| 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 | 34.1 | Very low | 32.1 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 100% | 1.187 | 87% | 0.87 | S | S | * | * | 0 | 81.1 | 0 | -62.3 | 173.4 | -169.9 | 0 | 0 | 105.7 | |||||
| 2 | A | 25.7 | Very low | 31.8 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 88% | 0.876 | 87% | 0.871 | S | S | * | * | 51.6 | 121.6 | 96.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 3 | A | 26.5 | Very low | 32 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 79% | 0.785 | 87% | 0.871 | S | S | * | * | cis | -164.8 | 154.8 | -8.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 4 | L | 35.4 | Very low | 32.1 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 89% | 0.89 | 86% | 0.863 | S | S | * | * | trans | -57.6 | 155.2 | 162.9 | -85.4 | 142 | 0 | 0 | 0 | 110.6 | ||||
| 5 | P | 33.3 | Very low | 32 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 87% | 0.865 | S | S | * | * | -141.4 | 153.8 | 108.3 | 34.3 | -19 | 0 | 0 | 0 | 114.8 | |||||
| 6 | G | 29.6 | Very low | 31.8 | Very low | 63 Ų | 63 | 146.2 Ų | 146.2 | 65% | 0.649 | 87% | 0.873 | S | S | * | * | trans | -90.8 | -145.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 7 | P | 44.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | trans | -99.5 | 143.6 | -136 | 37.2 | -31.1 | 0 | 0 | 0 | 113.5 | ||||
| 8 | L | 30.6 | Very low | 31.6 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 86% | 0.864 | S | S | * | * | trans | -154 | 76.7 | 168.8 | -97.3 | 142.6 | 0 | 0 | 0 | 109.4 | ||||
| 9 | W | 29.8 | Very low | 31.3 | Very low | 264 Ų | 264 | 140.9 Ų | 140.9 | 100% | 1 | 86% | 0.862 | S | S | * | * | trans | -108.2 | 74.4 | 162.1 | -94.1 | 75.4 | 0 | 0 | 0 | 108.3 | ||||
| 10 | L | 32 | Very low | 31.1 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 87% | 0.865 | S | S | * | * | trans | -152.9 | 136.3 | 162.5 | -90.3 | 169.7 | 0 | 0 | 0 | 106.9 | ||||
| 11 | L | 31.4 | Very low | 31 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 87% | 0.867 | S | S | * | * | trans | 96.7 | 83.5 | 174 | -60.6 | 144 | 0 | 0 | 0 | 116.4 | ||||
| 12 | G | 28.9 | Very low | 30.6 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | trans | -137.7 | 41.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 13 | L | 34.6 | Very low | 31 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 87% | 0.869 | 85% | 0.845 | S | S | * | * | trans | -112 | 133.3 | 165.5 | -94.1 | 162.5 | 0 | 0 | 0 | 107.3 | ||||
| 14 | A | 33.5 | Very low | 31.3 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | trans | 84.3 | 89.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 15 | L | 30.1 | Very low | 31.3 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | trans | -172.2 | 76.6 | 142.6 | -97.1 | 143.6 | 0 | 0 | 0 | 109.2 | ||||
| 16 | C | 28.7 | Very low | 31.2 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 99% | 0.986 | 85% | 0.846 | S | S | * | * | trans | -135.7 | 47.6 | 161.8 | -102 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | A | 31.4 | Very low | 31.4 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 63% | 0.628 | 85% | 0.849 | S | S | * | * | trans | -122.1 | 128.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 18 | L | 29.3 | Very low | 30.9 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 95% | 0.953 | 85% | 0.846 | S | S | * | * | trans | 91.9 | 104 | 168.1 | -49 | 169.1 | 0 | 0 | 0 | 116.8 | ||||
| 19 | G | 25.8 | Very low | 31.5 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 85% | 0.849 | S | S | * | * | trans | 135.3 | 101.2 | 133.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 20 | G | 26.9 | Very low | 32.2 | Very low | 88 Ų | 88 | 125 Ų | 125 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | 83.8 | 128.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 21 | G | 28 | Very low | 32 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | cis | 125 | 88.9 | 19.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 22 | G | 27.5 | Very low | 32.3 | Very low | 67 Ų | 67 | 121 Ų | 121 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | -153.6 | 139.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | G24 | G22-G24 PolarHBondContact O-N 3.03Š| ||
| 23 | P | 33.7 | Very low | 33.1 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -84.8 | 86.2 | -165 | 34.2 | -32.1 | 0 | 0 | 0 | 111 | ||||
| 24 | G | 32.4 | Very low | 34.3 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | -80.7 | 127.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G22 R26 | G22-G24 PolarHBondContact O-N 3.03Å; G24-R26 PolarHBondContact O-N 3.22Å | ||
| 25 | L | 34.6 | Very low | 35.6 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -41 | 119.4 | 175.3 | -77.6 | 131.3 | 0 | 0 | 0 | 112.2 | ||||
| 26 | R | 32.2 | Very low | 37.5 | Very low | 241 Ų | 241 | 126 Ų | 126 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129.5 | 172.2 | -86.1 | 177.1 | 168.8 | 171.5 | -3.4 | 109.5 | G24 | G24-R26 PolarHBondContact O-N 3.22Š|
| 27 | P | 34.1 | Very low | 39.9 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 152.6 | 165.6 | 28.7 | -31.1 | 0 | 0 | 0 | 109.5 | ||
| 28 | P | 33.6 | Very low | 42.1 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 149.2 | -176.2 | 26 | -33.7 | 0 | 0 | 0 | 111.6 | G30 | P28-G30 PolarHBondContact O-N 3.1Å; P28-G30 VanDerWaalsContact O-N 3.1Å |
| 29 | P | 43.9 | Very low | 44.5 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 91% | 0.909 | 75% | 0.752 | S | S | * | * | trans | -77.9 | 100.2 | 179.8 | 31.8 | -29.5 | 0 | 0 | 0 | 108.6 | ||||
| 30 | G | 43.7 | Very low | 47 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | trans | -148.8 | 116.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P28 | P28-G30 PolarHBondContact O-N 3.1Å; P28-G30 VanDerWaalsContact O-N 3.1Å | ||
| 31 | C | 28.2 | Very low | 49.3 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 73 | 116.7 | -179 | -97.5 | 0 | 0 | 0 | 0 | 116.6 | Q33 | C31-Q33 PolarHBondContact O-N 2.8Š| ||
| 32 | P | 37.3 | Very low | 51.7 | Low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -60.6 | 113.6 | 160.2 | 25.4 | -29.2 | 0 | 0 | 0 | 106.9 | R34 | P32-R34 PolarHBondContact O-N 3.4Š| ||
| 33 | Q | 46.3 | Very low | 54.3 | Low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -59.5 | 97.2 | 165.6 | -85.5 | -174.9 | -18.4 | 0 | 0 | 106.6 | C31 R35 | C31-Q33 PolarHBondContact O-N 2.8Å; Q33-R35 VanDerWaalsContact C-N 3.25Å; Q33-R35 PolarHBondContact O-N 3Å | ||
| 34 | R | 58.6 | Low | 56.4 | Low | 170 Ų | 170 | 124 Ų | 124 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | trans | -62.8 | 94.7 | 171.6 | -175.8 | -179.2 | -173.7 | -117.1 | -5.8 | 106.2 | P32 L36 E40 | P32-R34 PolarHBondContact O-N 3.4Å; R34-L36 PolarHBondContact O-N 2.93Å; R34-E40 IonicContact CZ-OE1 3.81Å; R34-E40 IonicContact CZ-OE2 2.64Å; R34-E40 IonicContact NH1-OE1 3.77Å; R34-E40 PolarHBondContact NH1-OE1 2.76Å; R34-E40 IonicContact NH1-OE2 3.83Å; R34-E40 IonicContact NH2-OE1 3.66Å; R34-E40 PolarHBondContact NH2-OE1 2.8Å; R34-E40 IonicContact NH2-OE2 2.93Å | ||
| 35 | R | 61.5 | Low | 58.5 | Low | 209 Ų | 209 | 123.9 Ų | 123.9 | 79% | 0.789 | 64% | 0.637 | S | S | * | * | trans | -62.3 | 112.8 | 172.9 | -71.3 | -174.6 | -159.2 | -120.8 | 0.8 | 106.6 | Q33 G37 | Q33-R35 VanDerWaalsContact C-N 3.25Å; Q33-R35 PolarHBondContact O-N 3Å; R35-G37 PolarHBondContact O-N 2.98Å | ||
| 36 | L | 70.8 | Confident | 60.7 | Low | 70 Ų | 70 | 122.7 Ų | 122.7 | 37% | 0.366 | 62% | 0.62 | S | S | . | * | trans | -53.5 | 126.9 | 175.2 | -70.6 | 161.4 | 0 | 0 | 0 | 108.6 | R34 E40 R41 V44 | R34-L36 PolarHBondContact O-N 2.93Å; L36-E40 HydrophobicContact CB-CB 4.2Å; L36-E40 HydrophobicContact CD2-CB 3.78Å; L36-R41 HydrophobicContact CB-CG 3.64Å; L36-R41 PolarHBondContact O-NE 3.1Å; L36-V44 HydrophobicContact CD1-CG2 4.46Å | ||
| 37 | G | 78.6 | Confident | 62.9 | Low | 37 Ų | 37 | 117.2 Ų | 117.2 | 38% | 0.381 | 61% | 0.605 | S | S | . | * | trans | -63 | 161.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R35 R39 E40 R41 | R35-G37 PolarHBondContact O-N 2.98Å; G37-R39 PolarHBondContact O-N 3.49Å; G37-R39 VanDerWaalsContact O-N 3.13Å; G37-E40 PolarHBondContact N-OE2 3.28Å; G37-E40 VanDerWaalsContact N-OE2 3.1Å; G37-E40 PolarHBondContact O-N 2.92Å; G37-R41 PolarHBondContact O-N 2.65Å | ||
| 38 | A | 76.6 | Confident | 65 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 60% | 0.603 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -56.6 | -34.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R42 | A38-R42 WeakPolarHBondContact O-CG 3.39Å; A38-R42 PolarHBondContact O-N 3.11Å |
| 39 | R | 79.4 | Confident | 67.2 | Low | 204 Ų | 204 | 109.6 Ų | 109.6 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.8 | -46.2 | 175.4 | -171.9 | 174.7 | 178.6 | 173.3 | 1.4 | 111.9 | G37 R41 R42 D43 | G37-R39 PolarHBondContact O-N 3.49Å; G37-R39 VanDerWaalsContact O-N 3.13Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.89Å; R39-R42 WeakPolarHBondContact O-CB 3.14Å; R39-R42 PolarHBondContact O-N 3.25Å; R39-R42 VanDerWaalsContact O-N 3.13Å; R39-D43 PolarHBondContact O-N 2.88Å |
| 40 | E | 78.5 | Confident | 68.8 | Low | 53 Ų | 53 | 106.5 Ų | 106.5 | 25% | 0.248 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -63.3 | -38 | 178.7 | -62.4 | -178.2 | 129.4 | 0 | 0 | 111.9 | R34 L36 G37 R42 D43 V44 | R34-E40 IonicContact CZ-OE1 3.81Å; R34-E40 IonicContact CZ-OE2 2.64Å; R34-E40 IonicContact NH1-OE1 3.77Å; R34-E40 PolarHBondContact NH1-OE1 2.76Å; R34-E40 IonicContact NH1-OE2 3.83Å; R34-E40 IonicContact NH2-OE1 3.66Å; R34-E40 PolarHBondContact NH2-OE1 2.8Å; R34-E40 IonicContact NH2-OE2 2.93Å; L36-E40 HydrophobicContact CB-CB 4.2Å; L36-E40 HydrophobicContact CD2-CB 3.78Å; G37-E40 PolarHBondContact N-OE2 3.28Å; G37-E40 VanDerWaalsContact N-OE2 3.1Å; G37-E40 PolarHBondContact O-N 2.92Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 3.02Å; E40-D43 PolarHBondContact O-N 3.24Å; E40-V44 VanDerWaalsContact O-CG2 3.32Å; E40-V44 WeakPolarHBondContact O-CG2 3.07Å; E40-V44 PolarHBondContact O-N 3.1Å |
| 41 | R | 76.6 | Confident | 70.4 | Confident | 148 Ų | 148 | 107.5 Ų | 107.5 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -40.6 | 174.2 | -66.9 | -176.6 | -166.3 | -165.7 | -0.9 | 112.3 | L36 G37 R39 Q45 | L36-R41 HydrophobicContact CB-CG 3.64Å; L36-R41 PolarHBondContact O-NE 3.1Å; G37-R41 PolarHBondContact O-N 2.65Å; R39-R41 VanDerWaalsContact C-N 3.32Å; R39-R41 PolarHBondContact O-N 2.89Å; R41-Q45 WeakPolarHBondContact O-CB 3.35Å; R41-Q45 PolarHBondContact O-N 2.99Å |
| 42 | R | 78.1 | Confident | 72.5 | Confident | 179 Ų | 179 | 102.2 Ų | 102.2 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -39.1 | 176.9 | -69.4 | 175.1 | -166.2 | -107.6 | 4.4 | 111.7 | A38 R39 E40 Q45 R46 | A38-R42 WeakPolarHBondContact O-CG 3.39Å; A38-R42 PolarHBondContact O-N 3.11Å; R39-R42 WeakPolarHBondContact O-CB 3.14Å; R39-R42 PolarHBondContact O-N 3.25Å; R39-R42 VanDerWaalsContact O-N 3.13Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 3.02Å; R42-Q45 PolarHBondContact O-N 3.4Å; R42-R46 PolarHBondContact O-N 3.39Å |
| 43 | D | 80.9 | Confident | 74 | Confident | 67 Ų | 67 | 98.5 Ų | 98.5 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.6 | -43.4 | 179.2 | -65.5 | -28.5 | 0 | 0 | 0 | 111.2 | R39 E40 Q45 R46 E47 | R39-D43 PolarHBondContact O-N 2.88Å; E40-D43 PolarHBondContact O-N 3.24Å; D43-Q45 VanDerWaalsContact C-N 3.35Å; D43-Q45 PolarHBondContact O-N 2.9Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 PolarHBondContact O-N 3.32Å; D43-R46 IonicContact OD1-CZ 3.85Å; D43-R46 IonicContact OD1-NH1 3.13Å; D43-R46 PolarHBondContact OD1-NH1 3.42Å; D43-E47 PolarHBondContact O-N 2.74Å |
| 44 | V | 77.8 | Confident | 75.3 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 171.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | L36 E40 R46 E47 I48 | L36-V44 HydrophobicContact CD1-CG2 4.46Å; E40-V44 VanDerWaalsContact O-CG2 3.32Å; E40-V44 WeakPolarHBondContact O-CG2 3.07Å; E40-V44 PolarHBondContact O-N 3.1Å; V44-R46 VanDerWaalsContact C-N 3.28Å; V44-R46 PolarHBondContact O-N 3.07Å; V44-E47 PolarHBondContact O-N 3.17Å; V44-E47 VanDerWaalsContact O-N 3.13Å; V44-I48 HydrophobicContact CG1-CD1 4.03Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.13Å |
| 45 | Q | 77.1 | Confident | 75.7 | Confident | 64 Ų | 64 | 89.9 Ų | 89.9 | 30% | 0.299 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 178.6 | -172.6 | 178.8 | -7.1 | 0 | 0 | 112.3 | R41 R42 D43 E47 I48 L49 | R41-Q45 WeakPolarHBondContact O-CB 3.35Å; R41-Q45 PolarHBondContact O-N 2.99Å; R42-Q45 PolarHBondContact O-N 3.4Å; D43-Q45 VanDerWaalsContact C-N 3.35Å; D43-Q45 PolarHBondContact O-N 2.9Å; Q45-E47 VanDerWaalsContact C-N 3.34Å; Q45-I48 PolarHBondContact O-N 2.81Å; Q45-L49 HydrophobicContact CG-CD1 4.33Å; Q45-L49 WeakPolarHBondContact O-CD1 3.26Å; Q45-L49 VanDerWaalsContact O-CG 3.27Å; Q45-L49 WeakPolarHBondContact O-CG 3.46Å; Q45-L49 PolarHBondContact O-N 3.04Å; Q45-L49 VanDerWaalsContact O-N 3.1Å |
| 46 | R | 80.3 | Confident | 76.5 | Confident | 149 Ų | 149 | 81.6 Ų | 81.6 | 56% | 0.562 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | 175.8 | -169.1 | -175.4 | -65.9 | 112.5 | -1.4 | 111.7 | R42 D43 V44 L49 S50 | R42-R46 PolarHBondContact O-N 3.39Å; D43-R46 WeakPolarHBondContact O-CB 3.43Å; D43-R46 PolarHBondContact O-N 3.32Å; D43-R46 IonicContact OD1-CZ 3.85Å; D43-R46 IonicContact OD1-NH1 3.13Å; D43-R46 PolarHBondContact OD1-NH1 3.42Å; V44-R46 VanDerWaalsContact C-N 3.28Å; V44-R46 PolarHBondContact O-N 3.07Å; R46-L49 PolarHBondContact O-N 2.8Å; R46-S50 WeakPolarHBondContact O-CB 3.16Å; R46-S50 PolarHBondContact O-N 3.25Å |
