.2 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | K355 T361 M362 Y367 | K355-V359 HydrophobicContact CG-CG2 4.18Å; K355-V359 WeakPolarHBondContact O-CB 3.24Å; K355-V359 VanDerWaalsContact O-CG2 3.3Å; K355-V359 WeakPolarHBondContact O-CG2 3.37Å; K355-V359 PolarHBondContact O-N 3.16Å; V359-T361 PolarHBondContact O-N 3.35Å; V359-M362 HydrophobicContact CG2-SD 4.35Å; V359-M362 PolarHBondContact O-N 2.75Å; V359-Y367 HydrophobicContact CG1-CE1 3.92Å; V359-Y367 VanDerWaalsContact CG1-OH 3.26Å; V359-Y367 WeakPolarHBondContact CG1-OH 3.42Å; V359-Y367 PolarHBondContact O-OH 3.36Å |
| 360 | A | 95 | Very high | 88.2 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 69% | 0.686 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.7 | -17.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | E356 V357 I358 | E356-A360 WeakPolarHBondContact O-CB 3.43Å; E356-A360 PolarHBondContact O-N 2.99Å; V357-A360 PolarHBondContact O-N 3.43Å; I358-A360 VanDerWaalsContact C-N 3.28Å; I358-A360 PolarHBondContact O-N 2.57Å |
| 361 | T | 93.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -109.4 | -0.6 | 179.9 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | A160 R163 R164 V357 I358 V359 | A160-T361 HydrophobicContact CB-CG2 4.34Å; R163-T361 HydrophobicContact CB-CG2 4.01Å; R163-T361 WeakPolarHBondContact CD-O 3.5Å; R163-T361 PolarHBondContact NH1-O 3.35Å; R164-T361 HydrophobicContact CG-CG2 3.86Å; V357-T361 WeakPolarHBondContact O-CG2 3.5Å; V357-T361 PolarHBondContact O-N 3.41Å; V357-T361 PolarHBondContact O-OG1 2.95Å; I358-T361 CarbonylContact O-C 3.6Å; I358-T361 WeakPolarHBondContact O-CA 3.32Å; I358-T361 PolarHBondContact O-N 2.81Å; I358-T361 PolarHBondContact O-OG1 3.02Å; V359-T361 PolarHBondContact O-N 3.35Å |
| 362 | M | 92.4 | Very high | 87 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -71.6 | 158.1 | 175 | -76.3 | 174.5 | 68.1 | 0 | 0 | 112.4 | N153 R163 A207 I358 V359 D366 | N153-M362 HydrophobicContact CB-CE 4.37Å; R163-M362 VanDerWaalsContact NH1-C 3.27Å; R163-M362 PolarHBondContact NH1-O 2.77Å; A207-M362 HydrophobicContact CB-CE 3.84Å; A207-M362 HydrophobicContact CB-SD 3.78Å; I358-M362 HydrophobicContact CG2-CG 4.26Å; I358-M362 HydrophobicContact CG2-SD 4.27Å; I358-M362 WeakPolarHBondContact O-CG 3.21Å; I358-M362 PolarHBondContact O-N 2.88Å; V359-M362 HydrophobicContact CG2-SD 4.35Å; V359-M362 PolarHBondContact O-N 2.75Å; M362-D366 HydrophobicContact CE-CB 3.9Å; M362-D366 WeakPolarHBondContact CE-O 3.19Å |
| 363 | D | 81.8 | Confident | 86.2 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 26% | 0.262 | 32% | 0.322 | S | S | . | . | trans | -69.9 | 150.1 | 167.4 | -72.3 | -35.8 | 0 | 0 | 0 | 111.2 | R159 R163 D365 D366 | R159-D363 IonicContact CZ-OD2 2.71Å; R159-D363 IonicContact NH1-OD2 3.97Å; R159-D363 PolarHBondContact NH1-OD2 3.35Å; R159-D363 IonicContact NH2-OD1 3.23Å; R159-D363 IonicContact NH2-OD2 2.62Å; R159-D363 PolarHBondContact NH2-OD2 2.06Å; R163-D363 IonicContact CZ-OD1 3.44Å; R163-D363 IonicContact NH1-OD1 2.85Å; R163-D363 PolarHBondContact NH1-OD1 3.08Å; R163-D363 IonicContact NH2-OD1 3.58Å; R163-D363 PolarHBondContact NH2-OD1 2.89Å; R163-D363 IonicContact NH2-OD2 2.8Å; D363-D365 PolarHBondContact O-N 2.92Å; D363-D366 HydrophobicContact CB-CB 4.31Å; D363-D366 PolarHBondContact O-N 3.34Å; D363-D366 VanDerWaalsContact O-N 3.1Å | ||
| 364 | K | 70.4 | Confident | 85.3 | Confident | 191 Ų | 191 | 67.8 Ų | 67.8 | 83% | 0.83 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -60.2 | -26 | 175.1 | -68.4 | -173.4 | 178.6 | -178.5 | 0 | 112.5 | ||
| 365 | D | 67.8 | Low | 84.3 | Confident | 145 Ų | 145 | 73 Ų | 73 | 78% | 0.775 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -89.5 | -0.3 | -179.3 | -56.6 | -32.3 | 0 | 0 | 0 | 113.4 | D363 | D363-D365 PolarHBondContact O-N 2.92Š|
| 366 | D | 61.9 | Low | 83.2 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 9% | 0.086 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -102.8 | 3.3 | -178.3 | -77.1 | -33.4 | 0 | 0 | 0 | 114.2 | K88 N153 M362 D363 | K88-D366 IonicContact NZ-OD1 2.71Å; K88-D366 PolarHBondContact NZ-OD1 2.8Å; N153-D366 PolarHBondContact ND2-O 2.85Å; M362-D366 HydrophobicContact CE-CB 3.9Å; M362-D366 WeakPolarHBondContact CE-O 3.19Å; D363-D366 HydrophobicContact CB-CB 4.31Å; D363-D366 PolarHBondContact O-N 3.34Å; D363-D366 VanDerWaalsContact O-N 3.1Å |
| 367 | Y | 48.9 | Very low | 82 | Confident | 202 Ų | 202 | 69 Ų | 69 | 79% | 0.792 | 35% | 0.35 | S | S | * | . | trans | -74.8 | 0 | 166.3 | -73.4 | -91.5 | 0 | 0 | 0 | 110.8 | V359 | V359-Y367 HydrophobicContact CG1-CE1 3.92Å; V359-Y367 VanDerWaalsContact CG1-OH 3.26Å; V359-Y367 WeakPolarHBondContact CG1-OH 3.42Å; V359-Y367 PolarHBondContact O-OH 3.36Å |
Retrieved 367 of 367 residues in 958.2 ms
(Link to these results)