| 47 | E | 78.6 | Confident | 77 | Confident | 126 Ų | 126 | 82.3 Ų | 82.3 | 59% | 0.589 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 176.6 | -71.7 | -61.4 | 163.3 | 0 | 0 | 112.3 | D43 V44 Q45 L49 S50 V51 | D43-E47 PolarHBondContact O-N 2.74Å; V44-E47 PolarHBondContact O-N 3.17Å; V44-E47 VanDerWaalsContact O-N 3.13Å; Q45-E47 VanDerWaalsContact C-N 3.34Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.85Å; E47-S50 WeakPolarHBondContact O-CB 3.26Å; E47-S50 PolarHBondContact O-N 3.05Å; E47-S50 VanDerWaalsContact O-N 3.15Å; E47-V51 WeakPolarHBondContact O-CG2 3.13Å; E47-V51 PolarHBondContact O-N 3.35Å |
| 48 | I | 78.5 | Confident | 77.1 | Confident | 56 Ų | 56 | 80.9 Ų | 80.9 | 29% | 0.287 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 176.8 | -53.7 | 168 | 0 | 0 | 0 | 110.2 | V44 Q45 S50 V51 L52 L313 W315 | V44-I48 HydrophobicContact CG1-CD1 4.03Å; V44-I48 HydrophobicContact CG1-CG1 4.42Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.13Å; Q45-I48 PolarHBondContact O-N 2.81Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-S50 PolarHBondContact O-N 3.03Å; I48-V51 PolarHBondContact O-N 2.87Å; I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3.15Å; I48-L52 VanDerWaalsContact O-N 3.08Å; I48-L313 HydrophobicContact CD1-CD2 4.11Å; I48-W315 HydrophobicContact CB-CH2 3.95Å; I48-W315 HydrophobicContact CB-CZ2 4.32Å; I48-W315 HydrophobicContact CG2-CH2 3.35Å; I48-W315 HydrophobicContact CG2-CZ2 4.14Å; I48-W315 HydrophobicContact CG2-CZ3 4.08Å |
| 49 | L | 80.1 | Confident | 77.1 | Confident | 10 Ų | 10 | 87.2 Ų | 87.2 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 174.8 | -69.3 | 166.4 | 0 | 0 | 0 | 112.1 | Q45 R46 E47 L52 G53 L54 R57 W315 W318 | Q45-L49 HydrophobicContact CG-CD1 4.33Å; Q45-L49 WeakPolarHBondContact O-CD1 3.26Å; Q45-L49 VanDerWaalsContact O-CG 3.27Å; Q45-L49 WeakPolarHBondContact O-CG 3.46Å; Q45-L49 PolarHBondContact O-N 3.04Å; Q45-L49 VanDerWaalsContact O-N 3.1Å; R46-L49 PolarHBondContact O-N 2.8Å; E47-L49 VanDerWaalsContact C-N 3.3Å; E47-L49 PolarHBondContact O-N 2.85Å; L49-L52 CarbonylContact O-C 3.54Å; L49-L52 VanDerWaalsContact O-C 3.31Å; L49-L52 WeakPolarHBondContact O-CA 3.4Å; L49-L52 PolarHBondContact O-N 3.06Å; L49-L52 VanDerWaalsContact O-N 3.12Å; L49-G53 PolarHBondContact O-N 3.13Å; L49-G53 VanDerWaalsContact O-N 3.1Å; L49-L54 CarbonylContact C-O 3.58Å; L49-L54 HydrophobicContact CB-CB 4.33Å; L49-L54 HydrophobicContact CD2-CB 4.24Å; L49-L54 HydrophobicContact CD2-CD1 3.97Å; L49-L54 PolarHBondContact O-N 3.5Å; L49-R57 HydrophobicContact CD1-CB 4.05Å; L49-W315 HydrophobicContact CD2-CH2 4.08Å; L49-W315 HydrophobicContact CD2-CZ2 3.82Å; L49-W315 HydrophobicContact CG-CH2 4.43Å; L49-W315 HydrophobicContact CG-CZ2 4.03Å; L49-W318 HydrophobicContact CD2-CZ2 4.31Å |
| 50 | S | 77.4 | Confident | 76.6 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 52% | 0.517 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | R46 E47 I48 L52 G53 | R46-S50 WeakPolarHBondContact O-CB 3.16Å; R46-S50 PolarHBondContact O-N 3.25Å; E47-S50 WeakPolarHBondContact O-CB 3.26Å; E47-S50 PolarHBondContact O-N 3.05Å; E47-S50 VanDerWaalsContact O-N 3.15Å; I48-S50 VanDerWaalsContact C-N 3.34Å; I48-S50 PolarHBondContact O-N 3.03Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.04Å; S50-G53 WeakPolarHBondContact O-CA 3.48Å; S50-G53 PolarHBondContact O-N 3.44Å |
| 51 | V | 76.5 | Confident | 76 | Confident | 88 Ų | 88 | 86.8 Ų | 86.8 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 173.7 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | E47 I48 G53 M394 | E47-V51 WeakPolarHBondContact O-CG2 3.13Å; E47-V51 PolarHBondContact O-N 3.35Å; I48-V51 PolarHBondContact O-N 2.87Å; V51-G53 PolarHBondContact O-N 3.31Å; V51-M394 HydrophobicContact CG1-CE 3.95Å; V51-M394 HydrophobicContact CG1-SD 3.56Å; V51-M394 VanDerWaalsContact CG1-SD 3.56Å |
| 52 | L | 72.6 | Confident | 75.4 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 7.5 | 171.7 | -62.4 | -179.9 | 0 | 0 | 0 | 113.6 | I48 L49 S50 L54 W315 R389 H391 M394 | I48-L52 WeakPolarHBondContact O-CG 3.47Å; I48-L52 PolarHBondContact O-N 3.15Å; I48-L52 VanDerWaalsContact O-N 3.08Å; L49-L52 CarbonylContact O-C 3.54Å; L49-L52 VanDerWaalsContact O-C 3.31Å; L49-L52 WeakPolarHBondContact O-CA 3.4Å; L49-L52 PolarHBondContact O-N 3.06Å; L49-L52 VanDerWaalsContact O-N 3.12Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.04Å; L52-L54 HydrophobicContact CB-CD1 4.23Å; L52-L54 HydrophobicContact CB-CG 4.27Å; L52-L54 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact O-N 3.16Å; L52-W315 HydrophobicContact CD1-CE3 4.38Å; L52-W315 HydrophobicContact CD1-CH2 3.74Å; L52-W315 HydrophobicContact CD1-CZ3 3.35Å; L52-R389 PolarHBondContact O-NH1 3.31Å; L52-H391 PolarHBondContact O-CE1 2.89Å; L52-M394 HydrophobicContact CD2-CE 4.09Å |
| 53 | G | 69.9 | Low | 74.7 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 45% | 0.454 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L49 S50 V51 R389 | L49-G53 PolarHBondContact O-N 3.13Å; L49-G53 VanDerWaalsContact O-N 3.1Å; S50-G53 WeakPolarHBondContact O-CA 3.48Å; S50-G53 PolarHBondContact O-N 3.44Å; V51-G53 PolarHBondContact O-N 3.31Å; G53-R389 VanDerWaalsContact CA-NH1 3.27Å |
| 54 | L | 72.6 | Confident | 73.8 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | trans | -96.5 | 122.7 | 173.8 | -66.1 | 174.4 | 0 | 0 | 0 | 108.7 | L49 L52 G56 P58 W318 Y379 | L49-L54 CarbonylContact C-O 3.58Å; L49-L54 HydrophobicContact CB-CB 4.33Å; L49-L54 HydrophobicContact CD2-CB 4.24Å; L49-L54 HydrophobicContact CD2-CD1 3.97Å; L49-L54 PolarHBondContact O-N 3.5Å; L52-L54 HydrophobicContact CB-CD1 4.23Å; L52-L54 HydrophobicContact CB-CG 4.27Å; L52-L54 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact O-N 3.16Å; L54-G56 PolarHBondContact O-N 3.26Å; L54-G56 VanDerWaalsContact O-N 3.16Å; L54-P58 HydrophobicContact CD1-CG 4.47Å; L54-W318 HydrophobicContact CD1-CH2 3.42Å; L54-W318 VanDerWaalsContact CD1-CH2 3.42Å; L54-W318 HydrophobicContact CD1-CZ2 4.33Å; L54-W318 HydrophobicContact CD1-CZ3 3.59Å; L54-Y379 HydrophobicContact CD2-CE2 3.71Å; L54-Y379 WeakPolarHBondContact CD2-OH 3.41Å | ||
| 55 | P | 68.3 | Low | 73 | Confident | 143 Ų | 143 | 74.2 Ų | 74.2 | 93% | 0.929 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -65.4 | -18 | 178.2 | 26.4 | -33.9 | 0 | 0 | 0 | 112.7 | ||
| 56 | G | 77.4 | Confident | 72.2 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 36% | 0.361 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -171.1 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L54 P58 | L54-G56 PolarHBondContact O-N 3.26Å; L54-G56 VanDerWaalsContact O-N 3.16Å; G56-P58 VanDerWaalsContact O-CD 3.3Å; G56-P58 WeakPolarHBondContact O-CD 3.22Å |
| 57 | R | 81 | Confident | 71.2 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 32% | 0.321 | 42% | 0.422 | S | S | . | . | trans | -64.7 | 120.3 | 175.5 | 173.9 | 171 | 171.6 | 165.7 | -4.4 | 109 | L49 R59 G314 D317 | L49-R57 HydrophobicContact CD1-CB 4.05Å; R57-R59 PolarHBondContact O-N 3.4Å; R57-G314 PolarHBondContact NH1-O 3.15Å; R57-G314 PolarHBondContact NH2-O 3.24Å; R57-D317 IonicContact CZ-OD1 2.65Å; R57-D317 IonicContact CZ-OD2 3.56Å; R57-D317 IonicContact NE-OD1 3.01Å; R57-D317 IonicContact NE-OD2 3.77Å; R57-D317 PolarHBondContact NE-OD2 3.35Å; R57-D317 IonicContact NH2-OD1 3.55Å; R57-D317 PolarHBondContact NH2-OD1 3.27Å; R57-D317 IonicContact NH2-OD2 2.73Å; R57-D317 PolarHBondContact NH2-OD2 2.9Å | ||
| 58 | P | 80.6 | Confident | 70.8 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.045 | 40% | 0.402 | C | S | . | . | trans | -56.6 | 139 | 172.3 | -23.7 | 35 | 0 | 0 | 0 | 110.1 | L54 G56 P60 W318 Y380 | L54-P58 HydrophobicContact CD1-CG 4.47Å; G56-P58 VanDerWaalsContact O-CD 3.3Å; G56-P58 WeakPolarHBondContact O-CD 3.22Å; P58-P60 WeakPolarHBondContact O-CD 3.42Å; P58-W318 HydrophobicContact CB-CB 4.32Å; P58-W318 HydrophobicContact CB-CD2 4.38Å; P58-W318 HydrophobicContact CB-CE3 4.34Å; P58-W318 HydrophobicContact CB-CG 4.34Å; P58-W318 HydrophobicContact CG-CD2 4.03Å; P58-W318 HydrophobicContact CG-CE3 3.7Å; P58-W318 HydrophobicContact CG-CG 4.5Å; P58-W318 HydrophobicContact CG-CZ3 4.19Å; P58-Y380 WeakPolarHBondContact CB-O 3.28Å | ||
| 59 | R | 77.6 | Confident | 70.3 | Confident | 206 Ų | 206 | 72.1 Ų | 72.1 | 78% | 0.777 | 42% | 0.42 | S | S | * | . | trans | -121.7 | 81.5 | 171.8 | -67.9 | -172 | -177.4 | -171.6 | 0.5 | 108 | R57 R61 | R57-R59 PolarHBondContact O-N 3.4Å; R59-R61 PolarHBondContact O-N 3.42Å | ||
| 60 | P | 68.6 | Low | 70.1 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 13% | 0.13 | 44% | 0.443 | C | S | . | . | trans | -54.6 | 132.9 | 178.5 | -23.1 | 33.9 | 0 | 0 | 0 | 109.6 | P58 A62 W318 N384 | P58-P60 WeakPolarHBondContact O-CD 3.42Å; P60-A62 PolarHBondContact O-N 3.12Å; P60-W318 HydrophobicContact CG-CB 3.77Å; P60-N384 WeakPolarHBondContact CB-OD1 3.06Å | ||
| 61 | R | 64.8 | Low | 70.5 | Confident | 229 Ų | 229 | 72.9 Ų | 72.9 | 86% | 0.864 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -66.6 | -22.2 | -176.6 | -68.6 | -178.6 | 175.4 | 172.6 | -0.4 | 113.6 | R59 | R59-R61 PolarHBondContact O-N 3.42Š|
| 62 | A | 64.8 | Low | 71.2 | Confident | 51 Ų | 51 | 69 Ų | 69 | 42% | 0.421 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -95.3 | 165.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P60 R68 | P60-A62 PolarHBondContact O-N 3.12Å; A62-R68 PolarHBondContact O-NH2 3.33Å |
| 63 | A | 63.2 | Low | 72.1 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -44.9 | 155.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S67 R68 | A63-S67 WeakPolarHBondContact CB-OG 3.34Å; A63-R68 PolarHBondContact O-NE 3.37Å; A63-R68 PolarHBondContact O-NH2 3.49Å |
| 64 | P | 62.2 | Low | 73.1 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | trans | -48.2 | 145.2 | -175.2 | -26.7 | 32.5 | 0 | 0 | 0 | 113 | A66 S67 | P64-A66 PolarHBondContact O-N 3.34Å; P64-A66 VanDerWaalsContact O-N 3.09Å; P64-S67 WeakPolarHBondContact CD-OG 3.47Å; P64-S67 PolarHBondContact O-N 3.2Å; P64-S67 PolarHBondContact O-OG 2.88Å | ||
| 65 | A | 61.8 | Low | 74 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -45 | -46.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S67 R68 D317 I320 Y380 | A65-S67 PolarHBondContact O-N 3.49Å; A65-R68 PolarHBondContact O-N 3.18Å; A65-D317 PolarHBondContact N-O 3.09Å; A65-I320 HydrophobicContact CB-CG1 4.46Å; A65-Y380 HydrophobicContact CB-CD2 3.93Å; A65-Y380 HydrophobicContact CB-CE2 3.74Å |
| 66 | A | 58.4 | Low | 75.2 | Confident | 103 Ų | 103 | 65 Ų | 65 | 85% | 0.851 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -64.1 | -17.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P64 | P64-A66 PolarHBondContact O-N 3.34Å; P64-A66 VanDerWaalsContact O-N 3.09Å |
| 67 | S | 59.7 | Low | 76 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -103.2 | -2.2 | -178 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | A63 P64 A65 | A63-S67 WeakPolarHBondContact CB-OG 3.34Å; P64-S67 WeakPolarHBondContact CD-OG 3.47Å; P64-S67 PolarHBondContact O-N 3.2Å; P64-S67 PolarHBondContact O-OG 2.88Å; A65-S67 PolarHBondContact O-N 3.49Å |
| 68 | R | 70.4 | Confident | 76.5 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 17% | 0.174 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -79.7 | 133.8 | -178 | -65.4 | 179.7 | -176.7 | -162.9 | -7.1 | 110.1 | A62 A63 A65 Y380 N384 | A62-R68 PolarHBondContact O-NH2 3.33Å; A63-R68 PolarHBondContact O-NE 3.37Å; A63-R68 PolarHBondContact O-NH2 3.49Å; A65-R68 PolarHBondContact O-N 3.18Å; R68-Y380 VanDerWaalsContact NH1-CD1 3.3Å; R68-Y380 VanDerWaalsContact NH1-CE1 3.28Å; R68-N384 PolarHBondContact NH1-OD1 2.85Å; R68-N384 VanDerWaalsContact NH1-OD1 3.11Å; R68-N384 PolarHBondContact NH2-OD1 2.87Å |
| 69 | L | 68.9 | Low | 77.1 | Confident | 129 Ų | 129 | 66.3 Ų | 66.3 | 68% | 0.675 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 141.7 | 167.1 | -71.8 | 170 | 0 | 0 | 0 | 110 | A71 | L69-A71 PolarHBondContact O-N 2.65Š|
| 70 | P | 75.5 | Confident | 77.7 | Confident | 81 Ų | 81 | 56.9 Ų | 56.9 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 127.4 | 179.7 | -22.5 | 31.8 | 0 | 0 | 0 | 111.6 | L75 | P70-L75 HydrophobicContact CB-CD1 3.83Å; P70-L75 HydrophobicContact CB-CD2 4.09Å; P70-L75 HydrophobicContact CB-CG 4.05Å |
| 71 | A | 85.9 | Confident | 78.8 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | trans | -116.9 | 156.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L69 A73 P74 L75 R242 | L69-A71 PolarHBondContact O-N 2.65Å; A71-A73 PolarHBondContact O-N 3.44Å; A71-P74 HydrophobicContact CB-CG 4.07Å; A71-P74 WeakPolarHBondContact O-CD 3.35Å; A71-L75 WeakPolarHBondContact O-CB 3.42Å; A71-L75 WeakPolarHBondContact O-CG 3.21Å; A71-L75 PolarHBondContact O-N 2.82Å; A71-R242 CarbonylContact C-O 3.31Å; A71-R242 WeakPolarHBondContact CA-O 3.46Å; A71-R242 HydrophobicContact CB-CB 4.23Å | ||
| 72 | S | 91.2 | Very high | 80 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.9 | -51.2 | -173.2 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | L75 F76 R242 S243 Q245 F247 | S72-L75 PolarHBondContact O-N 3.24Å; S72-F76 WeakPolarHBondContact O-CB 3.43Å; S72-F76 PolarHBondContact O-N 3.33Å; S72-R242 PolarHBondContact N-O 2.97Å; S72-S243 WeakPolarHBondContact CB-O 3.37Å; S72-Q245 VanDerWaalsContact CB-O 3.29Å; S72-Q245 WeakPolarHBondContact CB-O 3.4Å; S72-Q245 PolarHBondContact OG-O 3.23Å; S72-F247 WeakPolarHBondContact OG-CD1 3.43Å |
| 73 | A | 91.2 | Very high | 81 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -52.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A71 L75 F76 M77 V109 F247 | A71-A73 PolarHBondContact O-N 3.44Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 2.82Å; A73-F76 PolarHBondContact O-N 2.74Å; A73-M77 WeakPolarHBondContact O-CB 3.49Å; A73-M77 WeakPolarHBondContact O-CG 3.32Å; A73-M77 PolarHBondContact O-N 3.46Å; A73-V109 HydrophobicContact CB-CG1 4.33Å; A73-F247 HydrophobicContact CB-CB 4.05Å; A73-F247 HydrophobicContact CB-CD1 4.38Å; A73-F247 HydrophobicContact CB-CD2 3.95Å; A73-F247 HydrophobicContact CB-CE2 4.49Å; A73-F247 HydrophobicContact CB-CG 3.88Å |
| 74 | P | 91.4 | Very high | 81.7 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 15% | 0.149 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | 174.5 | -23.7 | 27.9 | 0 | 0 | 0 | 114.9 | A71 M77 L78 Y380 V386 | A71-P74 HydrophobicContact CB-CG 4.07Å; A71-P74 WeakPolarHBondContact O-CD 3.35Å; P74-M77 PolarHBondContact O-N 3.46Å; P74-L78 WeakPolarHBondContact O-CB 3.33Å; P74-L78 PolarHBondContact O-N 2.94Å; P74-Y380 HydrophobicContact CG-CE1 4.25Å; P74-Y380 WeakPolarHBondContact CG-OH 3.41Å; P74-V386 HydrophobicContact CB-CG2 3.99Å; P74-V386 HydrophobicContact CG-CG2 3.69Å |
| 75 | L | 91.8 | Very high | 82.2 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -51.6 | 177.2 | -76.1 | 172.2 | 0 | 0 | 0 | 110.7 | P70 A71 S72 A73 M77 L78 D79 | P70-L75 HydrophobicContact CB-CD1 3.83Å; P70-L75 HydrophobicContact CB-CD2 4.09Å; P70-L75 HydrophobicContact CB-CG 4.05Å; A71-L75 WeakPolarHBondContact O-CB 3.42Å; A71-L75 WeakPolarHBondContact O-CG 3.21Å; A71-L75 PolarHBondContact O-N 2.82Å; S72-L75 PolarHBondContact O-N 3.24Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-L75 PolarHBondContact O-N 2.82Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 2.98Å; L75-L78 PolarHBondContact O-N 3Å; L75-D79 PolarHBondContact O-N 3.05Å |
| 76 | F | 93.8 | Very high | 82.1 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 177 | 170.9 | -101.6 | 0 | 0 | 0 | 112.5 | S72 A73 L78 D79 L80 F247 V249 | S72-F76 WeakPolarHBondContact O-CB 3.43Å; S72-F76 PolarHBondContact O-N 3.33Å; A73-F76 PolarHBondContact O-N 2.74Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.25Å; F76-D79 PolarHBondContact O-N 3.21Å; F76-L80 HydrophobicContact CE1-CD2 4.36Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.12Å; F76-F247 HydrophobicContact CB-CE2 4.11Å; F76-F247 HydrophobicContact CB-CZ 3.62Å; F76-F247 AromaticContact CD1-CE2 3.66Å; F76-F247 HydrophobicContact CD1-CE2 3.66Å; F76-F247 AromaticContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CE1-CE2 4.36Å; F76-F247 AromaticContact CG-CE2 3.97Å; F76-F247 HydrophobicContact CG-CE2 3.97Å; F76-F247 AromaticContact CG-CZ 3.75Å; F76-F247 HydrophobicContact CG-CZ 3.75Å; F76-V249 HydrophobicContact CE1-CB 4.01Å; F76-V249 HydrophobicContact CE1-CG1 3.93Å; F76-V249 HydrophobicContact CE1-CG2 3.92Å; F76-V249 HydrophobicContact CZ-CG1 4.32Å |
| 77 | M | 93.6 | Very high | 82 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.8 | -28.8 | -178.9 | -68.3 | -67.1 | -70.8 | 0 | 0 | 112.6 | A73 P74 L75 L80 Y81 V105 V249 L378 V386 L388 | A73-M77 WeakPolarHBondContact O-CB 3.49Å; A73-M77 WeakPolarHBondContact O-CG 3.32Å; A73-M77 PolarHBondContact O-N 3.46Å; P74-M77 PolarHBondContact O-N 3.46Å; L75-M77 VanDerWaalsContact C-N 3.32Å; L75-M77 PolarHBondContact O-N 2.98Å; M77-L80 HydrophobicContact SD-CD2 4.12Å; M77-Y81 WeakPolarHBondContact O-CB 3.46Å; M77-Y81 PolarHBondContact O-N 2.99Å; M77-V105 HydrophobicContact CE-CB 4Å; M77-V105 HydrophobicContact CE-CG1 3.8Å; M77-V105 WeakPolarHBondContact CE-O 3.44Å; M77-V105 HydrophobicContact SD-CG1 3.99Å; M77-V249 HydrophobicContact SD-CG2 4.17Å; M77-L378 HydrophobicContact CB-CD1 3.9Å; M77-L378 HydrophobicContact CE-CD1 4.43Å; M77-V386 HydrophobicContact CB-CB 4.35Å; M77-V386 HydrophobicContact CB-CG1 3.74Å; M77-V386 HydrophobicContact CG-CB 4.16Å; M77-V386 HydrophobicContact CG-CG1 4.05Å; M77-L388 HydrophobicContact CE-CB 3.58Å |
| 78 | L | 92.2 | Very high | 81.7 | Confident | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.6 | -42.4 | 172.8 | -175.4 | 64.5 | 0 | 0 | 0 | 111.5 | P74 L75 F76 L80 Y81 H82 I320 A321 L378 | P74-L78 WeakPolarHBondContact O-CB 3.33Å; P74-L78 PolarHBondContact O-N 2.94Å; L75-L78 PolarHBondContact O-N 3Å; F76-L78 VanDerWaalsContact C-N 3.31Å; F76-L78 PolarHBondContact O-N 3.25Å; L78-L80 VanDerWaalsContact C-N 3.3Å; L78-L80 PolarHBondContact O-N 3.07Å; L78-Y81 HydrophobicContact CD1-CD1 4.4Å; L78-Y81 WeakPolarHBondContact O-CB 3.46Å; L78-Y81 PolarHBondContact O-N 3.13Å; L78-H82 PolarHBondContact O-N 3.14Å; L78-I320 HydrophobicContact CD1-CG2 4.44Å; L78-A321 HydrophobicContact CD1-CB 4.22Å; L78-L378 HydrophobicContact CB-CD2 4.18Å; L78-L378 HydrophobicContact CD1-CD2 3.85Å |
| 79 | D | 91.8 | Very high | 80.7 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 173.6 | -66.3 | -23.8 | 0 | 0 | 0 | 110.8 | L75 F76 Y81 H82 A83 | L75-D79 PolarHBondContact O-N 3.05Å; F76-D79 PolarHBondContact O-N 3.21Å; D79-Y81 VanDerWaalsContact C-N 3.34Å; D79-Y81 PolarHBondContact O-N 2.82Å; D79-H82 PolarHBondContact O-N 3.47Å; D79-A83 WeakPolarHBondContact O-CB 3.28Å; D79-A83 PolarHBondContact O-N 3.4Å |
| 80 | L | 91.2 | Very high | 79.6 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 173.9 | 179.6 | 60.8 | 0 | 0 | 0 | 111.9 | F76 M77 L78 A83 M84 L99 V105 F251 L388 | F76-L80 HydrophobicContact CE1-CD2 4.36Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.12Å; M77-L80 HydrophobicContact SD-CD2 4.12Å; L78-L80 VanDerWaalsContact C-N 3.3Å; L78-L80 PolarHBondContact O-N 3.07Å; L80-A83 PolarHBondContact O-N 3.42Å; L80-M84 HydrophobicContact CD1-CE 4.32Å; L80-M84 HydrophobicContact CD1-CG 4.24Å; L80-M84 HydrophobicContact CD1-SD 4.21Å; L80-M84 HydrophobicContact CG-CE 3.97Å; L80-M84 HydrophobicContact CG-SD 4.5Å; L80-M84 WeakPolarHBondContact O-CG 3.5Å; L80-M84 PolarHBondContact O-N 3.19Å; L80-L99 HydrophobicContact CD1-CD2 3.24Å; L80-L99 HydrophobicContact CD1-CG 3.67Å; L80-V105 HydrophobicContact CD2-CB 4.38Å; L80-V105 HydrophobicContact CD2-CG1 3.87Å; L80-V105 HydrophobicContact CD2-CG2 4.37Å; L80-F251 HydrophobicContact CD2-CE1 4.19Å; L80-L388 HydrophobicContact CB-CD2 4.43Å; L80-L388 HydrophobicContact CD2-CD2 4.07Å; L80-L388 HydrophobicContact CG-CD2 3.93Å |
| 81 | Y | 90.8 | Very high | 78.2 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 175 | 169 | -99.6 | 0 | 0 | 0 | 111.8 | M77 L78 D79 A83 M84 A85 A321 P322 S376 L378 L388 | M77-Y81 WeakPolarHBondContact O-CB 3.46Å; M77-Y81 PolarHBondContact O-N 2.99Å; L78-Y81 HydrophobicContact CD1-CD1 4.4Å; L78-Y81 WeakPolarHBondContact O-CB 3.46Å; L78-Y81 PolarHBondContact O-N 3.13Å; D79-Y81 VanDerWaalsContact C-N 3.34Å; D79-Y81 PolarHBondContact O-N 2.82Å; Y81-A83 VanDerWaalsContact C-N 3.34Å; Y81-A83 PolarHBondContact O-N 2.88Å; Y81-M84 PolarHBondContact O-N 3.02Å; Y81-A85 VanDerWaalsContact O-CB 3.28Å; Y81-A85 WeakPolarHBondContact O-CB 3.47Å; Y81-A85 PolarHBondContact O-N 3.14Å; Y81-A321 HydrophobicContact CD1-CB 3.88Å; Y81-A321 HydrophobicContact CE1-CB 3.65Å; Y81-A321 HydrophobicContact CG-CB 4.47Å; Y81-P322 WeakPolarHBondContact OH-CB 3.16Å; Y81-P322 WeakPolarHBondContact OH-CD 3.32Å; Y81-S376 WeakPolarHBondContact CE2-O 3.23Å; Y81-L378 HydrophobicContact CD2-CB 4.42Å; Y81-L388 HydrophobicContact CD2-CD1 3.82Å |
| 82 | H | 90 | Very high | 76 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -39 | 178 | -65.2 | 153.1 | 0 | 0 | 0 | 112.3 | L78 D79 M84 A85 G86 | L78-H82 PolarHBondContact O-N 3.14Å; D79-H82 PolarHBondContact O-N 3.47Å; H82-M84 VanDerWaalsContact C-N 3.32Å; H82-M84 PolarHBondContact O-N 2.98Å; H82-A85 PolarHBondContact O-N 2.91Å; H82-G86 PolarHBondContact O-N 2.87Å |
| 83 | A | 86.6 | Confident | 73.6 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 49% | 0.488 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D79 L80 Y81 | D79-A83 WeakPolarHBondContact O-CB 3.28Å; D79-A83 PolarHBondContact O-N 3.4Å; L80-A83 PolarHBondContact O-N 3.42Å; Y81-A83 VanDerWaalsContact C-N 3.34Å; Y81-A83 PolarHBondContact O-N 2.88Å |
| 84 | M | 78.3 | Confident | 71 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 15% | 0.153 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -83.2 | -29.9 | 179.3 | -67.5 | -167.5 | -56.4 | 0 | 0 | 113.8 | L80 Y81 H82 G86 D87 L388 | L80-M84 HydrophobicContact CD1-CE 4.32Å; L80-M84 HydrophobicContact CD1-CG 4.24Å; L80-M84 HydrophobicContact CD1-SD 4.21Å; L80-M84 HydrophobicContact CG-CE 3.97Å; L80-M84 HydrophobicContact CG-SD 4.5Å; L80-M84 WeakPolarHBondContact O-CG 3.5Å; L80-M84 PolarHBondContact O-N 3.19Å; Y81-M84 PolarHBondContact O-N 3.02Å; H82-M84 VanDerWaalsContact C-N 3.32Å; H82-M84 PolarHBondContact O-N 2.98Å; M84-G86 PolarHBondContact O-N 2.03Å; M84-D87 PolarHBondContact O-N 2.04Å; M84-L388 HydrophobicContact CE-CD1 4.35Å; M84-L388 HydrophobicContact CE-CD2 3.1Å; M84-L388 HydrophobicContact CE-CG 3.7Å |
| 85 | A | 71.3 | Confident | 68.5 | Low | 47 Ų | 47 | 79 Ų | 79 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.7 | -23.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y81 H82 | Y81-A85 VanDerWaalsContact O-CB 3.28Å; Y81-A85 WeakPolarHBondContact O-CB 3.47Å; Y81-A85 PolarHBondContact O-N 3.14Å; H82-A85 PolarHBondContact O-N 2.91Å |
| 86 | G | 60.8 | Low | 66.2 | Low | 62 Ų | 62 | 84.1 Ų | 84.1 | 64% | 0.639 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H82 M84 | H82-G86 PolarHBondContact O-N 2.87Å; M84-G86 PolarHBondContact O-N 2.03Å |
| 87 | D | 56.3 | Low | 64.1 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 40% | 0.401 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -95.1 | -10.8 | -174.3 | -86.9 | -11.7 | 0 | 0 | 0 | 113.7 | M84 D89 K90 R97 | M84-D87 PolarHBondContact O-N 2.04Å; D87-D89 PolarHBondContact O-N 3.19Å; D87-D89 VanDerWaalsContact O-N 3.17Å; D87-K90 PolarHBondContact O-N 2.84Å; D87-R97 IonicContact OD2-NH1 2.89Å |
| 88 | D | 53.1 | Low | 61.7 | Low | 68 Ų | 68 | 102 Ų | 102 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -3.1 | -174.3 | -80.6 | -34.8 | 0 | 0 | 0 | 114.7 | K390 | D88-K390 IonicContact OD1-NZ 3.76Å; D88-K390 PolarHBondContact OD1-NZ 2.03Å |
| 89 | D | 49.4 | Very low | 59.8 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 78% | 0.775 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -0.2 | 178.2 | -80.5 | -31.4 | 0 | 0 | 0 | 114.4 | D87 | D87-D89 PolarHBondContact O-N 3.19Å; D87-D89 VanDerWaalsContact O-N 3.17Å |
| 90 | K | 45.4 | Very low | 57.9 | Low | 165 Ų | 165 | 100.4 Ų | 100.4 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | trans | -125.3 | 92.2 | -179.5 | -65.1 | -178.3 | -177.7 | 176.2 | 0 | 110.8 | D87 D92 | D87-K90 PolarHBondContact O-N 2.84Å; K90-D92 PolarHBondContact O-N 3.09Å | ||
| 91 | D | 45.8 | Very low | 56.5 | Low | 138 Ų | 138 | 108.2 Ų | 108.2 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -0.9 | 176.2 | -89.6 | -27.8 | 0 | 0 | 0 | 113.7 | K371 | D91-K371 IonicContact OD2-NZ 3.44Å; D91-K371 PolarHBondContact OD2-NZ 2.95Å |
| 92 | D | 40.5 | Very low | 55.9 | Low | 162 Ų | 162 | 107.2 Ų | 107.2 | 87% | 0.866 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 34.4 | -172.8 | -74.6 | -47.6 | 0 | 0 | 0 | 115.3 | K90 | K90-D92 PolarHBondContact O-N 3.09Š|
| 93 | A | 40 | Very low | 55.6 | Low | 68 Ų | 68 | 103 Ų | 103 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | trans | -84.6 | 139.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 94 | P | 36.6 | Very low | 55.7 | Low | 121 Ų | 121 | 100.4 Ų | 100.4 | 79% | 0.786 | 55% | 0.547 | S | S | * | . | trans | -63.2 | 149.3 | 178.8 | -15.4 | 28.3 | 0 | 0 | 0 | 112.2 | E96 | P94-E96 PolarHBondContact O-N 2.86Š| ||
| 95 | A | 40 | Very low | 56.4 | Low | 111 Ų | 111 | 99 Ų | 99 | 92% | 0.917 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -69.7 | 34.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 96 | E | 43.3 | Very low | 57.3 | Low | 179 Ų | 179 | 96.8 Ų | 96.8 | 84% | 0.836 | 52% | 0.522 | S | S | * | . | trans | -118.2 | 81.4 | 175.2 | -72.4 | -164 | 159.4 | 0 | 0 | 111.7 | P94 | P94-E96 PolarHBondContact O-N 2.86Š| ||
| 97 | R | 48.7 | Very low | 58.8 | Low | 183 Ų | 183 | 93.9 Ų | 93.9 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | trans | -162.8 | 106.4 | 147.7 | -98.2 | 153.7 | -170.2 | -171.5 | 3.6 | 106.5 | D87 L99 G100 | D87-R97 IonicContact OD2-NH1 2.89Å; R97-L99 PolarHBondContact O-N 2.91Å; R97-G100 PolarHBondContact O-N 3.04Å | ||
| 98 | R | 43.7 | Very low | 60.4 | Low | 225 Ų | 225 | 90.4 Ų | 90.4 | 85% | 0.849 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -48.9 | -27.2 | 178.5 | -67.9 | 179.8 | -177.7 | -179.8 | 0.3 | 112.7 | G100 | R98-G100 PolarHBondContact O-N 2.73Š|
| 99 | L | 51.9 | Low | 62 | Low | 65 Ų | 65 | 90.4 Ų | 90.4 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -60.4 | -36.2 | 175.7 | -93.2 | 61.2 | 0 | 0 | 0 | 114.9 | L80 R97 R101 F251 | L80-L99 HydrophobicContact CD1-CD2 3.24Å; L80-L99 HydrophobicContact CD1-CG 3.67Å; R97-L99 PolarHBondContact O-N 2.91Å; L99-R101 PolarHBondContact O-N 3.44Å; L99-F251 HydrophobicContact CD1-CE1 4.11Å; L99-F251 HydrophobicContact CD1-CZ 4.22Å; L99-F251 HydrophobicContact CG-CE1 4.18Å |
| 100 | G | 52.2 | Low | 63.7 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -76.2 | -5.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | R97 R98 | R97-G100 PolarHBondContact O-N 3.04Å; R98-G100 PolarHBondContact O-N 2.73Å |
| 101 | R | 62.7 | Low | 64.8 | Low | 170 Ų | 170 | 80 Ų | 80 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -106.5 | -8.8 | -174 | -151.2 | 176.5 | -169.4 | -172.6 | 3.1 | 114.1 | L99 R253 | L99-R101 PolarHBondContact O-N 3.44Å; R101-R253 VanDerWaalsContact NE-NH1 3.18Å |
| 102 | A | 77.3 | Confident | 65.8 | Low | 10 Ų | 10 | 75.9 Ų | 75.9 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | trans | -79.7 | 128.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V105 F251 F252 | A102-V105 HydrophobicContact CB-CG2 4Å; A102-F251 HydrophobicContact CB-CB 4.13Å; A102-F251 HydrophobicContact CB-CD1 4.12Å; A102-F252 CarbonylContact C-O 3.49Å; A102-F252 VanDerWaalsContact CA-O 3.29Å; A102-F252 WeakPolarHBondContact CA-O 3.16Å; A102-F252 WeakPolarHBondContact CB-O 3.24Å | ||
| 103 | D | 84.1 | Confident | 66.6 | Low | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -84.4 | -20 | 175.3 | -70.2 | -58.2 | 0 | 0 | 0 | 111.2 | F252 K390 R392 | D103-F252 PolarHBondContact N-O 3.06Å; D103-K390 PolarHBondContact O-N 3.4Å; D103-R392 VanDerWaalsContact CG-NH2 3.29Å; D103-R392 IonicContact OD1-CZ 2.82Å; D103-R392 IonicContact OD1-NE 2.65Å; D103-R392 PolarHBondContact OD1-NE 2.84Å; D103-R392 IonicContact OD1-NH2 3.45Å; D103-R392 PolarHBondContact OD1-NH2 3.34Å; D103-R392 IonicContact OD2-NH2 3.92Å; D103-R392 PolarHBondContact OD2-NH2 2.98Å |
| 104 | L | 88.5 | Confident | 67.5 | Low | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 135.3 | -178.4 | 172.3 | 72.5 | 0 | 0 | 0 | 109.7 | M106 P136 E139 F252 I387 L388 R389 | L104-M106 HydrophobicContact CD1-CG 4.23Å; L104-M106 HydrophobicContact CD2-CG 4.38Å; L104-M106 HydrophobicContact CD2-SD 4.17Å; L104-M106 HydrophobicContact CG-CG 4.16Å; L104-P136 HydrophobicContact CD2-CG 4.24Å; L104-E139 HydrophobicContact CD2-CG 3.86Å; L104-F252 HydrophobicContact CB-CB 4.05Å; L104-F252 HydrophobicContact CB-CD2 4.46Å; L104-F252 HydrophobicContact CD2-CB 4.25Å; L104-F252 HydrophobicContact CD2-CD2 4Å; L104-F252 HydrophobicContact CD2-CG 4.21Å; L104-F252 HydrophobicContact CG-CB 4.35Å; L104-F252 HydrophobicContact CG-CD2 3.97Å; L104-F252 HydrophobicContact CG-CG 4.47Å; L104-F252 PolarHBondContact N-O 2.75Å; L104-F252 WeakPolarHBondContact O-CA 3.04Å; L104-F252 PolarHBondContact O-N 3.03Å; L104-I387 HydrophobicContact CD1-CG2 3.37Å; L104-L388 CarbonylContact C-O 3.5Å; L104-L388 WeakPolarHBondContact CA-O 3.36Å; L104-R389 HydrophobicContact CD1-CB 4.13Å; L104-R389 HydrophobicContact CD1-CG 4.2Å |
| 105 | V | 91.8 | Very high | 68.3 | Low | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 131 | 172.1 | -172.5 | 0 | 0 | 0 | 0 | 108 | M77 L80 A102 V249 T250 F251 I387 L388 | M77-V105 HydrophobicContact CE-CB 4Å; M77-V105 HydrophobicContact CE-CG1 3.8Å; M77-V105 WeakPolarHBondContact CE-O 3.44Å; M77-V105 HydrophobicContact SD-CG1 3.99Å; L80-V105 HydrophobicContact CD2-CB 4.38Å; L80-V105 HydrophobicContact CD2-CG1 3.87Å; L80-V105 HydrophobicContact CD2-CG2 4.37Å; A102-V105 HydrophobicContact CB-CG2 4Å; V105-V249 HydrophobicContact CG1-CG2 3.43Å; V105-V249 VanDerWaalsContact CG1-CG2 3.43Å; V105-T250 WeakPolarHBondContact CA-O 3.46Å; V105-F251 HydrophobicContact CB-CD1 4.43Å; V105-F251 HydrophobicContact CG1-CD1 3.97Å; V105-F251 HydrophobicContact CG1-CE1 3.97Å; V105-F251 HydrophobicContact CG1-CG 4.47Å; V105-F251 HydrophobicContact CG1-CZ 4.48Å; V105-F251 HydrophobicContact CG2-CD1 3.59Å; V105-F251 HydrophobicContact CG2-CE1 4.02Å; V105-F251 HydrophobicContact CG2-CG 4.47Å; V105-I387 WeakPolarHBondContact O-CA 3.4Å; V105-L388 HydrophobicContact CB-CB 4.27Å; V105-L388 PolarHBondContact N-O 2.85Å; V105-L388 PolarHBondContact O-N 2.85Å |
| 106 | M | 91.6 | Very high | 68.9 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.8 | 178.3 | -56.6 | 178.8 | 65.2 | 0 | 0 | 109.9 | L104 F108 Q134 V249 T250 F252 I387 | L104-M106 HydrophobicContact CD1-CG 4.23Å; L104-M106 HydrophobicContact CD2-CG 4.38Å; L104-M106 HydrophobicContact CD2-SD 4.17Å; L104-M106 HydrophobicContact CG-CG 4.16Å; M106-F108 HydrophobicContact CB-CE2 4.02Å; M106-F108 HydrophobicContact CB-CZ 3.94Å; M106-F108 HydrophobicContact CE-CE1 4.07Å; M106-F108 HydrophobicContact CE-CZ 3.93Å; M106-F108 HydrophobicContact SD-CZ 4.25Å; M106-Q134 HydrophobicContact CE-CB 4.18Å; M106-V249 WeakPolarHBondContact O-CA 3.3Å; M106-T250 PolarHBondContact N-O 2.97Å; M106-T250 PolarHBondContact O-N 2.93Å; M106-T250 PolarHBondContact O-OG1 3.37Å; M106-F252 HydrophobicContact CB-CE2 3.89Å; M106-F252 HydrophobicContact CG-CD2 4.26Å; M106-F252 HydrophobicContact CG-CE2 3.69Å; M106-F252 HydrophobicContact SD-CE2 3.8Å; M106-F252 HydrophobicContact SD-CZ 4.18Å; M106-I387 HydrophobicContact CE-CD1 3.86Å; M106-I387 HydrophobicContact CE-CG1 4.17Å; M106-I387 HydrophobicContact CG-CG1 4.2Å; M106-I387 HydrophobicContact CG-CG2 4.36Å |
| 107 | S | 92.7 | Very high | 69.2 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 134.4 | 171.8 | 60.3 | 0 | 0 | 0 | 0 | 110.6 | V248 N385 V386 | S107-V248 CarbonylContact C-O 3.57Å; S107-V248 VanDerWaalsContact CA-O 3.3Å; S107-V248 WeakPolarHBondContact CA-O 3.4Å; S107-N385 WeakPolarHBondContact O-CB 3.31Å; S107-N385 PolarHBondContact O-OD1 2.8Å; S107-V386 PolarHBondContact N-O 2.93Å; S107-V386 VanDerWaalsContact OG-CB 3.3Å; S107-V386 WeakPolarHBondContact OG-CB 3.49Å; S107-V386 PolarHBondContact OG-N 3.29Å; S107-V386 PolarHBondContact OG-O 3.21Å |
| 108 | F | 89.8 | Confident | 69.2 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.8 | 179.7 | -58 | -79.2 | 0 | 0 | 0 | 109.6 | M106 F130 D131 L132 I135 F247 V248 T250 | M106-F108 HydrophobicContact CB-CE2 4.02Å; M106-F108 HydrophobicContact CB-CZ 3.94Å; M106-F108 HydrophobicContact CE-CE1 4.07Å; M106-F108 HydrophobicContact CE-CZ 3.93Å; M106-F108 HydrophobicContact SD-CZ 4.25Å; F108-F130 HydrophobicContact CB-CB 4.23Å; F108-F130 HydrophobicContact CB-CD1 3.95Å; F108-F130 HydrophobicContact CB-CG 4.48Å; F108-F130 WeakPolarHBondContact O-CD1 3.41Å; F108-F130 WeakPolarHBondContact O-CE1 3.03Å; F108-D131 VanDerWaalsContact CD1-O 3.23Å; F108-D131 WeakPolarHBondContact CD1-O 3.46Å; F108-L132 HydrophobicContact CB-CD2 4.44Å; F108-L132 HydrophobicContact CD1-CD2 3.84Å; F108-L132 HydrophobicContact CD2-CD2 3.49Å; F108-L132 VanDerWaalsContact CD2-CD2 3.49Å; F108-L132 HydrophobicContact CE1-CD2 3.87Å; F108-L132 HydrophobicContact CE2-CD2 3.49Å; F108-L132 VanDerWaalsContact CE2-CD2 3.49Å; F108-L132 HydrophobicContact CG-CD2 3.65Å; F108-L132 HydrophobicContact CZ-CD2 3.71Å; F108-I135 HydrophobicContact CZ-CD1 4.16Å; F108-I135 HydrophobicContact CZ-CG1 3.78Å; F108-F247 WeakPolarHBondContact O-CA 3.38Å; F108-F247 WeakPolarHBondContact O-CB 3.33Å; F108-V248 HydrophobicContact CB-CB 4.46Å; F108-V248 HydrophobicContact CD2-CG1 4.49Å; F108-V248 PolarHBondContact N-O 3.08Å; F108-V248 PolarHBondContact O-N 3.1Å; F108-T250 HydrophobicContact CD2-CG2 4.29Å; F108-T250 HydrophobicContact CE2-CG2 3.94Å; F108-T250 VanDerWaalsContact CE2-OG1 3.25Å; F108-T250 WeakPolarHBondContact CE2-OG1 3.38Å |
| 109 | V | 86.3 | Confident | 69.2 | Low | 68 Ų | 68 | 53.9 Ų | 53.9 | 41% | 0.412 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 146.2 | 177.8 | -65 | 0 | 0 | 0 | 0 | 110.6 | A73 M111 | A73-V109 HydrophobicContact CB-CG1 4.33Å; V109-M111 PolarHBondContact O-N 3.21Å |
| 110 | N | 84.1 | Confident | 69.1 | Low | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | trans | -64.6 | 122.8 | 177.2 | -176.5 | 32 | 0 | 0 | 0 | 110.8 | V112 R129 F130 Q238 P246 | N110-V112 PolarHBondContact ND2-O 2.96Å; N110-V112 PolarHBondContact OD1-N 3.2Å; N110-V112 PolarHBondContact OD1-O 3.47Å; N110-R129 PolarHBondContact OD1-N 2.7Å; N110-R129 PolarHBondContact OD1-O 3.12Å; N110-R129 VanDerWaalsContact OD1-O 3.11Å; N110-F130 HydrophobicContact CB-CE1 3.95Å; N110-F130 HydrophobicContact CB-CZ 4.18Å; N110-Q238 PolarHBondContact O-NE2 2.9Å; N110-P246 HydrophobicContact CB-CG 4.49Å | ||
| 111 | M | 69.5 | Low | 69.3 | Low | 78 Ų | 78 | 65.4 Ų | 65.4 | 38% | 0.384 | 33% | 0.329 | S | S | . | . | trans | -85.3 | -35.9 | 178.2 | -62.4 | -166.4 | -62.5 | 0 | 0 | 112.5 | V109 R129 D131 D213 | V109-M111 PolarHBondContact O-N 3.21Å; M111-R129 PolarHBondContact N-O 3.06Å; M111-D131 HydrophobicContact CE-CB 3.56Å; M111-D131 HydrophobicContact SD-CB 3.41Å; M111-D131 WeakPolarHBondContact SD-CB 3.03Å; M111-D213 HydrophobicContact CE-CB 4.37Å | ||
| 112 | V | 65.8 | Low | 69.3 | Low | 51 Ų | 51 | 64.4 Ų | 64.4 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 125.9 | -171.7 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | N110 R114 R129 | N110-V112 PolarHBondContact ND2-O 2.96Å; N110-V112 PolarHBondContact OD1-N 3.2Å; N110-V112 PolarHBondContact OD1-O 3.47Å; V112-R114 HydrophobicContact CG1-CG 3.84Å; V112-R129 HydrophobicContact CB-CB 4.03Å; V112-R129 HydrophobicContact CB-CG 4.16Å; V112-R129 HydrophobicContact CG2-CB 4.41Å; V112-R129 PolarHBondContact O-N 2.94Å |
| 113 | E | 58.7 | Low | 68.9 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 104.8 | 162.7 | -172.2 | 155.4 | 118.4 | 0 | 0 | 108.4 | K126 G237 Q238 | E113-K126 WeakPolarHBondContact OE1-CE 3.46Å; E113-K126 IonicContact OE1-NZ 2.91Å; E113-K126 PolarHBondContact OE1-NZ 3.37Å; E113-K126 WeakPolarHBondContact OE2-CE 3.03Å; E113-K126 IonicContact OE2-NZ 3.39Å; E113-G237 WeakPolarHBondContact OE1-CA 3.47Å; E113-G237 VanDerWaalsContact OE2-C 3.31Å; E113-G237 WeakPolarHBondContact OE2-CA 3.47Å; E113-Q238 HydrophobicContact CB-CB 3.93Å; E113-Q238 PolarHBondContact OE1-N 3.47Å; E113-Q238 VanDerWaalsContact OE1-N 3.1Å; E113-Q238 WeakPolarHBondContact OE2-CB 3.36Å; E113-Q238 PolarHBondContact OE2-N 3.38Å |
| 114 | R | 58.3 | Low | 68.8 | Low | 115 Ų | 115 | 68.1 Ų | 68.1 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 99.4 | 167 | -78.6 | -180 | -176.1 | 170.4 | 1.4 | 107.2 | V112 H116 E127 E171 | V112-R114 HydrophobicContact CG1-CG 3.84Å; R114-H116 PolarHBondContact O-N 2.94Å; R114-E127 HydrophobicContact CB-CB 4.49Å; R114-E127 PolarHBondContact N-O 3.1Å; R114-E127 PolarHBondContact O-N 3.44Å; R114-E171 IonicContact NH1-OE1 3.99Å; R114-E171 PolarHBondContact NH1-OE1 2.91Å |
| 115 | D | 54.5 | Low | 68.7 | Low | 53 Ų | 53 | 70.7 Ų | 70.7 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 99.5 | 163.8 | -65.8 | -31.5 | 0 | 0 | 0 | 106.7 | A117 K126 | D115-A117 PolarHBondContact O-N 3.26Å; D115-K126 WeakPolarHBondContact OD1-CG 2.99Å; D115-K126 IonicContact OD1-NZ 3.87Å; D115-K126 PolarHBondContact OD1-NZ 2.82Å; D115-K126 IonicContact OD2-NZ 3.47Å |
| 116 | H | 52.5 | Low | 68.6 | Low | 131 Ų | 131 | 71.2 Ų | 71.2 | 61% | 0.606 | 36% | 0.363 | S | S | * | . | trans | -74.8 | 19.6 | 173.9 | -111.7 | -145.3 | 0 | 0 | 0 | 112.8 | R114 L118 W125 | R114-H116 PolarHBondContact O-N 2.94Å; H116-L118 PolarHBondContact O-N 3.46Å; H116-W125 HydrophobicContact CB-CZ2 4.02Å; H116-W125 AromaticContact ND1-CZ2 3.86Å | ||
| 117 | A | 49.3 | Very low | 68.4 | Low | 46 Ų | 46 | 71.6 Ų | 71.6 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 5.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D115 | D115-A117 PolarHBondContact O-N 3.26Š|
| 118 | L | 47.5 | Very low | 68.3 | Low | 173 Ų | 173 | 71.6 Ų | 71.6 | 91% | 0.906 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.4 | -179.9 | -67.9 | 172.8 | 0 | 0 | 0 | 113.9 | H116 | H116-L118 PolarHBondContact O-N 3.46Š|
| 119 | G | 43.7 | Very low | 68.2 | Low | 38 Ų | 38 | 73.2 Ų | 73.2 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -111.4 | 143.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q121 | G119-Q121 PolarHBondContact O-N 2.88Š|
| 120 | H | 51.4 | Low | 68.3 | Low | 203 Ų | 203 | 70 Ų | 70 | 94% | 0.94 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -70.5 | 37.4 | 176.6 | -64.5 | 57.2 | 0 | 0 | 0 | 112.5 | ||
| 121 | Q | 55.5 | Low | 68.2 | Low | 162 Ų | 162 | 71.1 Ų | 71.1 | 76% | 0.757 | 36% | 0.357 | S | S | * | . | trans | -110 | 111.9 | -178.8 | -80.9 | -170.3 | -44.2 | 0 | 0 | 109.9 | G119 | G119-Q121 PolarHBondContact O-N 2.88Š| ||
| 122 | E | 62.2 | Low | 68.7 | Low | 149 Ų | 149 | 68 Ų | 68 | 70% | 0.696 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -67.6 | 148.1 | 156.3 | -70.3 | 179.8 | 161.8 | 0 | 0 | 109.4 | ||
| 123 | P | 69.4 | Low | 69.3 | Low | 58 Ų | 58 | 68.9 Ų | 68.9 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | S | Bend | cis | -80.7 | 155.3 | 2.6 | 31 | -33.9 | 0 | 0 | 0 | 113.7 | W125 Y219 | P123-W125 HydrophobicContact CG-CE3 4.26Å; P123-W125 HydrophobicContact CG-CZ3 4.23Å; P123-W125 WeakPolarHBondContact O-CZ3 2.96Å; P123-Y219 HydrophobicContact CB-CE1 4.37Å; P123-Y219 HydrophobicContact CG-CE1 4.21Å |
| 124 | H | 83.1 | Confident | 70.1 | Confident | 50 Ų | 50 | 71 Ų | 71 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 132.2 | 174.3 | -66.2 | -79 | 0 | 0 | 0 | 111.1 | S227 D229 | H124-S227 PolarHBondContact N-OG 3.42Å; H124-D229 HydrophobicContact CB-CB 4.46Å |
| 125 | W | 86.6 | Confident | 71 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 160.5 | 173.8 | 69.2 | 85.4 | 0 | 0 | 0 | 112.7 | H116 P123 L218 Y219 | H116-W125 HydrophobicContact CB-CZ2 4.02Å; H116-W125 AromaticContact ND1-CZ2 3.86Å; P123-W125 HydrophobicContact CG-CE3 4.26Å; P123-W125 HydrophobicContact CG-CZ3 4.23Å; P123-W125 WeakPolarHBondContact O-CZ3 2.96Å; W125-L218 VanDerWaalsContact CA-O 3.31Å; W125-L218 WeakPolarHBondContact CA-O 3.42Å; W125-L218 WeakPolarHBondContact CB-O 3.12Å; W125-Y219 HydrophobicContact CB-CD1 3.88Å; W125-Y219 HydrophobicContact CB-CD2 4.5Å; W125-Y219 HydrophobicContact CB-CE1 3.58Å; W125-Y219 HydrophobicContact CB-CE2 4.23Å; W125-Y219 HydrophobicContact CB-CG 4.34Å; W125-Y219 HydrophobicContact CD2-CE1 4.36Å; W125-Y219 HydrophobicContact CE3-CE1 4.04Å; W125-Y219 HydrophobicContact CG-CE1 4.22Å |
| 126 | K | 87.9 | Confident | 71.9 | Confident | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.057 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.6 | 175.1 | -167.2 | 167.8 | -176.2 | 97.7 | 0 | 110.4 | E113 D115 F128 R217 L218 P230 | E113-K126 WeakPolarHBondContact OE1-CE 3.46Å; E113-K126 IonicContact OE1-NZ 2.91Å; E113-K126 PolarHBondContact OE1-NZ 3.37Å; E113-K126 WeakPolarHBondContact OE2-CE 3.03Å; E113-K126 IonicContact OE2-NZ 3.39Å; D115-K126 WeakPolarHBondContact OD1-CG 2.99Å; D115-K126 IonicContact OD1-NZ 3.87Å; D115-K126 PolarHBondContact OD1-NZ 2.82Å; D115-K126 IonicContact OD2-NZ 3.47Å; K126-F128 HydrophobicContact CB-CE2 4.24Å; K126-F128 HydrophobicContact CB-CZ 4.29Å; K126-F128 HydrophobicContact CD-CE1 4.13Å; K126-F128 HydrophobicContact CD-CE2 4.32Å; K126-F128 HydrophobicContact CD-CZ 3.57Å; K126-F128 HydrophobicContact CG-CE1 4.16Å; K126-F128 HydrophobicContact CG-CE2 3.99Å; K126-F128 HydrophobicContact CG-CZ 3.64Å; K126-R217 WeakPolarHBondContact O-CA 3.45Å; K126-L218 PolarHBondContact N-O 2.81Å; K126-L218 PolarHBondContact O-N 2.73Å; K126-P230 HydrophobicContact CB-CB 4.2Å; K126-P230 HydrophobicContact CB-CG 4.01Å; K126-P230 HydrophobicContact CD-CB 4.31Å |
| 127 | E | 88.8 | Confident | 72.8 | Confident | 9 Ų | 9 | 67 Ų | 67 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | -179.6 | -169 | 176.1 | 127.6 | 0 | 0 | 111.7 | R114 R129 L216 R217 | R114-E127 HydrophobicContact CB-CB 4.49Å; R114-E127 PolarHBondContact N-O 3.1Å; R114-E127 PolarHBondContact O-N 3.44Å; E127-R129 IonicContact OE1-CZ 3.29Å; E127-R129 VanDerWaalsContact OE1-CZ 3.29Å; E127-R129 IonicContact OE1-NE 2.94Å; E127-R129 PolarHBondContact OE1-NE 3.39Å; E127-R129 IonicContact OE1-NH2 2.74Å; E127-R129 PolarHBondContact OE1-NH2 3.01Å; E127-L216 CarbonylContact C-O 3.56Å; E127-L216 VanDerWaalsContact CA-O 3.3Å; E127-L216 WeakPolarHBondContact CA-O 3.41Å; E127-R217 HydrophobicContact CB-CG 4.15Å; E127-R217 HydrophobicContact CG-CG 4.02Å; E127-R217 IonicContact OE2-CZ 3.45Å; E127-R217 IonicContact OE2-NE 2.91Å; E127-R217 PolarHBondContact OE2-NE 3.44Å; E127-R217 IonicContact OE2-NH2 3.09Å; E127-R217 PolarHBondContact OE2-NH2 3.13Å; E127-R217 VanDerWaalsContact OE2-NH2 3.09Å |
| 128 | F | 89.9 | Confident | 74 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.3 | 177.3 | -54.1 | -83.1 | 0 | 0 | 0 | 110.2 | K126 F130 F146 I148 G215 L216 L218 P246 | K126-F128 HydrophobicContact CB-CE2 4.24Å; K126-F128 HydrophobicContact CB-CZ 4.29Å; K126-F128 HydrophobicContact CD-CE1 4.13Å; K126-F128 HydrophobicContact CD-CE2 4.32Å; K126-F128 HydrophobicContact CD-CZ 3.57Å; K126-F128 HydrophobicContact CG-CE1 4.16Å; K126-F128 HydrophobicContact CG-CE2 3.99Å; K126-F128 HydrophobicContact CG-CZ 3.64Å; F128-F130 HydrophobicContact CB-CE2 3.61Å; F128-F130 HydrophobicContact CB-CZ 3.97Å; F128-F146 HydrophobicContact CB-CE2 4.27Å; F128-F146 HydrophobicContact CD1-CE2 4.32Å; F128-F146 HydrophobicContact CD1-CZ 4.26Å; F128-F146 AromaticContact CD2-CE2 3.95Å; F128-F146 HydrophobicContact CD2-CE2 3.95Å; F128-F146 AromaticContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CE1-CZ 4.25Å; F128-F146 HydrophobicContact CE2-CE1 4.4Å; F128-F146 HydrophobicContact CE2-CE2 4.36Å; F128-F146 AromaticContact CE2-CZ 3.64Å; F128-F146 HydrophobicContact CE2-CZ 3.64Å; F128-F146 AromaticContact CG-CE2 3.91Å; F128-F146 HydrophobicContact CG-CE2 3.91Å; F128-F146 AromaticContact CG-CZ 3.99Å; F128-F146 HydrophobicContact CG-CZ 3.99Å; F128-F146 AromaticContact CZ-CZ 3.92Å; F128-F146 HydrophobicContact CZ-CZ 3.92Å; F128-I148 HydrophobicContact CE1-CD1 4.41Å; F128-I148 HydrophobicContact CE2-CD1 4.47Å; F128-I148 HydrophobicContact CZ-CD1 3.71Å; F128-G215 WeakPolarHBondContact O-CA 3.29Å; F128-L216 HydrophobicContact CB-CB 4.38Å; F128-L216 PolarHBondContact N-O 2.99Å; F128-L216 PolarHBondContact O-N 3.33Å; F128-L218 HydrophobicContact CE2-CB 4.04Å; F128-L218 HydrophobicContact CE2-CD1 4.46Å; F128-P246 HydrophobicContact CD1-CG 4.03Å; F128-P246 HydrophobicContact CE1-CB 4.24Å; F128-P246 HydrophobicContact CE1-CG 3.7Å |
| 129 | R | 88.3 | Confident | 75.5 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.1 | 176.8 | -60.7 | -168.1 | 179.8 | -159.9 | -0.6 | 113.2 | N110 M111 V112 E127 E171 L214 | N110-R129 PolarHBondContact OD1-N 2.7Å; N110-R129 PolarHBondContact OD1-O 3.12Å; N110-R129 VanDerWaalsContact OD1-O 3.11Å; M111-R129 PolarHBondContact N-O 3.06Å; V112-R129 HydrophobicContact CB-CB 4.03Å; V112-R129 HydrophobicContact CB-CG 4.16Å; V112-R129 HydrophobicContact CG2-CB 4.41Å; V112-R129 PolarHBondContact O-N 2.94Å; E127-R129 IonicContact OE1-CZ 3.29Å; E127-R129 VanDerWaalsContact OE1-CZ 3.29Å; E127-R129 IonicContact OE1-NE 2.94Å; E127-R129 PolarHBondContact OE1-NE 3.39Å; E127-R129 IonicContact OE1-NH2 2.74Å; E127-R129 PolarHBondContact OE1-NH2 3.01Å; R129-E171 IonicContact CZ-OE1 3.06Å; R129-E171 IonicContact CZ-OE2 3.52Å; R129-E171 IonicContact NH1-OE1 3.06Å; R129-E171 IonicContact NH1-OE2 2.75Å; R129-E171 PolarHBondContact NH1-OE2 3.15Å; R129-E171 VanDerWaalsContact NH1-OE2 3.15Å; R129-E171 IonicContact NH2-OE1 2.73Å; R129-E171 PolarHBondContact NH2-OE1 3.03Å; R129-E171 IonicContact NH2-OE2 2.93Å; R129-E171 PolarHBondContact NH2-OE2 2.94Å; R129-L214 CarbonylContact C-O 3.56Å; R129-L214 VanDerWaalsContact CA-O 3.26Å; R129-L214 WeakPolarHBondContact CA-O 2.89Å |
| 130 | F | 87.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.7 | -178 | -56.1 | -85.7 | 0 | 0 | 0 | 111.3 | F108 N110 F128 L132 F146 D213 L214 L216 V248 | F108-F130 HydrophobicContact CB-CB 4.23Å; F108-F130 HydrophobicContact CB-CD1 3.95Å; F108-F130 HydrophobicContact CB-CG 4.48Å; F108-F130 WeakPolarHBondContact O-CD1 3.41Å; F108-F130 WeakPolarHBondContact O-CE1 3.03Å; N110-F130 HydrophobicContact CB-CE1 3.95Å; N110-F130 HydrophobicContact CB-CZ 4.18Å; F128-F130 HydrophobicContact CB-CE2 3.61Å; F128-F130 HydrophobicContact CB-CZ 3.97Å; F130-L132 HydrophobicContact CB-CD2 4.36Å; F130-L132 PolarHBondContact O-N 2.95Å; F130-F146 HydrophobicContact CE2-CD2 4.11Å; F130-F146 HydrophobicContact CE2-CE2 4.09Å; F130-F146 AromaticContact CZ-CD2 3.96Å; F130-F146 HydrophobicContact CZ-CD2 3.96Å; F130-F146 AromaticContact CZ-CE2 3.77Å; F130-F146 HydrophobicContact CZ-CE2 3.77Å; F130-D213 WeakPolarHBondContact O-CA 3.43Å; F130-L214 HydrophobicContact CB-CB 4.25Å; F130-L214 HydrophobicContact CB-CD2 4.48Å; F130-L214 HydrophobicContact CD2-CD2 4.07Å; F130-L214 HydrophobicContact CD2-CG 4.23Å; F130-L214 PolarHBondContact N-O 3.19Å; F130-L214 PolarHBondContact O-N 2.9Å; F130-L216 HydrophobicContact CD2-CD1 4.4Å; F130-L216 HydrophobicContact CE2-CD1 3.94Å; F130-L216 HydrophobicContact CE2-CG 4.46Å; F130-V248 HydrophobicContact CD1-CB 4.3Å; F130-V248 HydrophobicContact CD1-CG2 4.03Å; F130-V248 HydrophobicContact CD2-CG2 3.82Å; F130-V248 HydrophobicContact CE1-CB 4.32Å; F130-V248 HydrophobicContact CE1-CG2 3.83Å; F130-V248 HydrophobicContact CE2-CG2 3.62Å; F130-V248 HydrophobicContact CG-CG2 4.03Å; F130-V248 HydrophobicContact CZ-CG2 3.63Å |
| 131 | D | 83.3 | Confident | 79 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | trans | -82.2 | 108.2 | 173.7 | 174.9 | 9.6 | 0 | 0 | 0 | 109.5 | F108 M111 T133 | F108-D131 VanDerWaalsContact CD1-O 3.23Å; F108-D131 WeakPolarHBondContact CD1-O 3.46Å; M111-D131 HydrophobicContact CE-CB 3.56Å; M111-D131 HydrophobicContact SD-CB 3.41Å; M111-D131 WeakPolarHBondContact SD-CB 3.03Å; D131-T133 WeakPolarHBondContact OD1-CB 3.4Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.49Å; D131-T133 PolarHBondContact OD1-N 3.04Å; D131-T133 PolarHBondContact OD1-OG1 2.99Å; D131-T133 PolarHBondContact OD2-OG1 3.47Å | ||
| 132 | L | 79.1 | Confident | 80.5 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | trans | -100.1 | 8.7 | 179.1 | -58.6 | -174.7 | 0 | 0 | 0 | 112.9 | F108 F130 Q134 I135 W206 L214 | F108-L132 HydrophobicContact CB-CD2 4.44Å; F108-L132 HydrophobicContact CD1-CD2 3.84Å; F108-L132 HydrophobicContact CD2-CD2 3.49Å; F108-L132 VanDerWaalsContact CD2-CD2 3.49Å; F108-L132 HydrophobicContact CE1-CD2 3.87Å; F108-L132 HydrophobicContact CE2-CD2 3.49Å; F108-L132 VanDerWaalsContact CE2-CD2 3.49Å; F108-L132 HydrophobicContact CG-CD2 3.65Å; F108-L132 HydrophobicContact CZ-CD2 3.71Å; F130-L132 HydrophobicContact CB-CD2 4.36Å; F130-L132 PolarHBondContact O-N 2.95Å; L132-Q134 PolarHBondContact O-N 2.84Å; L132-Q134 VanDerWaalsContact O-N 3.11Å; L132-I135 HydrophobicContact CB-CD1 3.91Å; L132-I135 HydrophobicContact CD2-CD1 4.36Å; L132-I135 HydrophobicContact CG-CD1 4.5Å; L132-I135 WeakPolarHBondContact O-CG1 3.49Å; L132-I135 PolarHBondContact O-N 3.47Å; L132-W206 HydrophobicContact CD1-CB 4.3Å; L132-W206 HydrophobicContact CD1-CD2 3.45Å; L132-W206 VanDerWaalsContact CD1-CD2 3.45Å; L132-W206 HydrophobicContact CD1-CE3 3.44Å; L132-W206 VanDerWaalsContact CD1-CE3 3.44Å; L132-W206 HydrophobicContact CD1-CG 3.84Å; L132-W206 HydrophobicContact CD1-CZ3 4.02Å; L132-L214 HydrophobicContact CD1-CB 3.63Å; L132-L214 HydrophobicContact CD1-CD2 4.17Å; L132-L214 HydrophobicContact CG-CB 4.06Å | ||
| 133 | T | 77.7 | Confident | 81.9 | Confident | 68 Ų | 68 | 41 Ų | 41 | 42% | 0.417 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.7 | -178.4 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | D131 I135 | D131-T133 WeakPolarHBondContact OD1-CB 3.4Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.49Å; D131-T133 PolarHBondContact OD1-N 3.04Å; D131-T133 PolarHBondContact OD1-OG1 2.99Å; D131-T133 PolarHBondContact OD2-OG1 3.47Å; T133-I135 VanDerWaalsContact C-N 3.31Å; T133-I135 PolarHBondContact O-N 3.48Å |
| 134 | Q | 75.9 | Confident | 83 | Confident | 76 Ų | 76 | 38.2 Ų | 38.2 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.8 | -179.5 | -58.9 | -59.7 | -39.7 | 0 | 0 | 114.1 | M106 L132 P136 S383 | M106-Q134 HydrophobicContact CE-CB 4.18Å; L132-Q134 PolarHBondContact O-N 2.84Å; L132-Q134 VanDerWaalsContact O-N 3.11Å; Q134-P136 WeakPolarHBondContact O-CD 3.33Å; Q134-S383 PolarHBondContact NE2-OG 2.83Å |
| 135 | I | 77.5 | Confident | 83.6 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 121.4 | 179.7 | -63.5 | 174.6 | 0 | 0 | 0 | 109.8 | F108 L132 T133 F252 | F108-I135 HydrophobicContact CZ-CD1 4.16Å; F108-I135 HydrophobicContact CZ-CG1 3.78Å; L132-I135 HydrophobicContact CB-CD1 3.91Å; L132-I135 HydrophobicContact CD2-CD1 4.36Å; L132-I135 HydrophobicContact CG-CD1 4.5Å; L132-I135 WeakPolarHBondContact O-CG1 3.49Å; L132-I135 PolarHBondContact O-N 3.47Å; T133-I135 VanDerWaalsContact C-N 3.31Å; T133-I135 PolarHBondContact O-N 3.48Å; I135-F252 HydrophobicContact CD1-CE1 4.05Å; I135-F252 HydrophobicContact CD1-CZ 3.86Å; I135-F252 HydrophobicContact CG1-CE1 4.2Å; I135-F252 HydrophobicContact CG1-CZ 3.86Å; I135-F252 HydrophobicContact CG2-CD1 4.34Å; I135-F252 HydrophobicContact CG2-CE1 3.52Å; I135-F252 HydrophobicContact CG2-CZ 3.98Å |
| 136 | P | 74 | Confident | 84 | Confident | 59 Ų | 59 | 35.3 Ų | 35.3 | 38% | 0.383 | 21% | 0.207 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 151.2 | -178 | -20.5 | 32 | 0 | 0 | 0 | 114 | L104 Q134 E139 | L104-P136 HydrophobicContact CD2-CG 4.24Å; Q134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-E139 HydrophobicContact CB-CG 4.09Å; P136-E139 HydrophobicContact CG-CG 4.39Å |
| 137 | D | 71.6 | Confident | 84.4 | Confident | 132 Ų | 132 | 36.7 Ų | 36.7 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 135.4 | 169.5 | -72.9 | -46.3 | 0 | 0 | 0 | 112.1 | R210 | D137-R210 IonicContact OD1-CZ 2.73Å; D137-R210 IonicContact OD1-NH1 3.37Å; D137-R210 PolarHBondContact OD1-NH1 3Å; D137-R210 IonicContact OD1-NH2 3.15Å; D137-R210 PolarHBondContact OD1-NH2 2.9Å |
| 138 | G | 73.4 | Confident | 84.7 | Confident | 38 Ų | 38 | 36.3 Ų | 36.3 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 4.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S255 | G138-S255 WeakPolarHBondContact O-CB 3.3Å; G138-S255 PolarHBondContact O-N 3.12Å; G138-S255 PolarHBondContact O-OG 3.19Å |
| 139 | E | 79.3 | Confident | 85 | Confident | 26 Ų | 26 | 37.8 Ų | 37.8 | 12% | 0.121 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.1 | 169.5 | -64.2 | -68.5 | 173.7 | 0 | 0 | 109.6 | L104 P136 F252 R253 A254 | L104-E139 HydrophobicContact CD2-CG 3.86Å; P136-E139 HydrophobicContact CB-CG 4.09Å; P136-E139 HydrophobicContact CG-CG 4.39Å; E139-F252 HydrophobicContact CB-CB 4.17Å; E139-F252 HydrophobicContact CB-CD1 3.99Å; E139-F252 HydrophobicContact CB-CG 4.33Å; E139-R253 VanDerWaalsContact OE2-C 3.22Å; E139-A254 VanDerWaalsContact OE2-CA 3.29Å; E139-A254 WeakPolarHBondContact OE2-CA 3.43Å; E139-A254 PolarHBondContact OE2-N 3.28Å; E139-A254 VanDerWaalsContact OE2-N 3.12Å |
| 140 | A | 82.2 | Confident | 85.3 | Confident | 44 Ų | 44 | 36.4 Ų | 36.4 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T142 F252 R253 | A140-T142 PolarHBondContact O-N 3.19Å; A140-F252 VanDerWaalsContact O-CA 3.29Å; A140-F252 WeakPolarHBondContact O-CA 3.39Å; A140-R253 PolarHBondContact N-O 2.85Å; A140-R253 PolarHBondContact O-N 3.5Å |
| 141 | V | 86.3 | Confident | 85.7 | Confident | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.6 | 173.4 | -177 | 0 | 0 | 0 | 0 | 108.7 | F252 | V141-F252 HydrophobicContact CG2-CD1 3.91Å; V141-F252 HydrophobicContact CG2-CE1 3.51Å; V141-F252 HydrophobicContact CG2-CZ 4.42Å |
| 142 | T | 87.6 | Confident | 86.2 | Confident | 73 Ų | 73 | 38.8 Ų | 38.8 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -32.3 | 178.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | A140 F251 R253 | A140-T142 PolarHBondContact O-N 3.19Å; T142-F251 PolarHBondContact N-O 3.25Å; T142-F251 PolarHBondContact OG1-O 2.78Å; T142-R253 HydrophobicContact CG2-CB 3.63Å |
| 143 | A | 90.8 | Very high | 86.7 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 150.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | T200 T250 F251 | A143-T200 WeakPolarHBondContact CA-OG1 3.28Å; A143-T250 WeakPolarHBondContact O-CA 3.48Å; A143-F251 HydrophobicContact CB-CB 4.23Å; A143-F251 HydrophobicContact CB-CD2 3.89Å; A143-F251 HydrophobicContact CB-CG 4.4Å; A143-F251 PolarHBondContact N-O 3.44Å; A143-F251 PolarHBondContact O-N 2.89Å |
| 144 | A | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 130.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V199 T200 W206 V249 T250 | A144-V199 HydrophobicContact CB-CG2 3.81Å; A144-V199 WeakPolarHBondContact O-CG2 3.43Å; A144-V199 PolarHBondContact O-N 2.94Å; A144-T200 PolarHBondContact N-OG1 3.35Å; A144-T200 PolarHBondContact O-N 2.83Å; A144-T200 PolarHBondContact O-OG1 2.71Å; A144-W206 HydrophobicContact CB-CH2 4.16Å; A144-W206 HydrophobicContact CB-CZ3 4.17Å; A144-V249 CarbonylContact C-O 3.56Å; A144-V249 WeakPolarHBondContact CA-O 3.45Å; A144-T250 HydrophobicContact CB-CG2 3.83Å |
| 145 | E | 95 | Very high | 86.9 | Confident | 50 Ų | 50 | 44.3 Ų | 44.3 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.9 | -178.9 | -61.3 | 175.3 | -175.7 | 0 | 0 | 109.6 | R147 V196 L197 V248 V249 | E145-R147 IonicContact OE2-NE 2.82Å; E145-R147 IonicContact OE2-NH2 3.58Å; E145-V196 HydrophobicContact CB-CG1 3.93Å; E145-V196 HydrophobicContact CG-CG1 4.01Å; E145-V196 WeakPolarHBondContact OE2-CG1 3.34Å; E145-L197 WeakPolarHBondContact CA-O 3.37Å; E145-V248 CarbonylContact O-C 3.56Å; E145-V248 WeakPolarHBondContact O-CA 3.19Å; E145-V249 HydrophobicContact CB-CG1 3.8Å; E145-V249 PolarHBondContact N-O 2.89Å; E145-V249 PolarHBondContact O-N 2.81Å |
| 146 | F | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.1 | 167.1 | 172.8 | -93.1 | 0 | 0 | 0 | 109.1 | F128 F130 I148 M165 L197 V199 L216 L218 P246 V248 | F128-F146 HydrophobicContact CB-CE2 4.27Å; F128-F146 HydrophobicContact CD1-CE2 4.32Å; F128-F146 HydrophobicContact CD1-CZ 4.26Å; F128-F146 AromaticContact CD2-CE2 3.95Å; F128-F146 HydrophobicContact CD2-CE2 3.95Å; F128-F146 AromaticContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CD2-CZ 3.68Å; F128-F146 HydrophobicContact CE1-CZ 4.25Å; F128-F146 HydrophobicContact CE2-CE1 4.4Å; F128-F146 HydrophobicContact CE2-CE2 4.36Å; F128-F146 AromaticContact CE2-CZ 3.64Å; F128-F146 HydrophobicContact CE2-CZ 3.64Å; F128-F146 AromaticContact CG-CE2 3.91Å; F128-F146 HydrophobicContact CG-CE2 3.91Å; F128-F146 AromaticContact CG-CZ 3.99Å; F128-F146 HydrophobicContact CG-CZ 3.99Å; F128-F146 AromaticContact CZ-CZ 3.92Å; F128-F146 HydrophobicContact CZ-CZ 3.92Å; F130-F146 HydrophobicContact CE2-CD2 4.11Å; F130-F146 HydrophobicContact CE2-CE2 4.09Å; F130-F146 AromaticContact CZ-CD2 3.96Å; F130-F146 HydrophobicContact CZ-CD2 3.96Å; F130-F146 AromaticContact CZ-CE2 3.77Å; F130-F146 HydrophobicContact CZ-CE2 3.77Å; F146-I148 HydrophobicContact CD1-CG2 4.43Å; F146-I148 HydrophobicContact CE1-CB 3.67Å; F146-I148 HydrophobicContact CE1-CD1 4.39Å; F146-I148 HydrophobicContact CE1-CG2 3.76Å; F146-I148 HydrophobicContact CZ-CB 4.09Å; F146-I148 HydrophobicContact CZ-CD1 4.36Å; F146-M165 HydrophobicContact CD1-CE 3.4Å; F146-M165 HydrophobicContact CE1-CE 3.51Å; F146-M165 HydrophobicContact CG-CE 3.93Å; F146-M165 HydrophobicContact CZ-CE 4.15Å; F146-L197 HydrophobicContact CB-CB 4.44Å; F146-L197 HydrophobicContact CD1-CB 4.37Å; F146-L197 HydrophobicContact CD1-CD1 3.88Å; F146-L197 HydrophobicContact CE1-CD1 4.27Å; F146-L197 PolarHBondContact N-O 2.8Å; F146-L197 PolarHBondContact O-N 3.49Å; F146-V199 HydrophobicContact CB-CG1 3.74Å; F146-V199 HydrophobicContact CB-CG2 4.18Å; F146-L216 HydrophobicContact CB-CD1 4.12Å; F146-L216 HydrophobicContact CD2-CD1 3.64Å; F146-L216 HydrophobicContact CE2-CD1 4.34Å; F146-L216 HydrophobicContact CG-CD1 4.05Å; F146-L218 HydrophobicContact CE1-CD1 4.33Å; F146-P246 HydrophobicContact CE2-CB 4.19Å; F146-P246 HydrophobicContact CZ-CB 4.02Å; F146-V248 HydrophobicContact CB-CG2 4.27Å; F146-V248 HydrophobicContact CD2-CG2 3.82Å |
| 147 | R | 95.8 | Very high | 87.2 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | -176.7 | -69.1 | -179.3 | 153.4 | -127.5 | -5.4 | 110.5 | E145 W194 L195 V196 P246 F247 | E145-R147 IonicContact OE2-NE 2.82Å; E145-R147 IonicContact OE2-NH2 3.58Å; R147-W194 HydrophobicContact CB-CE3 4.11Å; R147-W194 HydrophobicContact CB-CZ3 4.32Å; R147-L195 WeakPolarHBondContact CA-O 3.27Å; R147-V196 HydrophobicContact CG-CG1 4.42Å; R147-V196 HydrophobicContact CG-CG2 4.32Å; R147-P246 WeakPolarHBondContact O-CA 3.45Å; R147-P246 WeakPolarHBondContact O-CB 3.39Å; R147-F247 HydrophobicContact CB-CD1 4.3Å; R147-F247 HydrophobicContact CB-CE1 3.95Å; R147-F247 HydrophobicContact CB-CE2 4.32Å; R147-F247 HydrophobicContact CB-CZ 3.98Å; R147-F247 VanDerWaalsContact CD-CZ 3.45Å; R147-F247 HydrophobicContact CG-CE2 4.47Å; R147-F247 HydrophobicContact CG-CZ 4.32Å; R147-F247 PolarHBondContact N-O 2.67Å; R147-F247 PolarHBondContact O-N 3.4Å; R147-F247 VanDerWaalsContact O-N 3.08Å |
| 148 | I | 95.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.7 | 176.4 | -172.8 | 162.8 | 0 | 0 | 0 | 110.1 | F128 F146 L195 L218 L235 L236 P246 | F128-I148 HydrophobicContact CE1-CD1 4.41Å; F128-I148 HydrophobicContact CE2-CD1 4.47Å; F128-I148 HydrophobicContact CZ-CD1 3.71Å; F146-I148 HydrophobicContact CD1-CG2 4.43Å; F146-I148 HydrophobicContact CE1-CB 3.67Å; F146-I148 HydrophobicContact CE1-CD1 4.39Å; F146-I148 HydrophobicContact CE1-CG2 3.76Å; F146-I148 HydrophobicContact CZ-CB 4.09Å; F146-I148 HydrophobicContact CZ-CD1 4.36Å; I148-L195 HydrophobicContact CG2-CB 3.93Å; I148-L195 HydrophobicContact CG2-CD2 4.13Å; I148-L195 HydrophobicContact CG2-CG 4.48Å; I148-L195 PolarHBondContact N-O 2.99Å; I148-L195 VanDerWaalsContact N-O 3.09Å; I148-L195 PolarHBondContact O-N 3.11Å; I148-L218 HydrophobicContact CD1-CD1 4.46Å; I148-L235 HydrophobicContact CD1-CB 3.9Å; I148-L235 HydrophobicContact CG1-CB 4.45Å; I148-L235 HydrophobicContact CG2-CD2 4.25Å; I148-L236 WeakPolarHBondContact CD1-O 3.25Å; I148-L236 VanDerWaalsContact CG1-O 3.3Å; I148-L236 WeakPolarHBondContact CG1-O 3.37Å; I148-P246 HydrophobicContact CB-CB 4.29Å; I148-P246 HydrophobicContact CG1-CB 4.26Å |
| 149 | Y | 95.8 | Very high | 88.6 | Confident | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.122 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.7 | -179.8 | -161.8 | -91.3 | 0 | 0 | 0 | 110.6 | V151 E192 W194 L236 R244 | Y149-V151 HydrophobicContact CD1-CG1 3.99Å; Y149-V151 HydrophobicContact CE1-CG1 3.87Å; Y149-E192 HydrophobicContact CE1-CG 4.14Å; Y149-E192 PolarHBondContact OH-OE1 2.79Å; Y149-W194 AromaticContact CD2-CD2 3.73Å; Y149-W194 HydrophobicContact CD2-CD2 3.73Å; Y149-W194 AromaticContact CD2-CE2 3.59Å; Y149-W194 HydrophobicContact CD2-CE3 4.23Å; Y149-W194 HydrophobicContact CD2-CG 4.03Å; Y149-W194 HydrophobicContact CD2-CH2 4.43Å; Y149-W194 AromaticContact CD2-CZ2 3.97Å; Y149-W194 HydrophobicContact CD2-CZ2 3.97Å; Y149-W194 AromaticContact CD2-NE1 3.79Å; Y149-W194 HydrophobicContact CE2-CG 4.5Å; Y149-W194 AromaticContact CE2-NE1 3.98Å; Y149-L236 HydrophobicContact CD1-CD1 3.71Å; Y149-L236 HydrophobicContact CD1-CG 4.4Å; Y149-L236 HydrophobicContact CG-CD1 4.37Å; Y149-L236 WeakPolarHBondContact O-CB 3.48Å; Y149-L236 PolarHBondContact O-N 2.9Å; Y149-R244 HydrophobicContact CD1-CB 4.36Å; Y149-R244 HydrophobicContact CD1-CG 4.2Å; Y149-R244 HydrophobicContact CD2-CG 4.31Å; Y149-R244 HydrophobicContact CE1-CG 4.45Å; Y149-R244 HydrophobicContact CG-CB 4.07Å; Y149-R244 HydrophobicContact CG-CG 4.1Å |
| 150 | K | 95.1 | Very high | 89.3 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.7 | 174.9 | 174.9 | 73.6 | 168.9 | 81.2 | 0 | 109.1 | S153 L187 A189 D191 E192 G193 A233 G234 L235 | K150-S153 PolarHBondContact NZ-OG 3.04Å; K150-L187 HydrophobicContact CD-CD1 4.04Å; K150-L187 HydrophobicContact CG-CD1 4.05Å; K150-A189 PolarHBondContact NZ-O 3.3Å; K150-D191 VanDerWaalsContact CG-O 3.29Å; K150-D191 WeakPolarHBondContact CG-O 3.48Å; K150-E192 WeakPolarHBondContact O-CA 3.33Å; K150-E192 WeakPolarHBondContact O-CG 3.49Å; K150-G193 PolarHBondContact N-O 3.45Å; K150-G193 PolarHBondContact O-N 2.91Å; K150-A233 VanDerWaalsContact CD-O 3.25Å; K150-A233 WeakPolarHBondContact CD-O 3.35Å; K150-A233 WeakPolarHBondContact CE-O 3.49Å; K150-A233 PolarHBondContact NZ-O 3.16Å; K150-G234 CarbonylContact C-O 3.56Å; K150-G234 WeakPolarHBondContact CA-O 3.43Å; K150-L235 HydrophobicContact CB-CD2 4.17Å; K150-L235 HydrophobicContact CD-CD2 3.81Å; K150-L235 HydrophobicContact CD-CG 4.38Å |
| 151 | V | 94.8 | Very high | 89.9 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 21% | 0.212 | 26% | 0.26 | C | S | . | . | trans | -107.5 | 160 | 163.6 | -65.4 | 0 | 0 | 0 | 0 | 109.5 | Y149 S153 G234 L236 | Y149-V151 HydrophobicContact CD1-CG1 3.99Å; Y149-V151 HydrophobicContact CE1-CG1 3.87Å; V151-S153 PolarHBondContact O-N 2.8Å; V151-G234 WeakPolarHBondContact CG2-O 3.44Å; V151-G234 PolarHBondContact N-O 2.8Å; V151-L236 HydrophobicContact CG1-CD1 3.95Å; V151-L236 HydrophobicContact CG1-CD2 4.46Å; V151-L236 HydrophobicContact CG1-CG 4.28Å; V151-L236 HydrophobicContact CG2-CD2 4.06Å; V151-L236 HydrophobicContact CG2-CG 4.49Å | ||
| 152 | P | 94.1 | Very high | 90.4 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | trans | -54.5 | 134.4 | 178.4 | -26 | 36.3 | 0 | 0 | 0 | 111.9 | L157 E192 | P152-L157 HydrophobicContact CB-CD2 4.02Å; P152-E192 HydrophobicContact CG-CB 4.29Å | ||
| 153 | S | 90.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | trans | -67.6 | 140.5 | -178.1 | -53.1 | 0 | 0 | 0 | 0 | 110.7 | K150 V151 H155 L157 A189 A233 | K150-S153 PolarHBondContact NZ-OG 3.04Å; V151-S153 PolarHBondContact O-N 2.8Å; S153-H155 PolarHBondContact O-N 3.05Å; S153-L157 WeakPolarHBondContact O-CD2 3.45Å; S153-A189 PolarHBondContact N-O 3.13Å; S153-A189 PolarHBondContact OG-O 3.16Å; S153-A189 VanDerWaalsContact OG-O 3.06Å; S153-A233 PolarHBondContact OG-O 3.39Å | ||
| 154 | I | 79 | Confident | 91.1 | Very high | 116 Ų | 116 | 48.2 Ų | 48.2 | 60% | 0.595 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -65.7 | -37 | -171.7 | -54.8 | 174.7 | 0 | 0 | 0 | 112.1 | ||
| 155 | H | 79 | Confident | 91.3 | Very high | 155 Ų | 155 | 48.2 Ų | 48.2 | 72% | 0.718 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -125.9 | -4.3 | -171.1 | -60.6 | -60.3 | 0 | 0 | 0 | 115.3 | S153 | S153-H155 PolarHBondContact O-N 3.05Š|
| 156 | L | 78.8 | Confident | 91.2 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | trans | -117 | 14.8 | -167 | -64.6 | 172.5 | 0 | 0 | 0 | 114 | N158 R159 L161 A189 V228 | L156-N158 PolarHBondContact O-N 2.8Å; L156-R159 WeakPolarHBondContact O-CB 3.43Å; L156-R159 PolarHBondContact O-N 3.43Å; L156-L161 HydrophobicContact CD1-CD2 4.32Å; L156-A189 VanDerWaalsContact C-CB 3.47Å; L156-A189 HydrophobicContact CB-CB 3.97Å; L156-A189 WeakPolarHBondContact O-CB 3.15Å; L156-V228 HydrophobicContact CD1-CG1 3.64Å; L156-V228 HydrophobicContact CD1-CG2 4.1Å | ||
| 157 | L | 78.4 | Confident | 91.1 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 48% | 0.482 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -35.3 | -164.5 | -66.4 | 169.8 | 0 | 0 | 0 | 116.4 | P152 S153 G190 | P152-L157 HydrophobicContact CB-CD2 4.02Å; S153-L157 WeakPolarHBondContact O-CD2 3.45Å; L157-G190 PolarHBondContact O-N 2.93Å |
| 158 | N | 85.1 | Confident | 90.7 | Very high | 170 Ų | 170 | 47.4 Ų | 47.4 | 91% | 0.909 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.5 | -177.9 | -65.9 | -19.3 | 0 | 0 | 0 | 114.6 | L156 | L156-N158 PolarHBondContact O-N 2.8Š|
| 159 | R | 89.8 | Confident | 90.2 | Very high | 111 Ų | 111 | 49.5 Ų | 49.5 | 42% | 0.419 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -95 | 152 | 179.3 | -70.9 | -157.4 | 175 | -162.8 | 2.5 | 112.1 | L156 A189 D224 | L156-R159 WeakPolarHBondContact O-CB 3.43Å; L156-R159 PolarHBondContact O-N 3.43Å; R159-A189 VanDerWaalsContact O-CB 3.31Å; R159-A189 WeakPolarHBondContact O-CB 3.47Å; R159-A189 PolarHBondContact O-N 3.47Å; R159-D224 IonicContact CZ-OD2 3.34Å; R159-D224 IonicContact NH1-OD2 2.74Å; R159-D224 PolarHBondContact NH1-OD2 2.84Å; R159-D224 IonicContact NH2-OD2 3.65Å |
| 160 | T | 94.1 | Very high | 89.2 | Confident | 39 Ų | 39 | 53 Ų | 53 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.6 | 167.2 | -47.6 | 0 | 0 | 0 | 0 | 109.3 | T186 E223 | T160-T186 HydrophobicContact CG2-CG2 3.32Å; T160-E223 PolarHBondContact O-N 3.39Å; T160-E223 PolarHBondContact OG1-OE2 3.1Å |
| 161 | L | 95.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.4 | 176.5 | -59 | 177.8 | 0 | 0 | 0 | 109.8 | L156 T186 L187 A189 V220 E221 T222 A233 | L156-L161 HydrophobicContact CD1-CD2 4.32Å; L161-T186 WeakPolarHBondContact O-CA 3.31Å; L161-L187 PolarHBondContact N-O 2.99Å; L161-L187 PolarHBondContact O-N 3.33Å; L161-A189 HydrophobicContact CD1-CB 3.86Å; L161-A189 HydrophobicContact CG-CB 4.06Å; L161-V220 HydrophobicContact CB-CG1 4.16Å; L161-V220 HydrophobicContact CD1-CG1 4.36Å; L161-V220 HydrophobicContact CD2-CG1 4.2Å; L161-V220 HydrophobicContact CG-CG1 4.48Å; L161-E221 CarbonylContact C-O 3.53Å; L161-E221 WeakPolarHBondContact CA-O 3.47Å; L161-T222 HydrophobicContact CD2-CG2 4.35Å; L161-A233 HydrophobicContact CD1-CB 4.05Å |
| 162 | H | 96.5 | Very high | 86.6 | Confident | 50 Ų | 50 | 59 Ų | 59 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.3 | 171.8 | -62.7 | -59.1 | 0 | 0 | 0 | 108.4 | L184 Q185 T186 V220 E221 | H162-L184 HydrophobicContact CB-CD1 3.97Å; H162-Q185 WeakPolarHBondContact CA-O 3.42Å; H162-T186 PolarHBondContact ND1-OG1 3.31Å; H162-V220 CarbonylContact O-C 3.56Å; H162-V220 WeakPolarHBondContact O-CA 3.25Å; H162-E221 HydrophobicContact CB-CB 4.48Å; H162-E221 PolarHBondContact N-O 3.02Å; H162-E221 PolarHBondContact O-N 3.41Å |
| 163 | V | 96.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.1 | 180 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | L184 Q185 L187 L195 L197 L218 Y219 V220 L235 | V163-L184 WeakPolarHBondContact O-CA 3.4Å; V163-Q185 PolarHBondContact N-O 3.38Å; V163-Q185 PolarHBondContact O-N 3Å; V163-L187 HydrophobicContact CB-CD2 4.4Å; V163-L187 HydrophobicContact CG2-CD2 3.63Å; V163-L195 HydrophobicContact CB-CD2 4.17Å; V163-L195 HydrophobicContact CG1-CD2 3.89Å; V163-L195 HydrophobicContact CG2-CD2 4.26Å; V163-L197 HydrophobicContact CG1-CD1 4.27Å; V163-L218 HydrophobicContact CG1-CD1 3.76Å; V163-L218 HydrophobicContact CG1-CD2 4Å; V163-L218 HydrophobicContact CG1-CG 3.8Å; V163-Y219 WeakPolarHBondContact CA-O 3.07Å; V163-V220 HydrophobicContact CG2-CG1 4.43Å; V163-V220 HydrophobicContact CG2-CG2 4.24Å; V163-L235 HydrophobicContact CG1-CD1 4.35Å; V163-L235 HydrophobicContact CG2-CD1 4.4Å |
| 164 | S | 96.8 | Very high | 83.3 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.7 | -177.3 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | L184 L218 Y219 | S164-L184 WeakPolarHBondContact OG-CD1 3.38Å; S164-L218 WeakPolarHBondContact O-CA 3.44Å; S164-Y219 PolarHBondContact N-O 3.28Å; S164-Y219 PolarHBondContact O-N 2.86Å |
| 165 | M | 96.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.8 | -179.1 | 179.7 | 59.7 | 72.1 | 0 | 0 | 111.1 | F146 L182 D183 L197 V199 L216 L218 | F146-M165 HydrophobicContact CD1-CE 3.4Å; F146-M165 HydrophobicContact CE1-CE 3.51Å; F146-M165 HydrophobicContact CG-CE 3.93Å; F146-M165 HydrophobicContact CZ-CE 4.15Å; M165-L182 HydrophobicContact CG-CB 4.24Å; M165-L182 HydrophobicContact CG-CD1 4.11Å; M165-L182 WeakPolarHBondContact O-CB 3.45Å; M165-L182 PolarHBondContact O-N 2.99Å; M165-D183 PolarHBondContact N-O 3.19Å; M165-D183 PolarHBondContact O-N 2.86Å; M165-L197 HydrophobicContact CB-CD1 4.3Å; M165-L197 HydrophobicContact CB-CD2 4.28Å; M165-L197 HydrophobicContact CE-CD1 3.67Å; M165-V199 HydrophobicContact CG-CG1 3.99Å; M165-L216 HydrophobicContact SD-CB 3.76Å; M165-L216 HydrophobicContact SD-CD1 4.23Å; M165-L216 HydrophobicContact SD-CD2 4.16Å; M165-L216 HydrophobicContact SD-CG 4.27Å; M165-L218 HydrophobicContact CE-CB 4.12Å; M165-L218 HydrophobicContact CE-CD1 3.99Å; M165-L218 HydrophobicContact CE-CG 4.44Å |
| 166 | F | 93.9 | Very high | 82.2 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 19% | 0.193 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.4 | -179.7 | -59.5 | -98.7 | 0 | 0 | 0 | 111.7 | L179 F180 F181 L216 R217 Y219 | F166-L179 HydrophobicContact CB-CB 4.13Å; F166-L179 HydrophobicContact CB-CD1 4.46Å; F166-L179 HydrophobicContact CB-CD2 4.5Å; F166-L179 HydrophobicContact CD1-CB 4.05Å; F166-L179 HydrophobicContact CG-CB 4.34Å; F166-L179 HydrophobicContact CG-CD1 4.43Å; F166-F180 CarbonylContact C-O 3.55Å; F166-F180 VanDerWaalsContact CA-O 3.23Å; F166-F180 WeakPolarHBondContact CA-O 3.42Å; F166-F181 HydrophobicContact CD1-CB 3.96Å; F166-F181 HydrophobicContact CD1-CD2 4.3Å; F166-F181 HydrophobicContact CE1-CB 3.83Å; F166-F181 AromaticContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CG 4.29Å; F166-F181 AromaticContact CZ-CD2 3.92Å; F166-F181 HydrophobicContact CZ-CD2 3.92Å; F166-L216 CarbonylContact O-C 3.58Å; F166-L216 WeakPolarHBondContact O-CA 3.37Å; F166-R217 PolarHBondContact N-O 3.18Å; F166-R217 PolarHBondContact O-N 3.47Å; F166-Y219 AromaticContact CD2-CD2 3.53Å; F166-Y219 HydrophobicContact CD2-CD2 3.53Å; F166-Y219 AromaticContact CD2-CE2 3.78Å; F166-Y219 HydrophobicContact CD2-CE2 3.78Å; F166-Y219 AromaticContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CE2 4.05Å; F166-Y219 HydrophobicContact CE2-CG 4.4Å |
| 167 | Q | 92.1 | Very high | 82.3 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 5% | 0.051 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.5 | 165.3 | -179.1 | 177.2 | 21 | 0 | 0 | 110.3 | V169 L179 F180 L182 A202 W206 L214 | Q167-V169 PolarHBondContact O-N 3.32Å; Q167-L179 WeakPolarHBondContact O-CA 3.39Å; Q167-F180 HydrophobicContact CB-CB 4.3Å; Q167-F180 PolarHBondContact N-O 3.1Å; Q167-F180 PolarHBondContact O-N 2.77Å; Q167-L182 HydrophobicContact CB-CD1 4Å; Q167-L182 HydrophobicContact CB-CD2 4.23Å; Q167-L182 HydrophobicContact CB-CG 4.23Å; Q167-A202 HydrophobicContact CB-CB 4.28Å; Q167-A202 HydrophobicContact CG-CB 4.25Å; Q167-W206 VanDerWaalsContact NE2-NE1 3.11Å; Q167-L214 HydrophobicContact CG-CD1 4.44Å |
| 168 | V | 88.6 | Confident | 82.7 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 13% | 0.127 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 106.4 | 169.5 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | L179 G215 R217 | V168-L179 HydrophobicContact CG2-CD2 4.15Å; V168-G215 PolarHBondContact N-O 3.32Å; V168-R217 HydrophobicContact CG2-CB 4.38Å; V168-R217 HydrophobicContact CG2-CG 3.61Å |
| 169 | V | 84.1 | Confident | 82.9 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -40.5 | -175.2 | -179 | 0 | 0 | 0 | 0 | 111.6 | Q167 D178 F180 | Q167-V169 PolarHBondContact O-N 3.32Å; V169-D178 HydrophobicContact CB-CB 4.3Å; V169-D178 PolarHBondContact N-O 3.08Å; V169-F180 HydrophobicContact CG2-CB 3.76Å |
| 170 | Q | 75.2 | Confident | 83 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 116.1 | 179.3 | -172.4 | 163.5 | 10.6 | 0 | 0 | 110.5 | Q172 S177 D178 | Q170-Q172 HydrophobicContact CG-CG 4.2Å; Q170-Q172 PolarHBondContact O-N 3.33Å; Q170-S177 WeakPolarHBondContact O-CA 3.31Å; Q170-S177 WeakPolarHBondContact O-CB 3.35Å; Q170-D178 HydrophobicContact CB-CB 4.36Å; Q170-D178 PolarHBondContact O-N 2.83Å |
| 171 | E | 68.5 | Low | 83 | Confident | 102 Ų | 102 | 68.8 Ų | 68.8 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | trans | -77.9 | 112.7 | 172.2 | -167.3 | 171.9 | -168.6 | 0 | 0 | 108.2 | R114 R129 | R114-E171 IonicContact NH1-OE1 3.99Å; R114-E171 PolarHBondContact NH1-OE1 2.91Å; R129-E171 IonicContact CZ-OE1 3.06Å; R129-E171 IonicContact CZ-OE2 3.52Å; R129-E171 IonicContact NH1-OE1 3.06Å; R129-E171 IonicContact NH1-OE2 2.75Å; R129-E171 PolarHBondContact NH1-OE2 3.15Å; R129-E171 VanDerWaalsContact NH1-OE2 3.15Å; R129-E171 IonicContact NH2-OE1 2.73Å; R129-E171 PolarHBondContact NH2-OE1 3.03Å; R129-E171 IonicContact NH2-OE2 2.93Å; R129-E171 PolarHBondContact NH2-OE2 2.94Å | ||
| 172 | Q | 66.2 | Low | 83.1 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | trans | -105.9 | 128.4 | 172.9 | -61.5 | -164.4 | 20.6 | 0 | 0 | 108.5 | Q170 N174 R175 | Q170-Q172 HydrophobicContact CG-CG 4.2Å; Q170-Q172 PolarHBondContact O-N 3.33Å; Q172-N174 VanDerWaalsContact C-N 3.29Å; Q172-N174 PolarHBondContact O-N 3.27Å; Q172-R175 HydrophobicContact CB-CB 4.16Å | ||
| 173 | S | 57.7 | Low | 83.1 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 85% | 0.846 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -70.9 | -23.4 | -175.4 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 174 | N | 57.9 | Low | 83.1 | Confident | 153 Ų | 153 | 72.9 Ų | 72.9 | 82% | 0.818 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -122.5 | 7.1 | -171.9 | -77.1 | 12.6 | 0 | 0 | 0 | 113.7 | Q172 | Q172-N174 VanDerWaalsContact C-N 3.29Å; Q172-N174 PolarHBondContact O-N 3.27Å |
| 175 | R | 66.5 | Low | 83.1 | Confident | 197 Ų | 197 | 74.8 Ų | 74.8 | 74% | 0.743 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -144.4 | 165.3 | -178 | -70.3 | -171.4 | 174.2 | -177.9 | -1.6 | 111 | Q172 S177 | Q172-R175 HydrophobicContact CB-CB 4.16Å; R175-S177 PolarHBondContact O-N 3.12Å |
| 176 | E | 69.3 | Low | 83.1 | Confident | 178 Ų | 178 | 78.8 Ų | 78.8 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 136 | 166.5 | -76.4 | -176.2 | 167.8 | 0 | 0 | 109.8 | ||
| 177 | S | 80.9 | Confident | 83.1 | Confident | 16 Ų | 16 | 77.7 Ų | 77.7 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 146.1 | 180 | -45.2 | 0 | 0 | 0 | 0 | 109.7 | Q170 R175 L179 R217 | Q170-S177 WeakPolarHBondContact O-CA 3.31Å; Q170-S177 WeakPolarHBondContact O-CB 3.35Å; R175-S177 PolarHBondContact O-N 3.12Å; S177-L179 PolarHBondContact O-N 3.39Å; S177-R217 VanDerWaalsContact CB-NH1 3.34Å; S177-R217 PolarHBondContact OG-NH1 2.95Å; S177-R217 PolarHBondContact OG-NH2 3.47Å |
| 178 | D | 85.6 | Confident | 83.2 | Confident | 77 Ų | 77 | 85.7 Ų | 85.7 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 119.4 | 176.9 | -66.8 | -35.7 | 0 | 0 | 0 | 109.9 | V169 Q170 | V169-D178 HydrophobicContact CB-CB 4.3Å; V169-D178 PolarHBondContact N-O 3.08Å; Q170-D178 HydrophobicContact CB-CB 4.36Å; Q170-D178 PolarHBondContact O-N 2.83Å |
| 179 | L | 90.3 | Very high | 83.4 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140 | -178.8 | -58.3 | -175.8 | 0 | 0 | 0 | 111 | F166 Q167 V168 S177 Y219 | F166-L179 HydrophobicContact CB-CB 4.13Å; F166-L179 HydrophobicContact CB-CD1 4.46Å; F166-L179 HydrophobicContact CB-CD2 4.5Å; F166-L179 HydrophobicContact CD1-CB 4.05Å; F166-L179 HydrophobicContact CG-CB 4.34Å; F166-L179 HydrophobicContact CG-CD1 4.43Å; Q167-L179 WeakPolarHBondContact O-CA 3.39Å; V168-L179 HydrophobicContact CG2-CD2 4.15Å; S177-L179 PolarHBondContact O-N 3.39Å; L179-Y219 HydrophobicContact CD1-CE2 3.98Å; L179-Y219 WeakPolarHBondContact CD1-OH 3.36Å |
| 180 | F | 91.6 | Very high | 83.8 | Confident | 77 Ų | 77 | 84.1 Ų | 84.1 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.4 | 171.4 | 178.1 | -98.2 | 0 | 0 | 0 | 109.1 | F166 Q167 V169 L182 A201 | F166-F180 CarbonylContact C-O 3.55Å; F166-F180 VanDerWaalsContact CA-O 3.23Å; F166-F180 WeakPolarHBondContact CA-O 3.42Å; Q167-F180 HydrophobicContact CB-CB 4.3Å; Q167-F180 PolarHBondContact N-O 3.1Å; Q167-F180 PolarHBondContact O-N 2.77Å; V169-F180 HydrophobicContact CG2-CB 3.76Å; F180-L182 HydrophobicContact CD1-CD2 3.67Å; F180-L182 HydrophobicContact CE1-CD2 3.87Å; F180-A201 HydrophobicContact CE1-CB 4.2Å |
| 181 | F | 94.5 | Very high | 84.7 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 46% | 0.461 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 136 | -179.6 | 176.5 | -98.5 | 0 | 0 | 0 | 111.2 | F166 D183 L184 | F166-F181 HydrophobicContact CD1-CB 3.96Å; F166-F181 HydrophobicContact CD1-CD2 4.3Å; F166-F181 HydrophobicContact CE1-CB 3.83Å; F166-F181 AromaticContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CD2 3.74Å; F166-F181 HydrophobicContact CE1-CG 4.29Å; F166-F181 AromaticContact CZ-CD2 3.92Å; F166-F181 HydrophobicContact CZ-CD2 3.92Å; F181-D183 WeakPolarHBondContact CE2-O 3.11Å; F181-D183 VanDerWaalsContact CZ-C 3.48Å; F181-L184 HydrophobicContact CE2-CB 4.03Å; F181-L184 HydrophobicContact CZ-CB 3.74Å |
| 182 | L | 95.3 | Very high | 85.9 | Confident | 21 Ų | 21 | 83.1 Ų | 83.1 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -54.9 | 179.9 | -61.5 | 178.9 | 0 | 0 | 0 | 112 | M165 Q167 F180 V199 A201 A202 L216 | M165-L182 HydrophobicContact CG-CB 4.24Å; M165-L182 HydrophobicContact CG-CD1 4.11Å; M165-L182 WeakPolarHBondContact O-CB 3.45Å; M165-L182 PolarHBondContact O-N 2.99Å; Q167-L182 HydrophobicContact CB-CD1 4Å; Q167-L182 HydrophobicContact CB-CD2 4.23Å; Q167-L182 HydrophobicContact CB-CG 4.23Å; F180-L182 HydrophobicContact CD1-CD2 3.67Å; F180-L182 HydrophobicContact CE1-CD2 3.87Å; L182-V199 HydrophobicContact CD1-CB 4.01Å; L182-V199 HydrophobicContact CD1-CG1 3.82Å; L182-A201 HydrophobicContact CD2-CB 4.12Å; L182-A202 HydrophobicContact CD1-CB 3.97Å; L182-A202 HydrophobicContact CD2-CB 3.78Å; L182-L216 HydrophobicContact CD1-CD2 3.61Å |
| 183 | D | 96.9 | Very high | 87.3 | Confident | 37 Ų | 37 | 81.1 Ų | 81.1 | 20% | 0.198 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 157.6 | -172.5 | -166.9 | 20.4 | 0 | 0 | 0 | 112 | M165 F181 L197 D198 | M165-D183 PolarHBondContact N-O 3.19Å; M165-D183 PolarHBondContact O-N 2.86Å; F181-D183 WeakPolarHBondContact CE2-O 3.11Å; F181-D183 VanDerWaalsContact CZ-C 3.48Å; D183-L197 HydrophobicContact CB-CD2 4.15Å; D183-L197 VanDerWaalsContact OD2-CA 3.26Å; D183-L197 WeakPolarHBondContact OD2-CA 3.48Å; D183-L197 WeakPolarHBondContact OD2-CD2 3.3Å; D183-D198 WeakPolarHBondContact CB-O 3.32Å; D183-D198 PolarHBondContact OD2-N 3.48Å |
| 184 | L | 96.9 | Very high | 89.1 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 42% | 0.419 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 124.5 | 176 | 167.4 | 66.7 | 0 | 0 | 0 | 109.2 | H162 V163 S164 F181 | H162-L184 HydrophobicContact CB-CD1 3.97Å; V163-L184 WeakPolarHBondContact O-CA 3.4Å; S164-L184 WeakPolarHBondContact OG-CD1 3.38Å; F181-L184 HydrophobicContact CE2-CB 4.03Å; F181-L184 HydrophobicContact CZ-CB 3.74Å |
| 185 | Q | 96.4 | Very high | 90.9 | Very high | 54 Ų | 54 | 73.3 Ų | 73.3 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.2 | 172 | -85.6 | -176.9 | 85 | 0 | 0 | 112.6 | H162 V163 L195 V196 L197 | H162-Q185 WeakPolarHBondContact CA-O 3.42Å; V163-Q185 PolarHBondContact N-O 3.38Å; V163-Q185 PolarHBondContact O-N 3Å; Q185-L195 HydrophobicContact CB-CD1 4.09Å; Q185-L195 HydrophobicContact CG-CD1 4.45Å; Q185-L195 VanDerWaalsContact OE1-CD1 3.23Å; Q185-V196 PolarHBondContact NE2-O 2.85Å; Q185-L197 HydrophobicContact CB-CD2 4.22Å; Q185-L197 HydrophobicContact CG-CD2 4.19Å; Q185-L197 VanDerWaalsContact NE2-CD2 3.33Å |
| 186 | T | 95.9 | Very high | 92.4 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.6 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 109 | T160 L161 H162 | T160-T186 HydrophobicContact CG2-CG2 3.32Å; L161-T186 WeakPolarHBondContact O-CA 3.31Å; H162-T186 PolarHBondContact ND1-OG1 3.31Å |
| 187 | L | 94.9 | Very high | 93.7 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 164.8 | -179 | 61.2 | 138 | 0 | 0 | 0 | 111.6 | K150 L161 V163 L195 | K150-L187 HydrophobicContact CD-CD1 4.04Å; K150-L187 HydrophobicContact CG-CD1 4.05Å; L161-L187 PolarHBondContact N-O 2.99Å; L161-L187 PolarHBondContact O-N 3.33Å; V163-L187 HydrophobicContact CB-CD2 4.4Å; V163-L187 HydrophobicContact CG2-CD2 3.63Å; L187-L195 HydrophobicContact CD2-CD1 3.99Å; L187-L195 HydrophobicContact CD2-CD2 4.34Å |
| 188 | R | 94.2 | Very high | 94.3 | Very high | 179 Ų | 179 | 60.6 Ų | 60.6 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 142.5 | 171.8 | -62 | -179 | 172.8 | 178.2 | -1.5 | 109.5 | G190 D191 | R188-G190 PolarHBondContact O-N 3.09Å; R188-D191 WeakPolarHBondContact CB-OD2 3.45Å; R188-D191 PolarHBondContact N-OD2 2.89Å; R188-D191 WeakPolarHBondContact O-CB 3.46Å; R188-D191 PolarHBondContact O-N 3.16Å |
| 189 | A | 92.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K150 S153 L156 R159 L161 D191 | K150-A189 PolarHBondContact NZ-O 3.3Å; S153-A189 PolarHBondContact N-O 3.13Å; S153-A189 PolarHBondContact OG-O 3.16Å; S153-A189 VanDerWaalsContact OG-O 3.06Å; L156-A189 VanDerWaalsContact C-CB 3.47Å; L156-A189 HydrophobicContact CB-CB 3.97Å; L156-A189 WeakPolarHBondContact O-CB 3.15Å; R159-A189 VanDerWaalsContact O-CB 3.31Å; R159-A189 WeakPolarHBondContact O-CB 3.47Å; R159-A189 PolarHBondContact O-N 3.47Å; L161-A189 HydrophobicContact CD1-CB 3.86Å; L161-A189 HydrophobicContact CG-CB 4.06Å; A189-D191 VanDerWaalsContact C-N 3.3Å; A189-D191 PolarHBondContact O-N 3.28Å |
| 190 | G | 92.8 | Very high | 94.8 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L157 R188 | L157-G190 PolarHBondContact O-N 2.93Å; R188-G190 PolarHBondContact O-N 3.09Å |
| 191 | D | 93.1 | Very high | 94.7 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | trans | -69.3 | 146.6 | -177.2 | -62.8 | -22.5 | 0 | 0 | 0 | 111.4 | K150 R188 A189 | K150-D191 VanDerWaalsContact CG-O 3.29Å; K150-D191 WeakPolarHBondContact CG-O 3.48Å; R188-D191 WeakPolarHBondContact CB-OD2 3.45Å; R188-D191 PolarHBondContact N-OD2 2.89Å; R188-D191 WeakPolarHBondContact O-CB 3.46Å; R188-D191 PolarHBondContact O-N 3.16Å; A189-D191 VanDerWaalsContact C-N 3.3Å; A189-D191 PolarHBondContact O-N 3.28Å | ||
| 192 | E | 95.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 49.1 Ų | 49.1 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | trans | -125.2 | 138.5 | 173.1 | -177.6 | 173.7 | -170.3 | 0 | 0 | 109.5 | Y149 K150 P152 R244 | Y149-E192 HydrophobicContact CE1-CG 4.14Å; Y149-E192 PolarHBondContact OH-OE1 2.79Å; K150-E192 WeakPolarHBondContact O-CA 3.33Å; K150-E192 WeakPolarHBondContact O-CG 3.49Å; P152-E192 HydrophobicContact CG-CB 4.29Å; E192-R244 IonicContact OE1-NH1 3.93Å | ||
| 193 | G | 95.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.4 | -173.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K150 | K150-G193 PolarHBondContact N-O 3.45Å; K150-G193 PolarHBondContact O-N 2.91Å |
| 194 | W | 95.8 | Very high | 92.5 | Very high | 95 Ų | 95 | 52 Ų | 52 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120 | 174.6 | -74.6 | 104.8 | 0 | 0 | 0 | 110.6 | R147 Y149 F247 | R147-W194 HydrophobicContact CB-CE3 4.11Å; R147-W194 HydrophobicContact CB-CZ3 4.32Å; Y149-W194 AromaticContact CD2-CD2 3.73Å; Y149-W194 HydrophobicContact CD2-CD2 3.73Å; Y149-W194 AromaticContact CD2-CE2 3.59Å; Y149-W194 HydrophobicContact CD2-CE3 4.23Å; Y149-W194 HydrophobicContact CD2-CG 4.03Å; Y149-W194 HydrophobicContact CD2-CH2 4.43Å; Y149-W194 AromaticContact CD2-CZ2 3.97Å; Y149-W194 HydrophobicContact CD2-CZ2 3.97Å; Y149-W194 AromaticContact CD2-NE1 3.79Å; Y149-W194 HydrophobicContact CE2-CG 4.5Å; Y149-W194 AromaticContact CE2-NE1 3.98Å; W194-F247 HydrophobicContact CH2-CD1 4.37Å; W194-F247 AromaticContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CZ2-CE1 4.45Å; W194-F247 HydrophobicContact CZ3-CD1 4.36Å; W194-F247 AromaticContact CZ3-CE1 3.9Å; W194-F247 HydrophobicContact CZ3-CE1 3.9Å |
| 195 | L | 96.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.7 | 166.8 | -171.4 | 69.1 | 0 | 0 | 0 | 108.9 | R147 I148 V163 Q185 L187 L197 L235 | R147-L195 WeakPolarHBondContact CA-O 3.27Å; I148-L195 HydrophobicContact CG2-CB 3.93Å; I148-L195 HydrophobicContact CG2-CD2 4.13Å; I148-L195 HydrophobicContact CG2-CG 4.48Å; I148-L195 PolarHBondContact N-O 2.99Å; I148-L195 VanDerWaalsContact N-O 3.09Å; I148-L195 PolarHBondContact O-N 3.11Å; V163-L195 HydrophobicContact CB-CD2 4.17Å; V163-L195 HydrophobicContact CG1-CD2 3.89Å; V163-L195 HydrophobicContact CG2-CD2 4.26Å; Q185-L195 HydrophobicContact CB-CD1 4.09Å; Q185-L195 HydrophobicContact CG-CD1 4.45Å; Q185-L195 VanDerWaalsContact OE1-CD1 3.23Å; L187-L195 HydrophobicContact CD2-CD1 3.99Å; L187-L195 HydrophobicContact CD2-CD2 4.34Å; L195-L197 HydrophobicContact CD2-CD1 4.12Å; L195-L197 HydrophobicContact CD2-CG 4.41Å; L195-L197 HydrophobicContact CG-CG 4.42Å; L195-L235 HydrophobicContact CD2-CD2 4.32Å |
| 196 | V | 96.4 | Very high | 89.9 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 30% | 0.297 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 101.9 | -174.3 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | E145 R147 Q185 | E145-V196 HydrophobicContact CB-CG1 3.93Å; E145-V196 HydrophobicContact CG-CG1 4.01Å; E145-V196 WeakPolarHBondContact OE2-CG1 3.34Å; R147-V196 HydrophobicContact CG-CG1 4.42Å; R147-V196 HydrophobicContact CG-CG2 4.32Å; Q185-V196 PolarHBondContact NE2-O 2.85Å |
| 197 | L | 96.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.4 | -177.8 | -69.4 | 152.6 | 0 | 0 | 0 | 110.4 | E145 F146 V163 M165 D183 Q185 L195 V199 L218 | E145-L197 WeakPolarHBondContact CA-O 3.37Å; F146-L197 HydrophobicContact CB-CB 4.44Å; F146-L197 HydrophobicContact CD1-CB 4.37Å; F146-L197 HydrophobicContact CD1-CD1 3.88Å; F146-L197 HydrophobicContact CE1-CD1 4.27Å; F146-L197 PolarHBondContact N-O 2.8Å; F146-L197 PolarHBondContact O-N 3.49Å; V163-L197 HydrophobicContact CG1-CD1 4.27Å; M165-L197 HydrophobicContact CB-CD1 4.3Å; M165-L197 HydrophobicContact CB-CD2 4.28Å; M165-L197 HydrophobicContact CE-CD1 3.67Å; D183-L197 HydrophobicContact CB-CD2 4.15Å; D183-L197 VanDerWaalsContact OD2-CA 3.26Å; D183-L197 WeakPolarHBondContact OD2-CA 3.48Å; D183-L197 WeakPolarHBondContact OD2-CD2 3.3Å; Q185-L197 HydrophobicContact CB-CD2 4.22Å; Q185-L197 HydrophobicContact CG-CD2 4.19Å; Q185-L197 VanDerWaalsContact NE2-CD2 3.33Å; L195-L197 HydrophobicContact CD2-CD1 4.12Å; L195-L197 HydrophobicContact CD2-CG 4.41Å; L195-L197 HydrophobicContact CG-CG 4.42Å; L197-V199 PolarHBondContact O-N 3.21Å; L197-L218 HydrophobicContact CD1-CD1 4.15Å |
| 198 | D | 94.6 | Very high | 87 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.1 | 177.5 | -168 | -15.6 | 0 | 0 | 0 | 110.2 | D183 T200 | D183-D198 WeakPolarHBondContact CB-O 3.32Å; D183-D198 PolarHBondContact OD2-N 3.48Å; D198-T200 WeakPolarHBondContact OD1-CB 3.33Å; D198-T200 PolarHBondContact OD1-N 3.31Å; D198-T200 PolarHBondContact OD1-OG1 2.87Å |
| 199 | V | 94.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -117.8 | 18.3 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | A144 F146 M165 L182 L197 A201 A202 W206 L216 | A144-V199 HydrophobicContact CB-CG2 3.81Å; A144-V199 WeakPolarHBondContact O-CG2 3.43Å; A144-V199 PolarHBondContact O-N 2.94Å; F146-V199 HydrophobicContact CB-CG1 3.74Å; F146-V199 HydrophobicContact CB-CG2 4.18Å; M165-V199 HydrophobicContact CG-CG1 3.99Å; L182-V199 HydrophobicContact CD1-CB 4.01Å; L182-V199 HydrophobicContact CD1-CG1 3.82Å; L197-V199 PolarHBondContact O-N 3.21Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 3.48Å; V199-A202 WeakPolarHBondContact O-CB 3.44Å; V199-A202 PolarHBondContact O-N 2.98Å; V199-A202 VanDerWaalsContact O-N 3.16Å; V199-W206 HydrophobicContact CG2-CH2 4.36Å; V199-L216 HydrophobicContact CG1-CD1 4.1Å; V199-L216 HydrophobicContact CG1-CD2 4.31Å | ||
| 200 | T | 91.5 | Very high | 84.2 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -59.1 | -40.7 | -178.4 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | A143 A144 D198 A202 S203 | A143-T200 WeakPolarHBondContact CA-OG1 3.28Å; A144-T200 PolarHBondContact N-OG1 3.35Å; A144-T200 PolarHBondContact O-N 2.83Å; A144-T200 PolarHBondContact O-OG1 2.71Å; D198-T200 WeakPolarHBondContact OD1-CB 3.33Å; D198-T200 PolarHBondContact OD1-N 3.31Å; D198-T200 PolarHBondContact OD1-OG1 2.87Å; T200-A202 PolarHBondContact O-N 2.77Å; T200-A202 VanDerWaalsContact O-N 3.14Å; T200-S203 WeakPolarHBondContact O-CB 3.48Å; T200-S203 PolarHBondContact O-N 3.29Å; T200-S203 PolarHBondContact O-OG 2.8Å |
| 201 | A | 90 | Very high | 82.8 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -61.9 | -23.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F180 L182 V199 S203 | F180-A201 HydrophobicContact CE1-CB 4.2Å; L182-A201 HydrophobicContact CD2-CB 4.12Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 3.48Å; A201-S203 PolarHBondContact O-N 3.16Å |
| 202 | A | 87.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -70.9 | -21.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q167 L182 V199 T200 D204 R205 W206 | Q167-A202 HydrophobicContact CB-CB 4.28Å; Q167-A202 HydrophobicContact CG-CB 4.25Å; L182-A202 HydrophobicContact CD1-CB 3.97Å; L182-A202 HydrophobicContact CD2-CB 3.78Å; V199-A202 WeakPolarHBondContact O-CB 3.44Å; V199-A202 PolarHBondContact O-N 2.98Å; V199-A202 VanDerWaalsContact O-N 3.16Å; T200-A202 PolarHBondContact O-N 2.77Å; T200-A202 VanDerWaalsContact O-N 3.14Å; A202-D204 VanDerWaalsContact C-N 3.35Å; A202-D204 PolarHBondContact O-N 2.92Å; A202-R205 PolarHBondContact O-N 3.47Å; A202-W206 VanDerWaalsContact CB-CE2 3.49Å; A202-W206 HydrophobicContact CB-CH2 4.02Å; A202-W206 HydrophobicContact CB-CZ2 3.12Å; A202-W206 VanDerWaalsContact O-CE2 3.26Å; A202-W206 PolarHBondContact O-N 3.35Å; A202-W206 PolarHBondContact O-NE1 3.47Å |
| 203 | S | 79.9 | Confident | 81 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -30.7 | -177.9 | 73.2 | 0 | 0 | 0 | 0 | 115.1 | T200 A201 R205 W206 L207 | T200-S203 WeakPolarHBondContact O-CB 3.48Å; T200-S203 PolarHBondContact O-N 3.29Å; T200-S203 PolarHBondContact O-OG 2.8Å; A201-S203 PolarHBondContact O-N 3.16Å; S203-R205 PolarHBondContact O-N 3.41Å; S203-W206 VanDerWaalsContact CA-CE3 3.46Å; S203-W206 PolarHBondContact O-N 3.5Å; S203-W206 VanDerWaalsContact O-N 3.16Å; S203-L207 PolarHBondContact O-N 2.93Å |
| 204 | D | 72.2 | Confident | 80.5 | Confident | 115 Ų | 115 | 66.9 Ų | 66.9 | 62% | 0.615 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -56.9 | -35.9 | 176.7 | -71 | -19.4 | 0 | 0 | 0 | 111.9 | A202 | A202-D204 VanDerWaalsContact C-N 3.35Å; A202-D204 PolarHBondContact O-N 2.92Å |
| 205 | R | 69.6 | Low | 80.2 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 46% | 0.457 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -87.6 | -26.7 | 180 | -71.9 | 176 | -161 | -102.5 | -3.9 | 113.2 | A202 S203 L208 K209 | A202-R205 PolarHBondContact O-N 3.47Å; S203-R205 PolarHBondContact O-N 3.41Å; R205-L208 PolarHBondContact O-N 3.49Å; R205-K209 PolarHBondContact O-N 3.17Å |
| 206 | W | 70.3 | Confident | 80 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 177.4 | -52.2 | -20.7 | 0 | 0 | 0 | 111.1 | L132 A144 Q167 V199 A202 S203 L208 K209 R210 L214 T250 | L132-W206 HydrophobicContact CD1-CB 4.3Å; L132-W206 HydrophobicContact CD1-CD2 3.45Å; L132-W206 VanDerWaalsContact CD1-CD2 3.45Å; L132-W206 HydrophobicContact CD1-CE3 3.44Å; L132-W206 VanDerWaalsContact CD1-CE3 3.44Å; L132-W206 HydrophobicContact CD1-CG 3.84Å; L132-W206 HydrophobicContact CD1-CZ3 4.02Å; A144-W206 HydrophobicContact CB-CH2 4.16Å; A144-W206 HydrophobicContact CB-CZ3 4.17Å; Q167-W206 VanDerWaalsContact NE2-NE1 3.11Å; V199-W206 HydrophobicContact CG2-CH2 4.36Å; A202-W206 VanDerWaalsContact CB-CE2 3.49Å; A202-W206 HydrophobicContact CB-CH2 4.02Å; A202-W206 HydrophobicContact CB-CZ2 3.12Å; A202-W206 VanDerWaalsContact O-CE2 3.26Å; A202-W206 PolarHBondContact O-N 3.35Å; A202-W206 PolarHBondContact O-NE1 3.47Å; S203-W206 VanDerWaalsContact CA-CE3 3.46Å; S203-W206 PolarHBondContact O-N 3.5Å; S203-W206 VanDerWaalsContact O-N 3.16Å; W206-L208 PolarHBondContact O-N 3.45Å; W206-K209 CarbonylContact O-C 3.47Å; W206-K209 VanDerWaalsContact O-C 3.23Å; W206-K209 PolarHBondContact O-N 3.37Å; W206-K209 VanDerWaalsContact O-N 3.09Å; W206-R210 PolarHBondContact O-N 3.33Å; W206-L214 HydrophobicContact CH2-CD2 3.58Å; W206-L214 HydrophobicContact CZ2-CB 4.46Å; W206-L214 HydrophobicContact CZ2-CD1 3.43Å; W206-L214 VanDerWaalsContact CZ2-CD1 3.43Å; W206-L214 HydrophobicContact CZ2-CD2 3.19Å; W206-L214 HydrophobicContact CZ2-CG 3.8Å; W206-L214 HydrophobicContact CZ3-CD2 4.43Å; W206-L214 VanDerWaalsContact NE1-CD1 3.32Å; W206-T250 HydrophobicContact CZ3-CG2 4.29Å |
| 207 | L | 63.8 | Low | 79.8 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.7 | -31.1 | 178.1 | -67.8 | 172.9 | 0 | 0 | 0 | 112.4 | S203 | S203-L207 PolarHBondContact O-N 2.93Å |
| 208 | L | 65.9 | Low | 79.7 | Confident | 144 Ų | 144 | 60.7 Ų | 60.7 | 75% | 0.754 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -79.5 | -25.3 | 176.5 | -66.1 | 170.4 | 0 | 0 | 0 | 113.3 | R205 W206 | R205-L208 PolarHBondContact O-N 3.49Å; W206-L208 PolarHBondContact O-N 3.45Å |
| 209 | K | 63.5 | Low | 79.6 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | trans | -131.3 | 65.2 | -175.8 | -68.2 | -177 | -179.1 | 174.4 | 0 | 111.4 | R205 W206 H211 K212 | R205-K209 PolarHBondContact O-N 3.17Å; W206-K209 CarbonylContact O-C 3.47Å; W206-K209 VanDerWaalsContact O-C 3.23Å; W206-K209 PolarHBondContact O-N 3.37Å; W206-K209 VanDerWaalsContact O-N 3.09Å; K209-H211 PolarHBondContact O-N 3.39Å; K209-K212 PolarHBondContact O-N 3.45Å | ||
| 210 | R | 63.4 | Low | 79.6 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -1.7 | -174.4 | -57.5 | -156.8 | -160.4 | -173.7 | 28.7 | 117 | D137 W206 | D137-R210 IonicContact OD1-CZ 2.73Å; D137-R210 IonicContact OD1-NH1 3.37Å; D137-R210 PolarHBondContact OD1-NH1 3Å; D137-R210 IonicContact OD1-NH2 3.15Å; D137-R210 PolarHBondContact OD1-NH2 2.9Å; W206-R210 PolarHBondContact O-N 3.33Å |
| 211 | H | 64.4 | Low | 79.7 | Confident | 177 Ų | 177 | 60.6 Ų | 60.6 | 82% | 0.819 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 11.5 | -179.9 | -62.6 | -62.2 | 0 | 0 | 0 | 113.6 | K209 | K209-H211 PolarHBondContact O-N 3.39Š|
| 212 | K | 71.2 | Confident | 79.9 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 58% | 0.578 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -118.5 | 138.2 | 179.1 | -67.5 | -162.7 | 176 | -160.7 | 0 | 111.1 | K209 | K209-K212 PolarHBondContact O-N 3.45Š|
| 213 | D | 78.8 | Confident | 80 | Confident | 77 Ų | 77 | 65 Ų | 65 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | trans | -60.4 | 145.8 | 169.3 | -59.4 | -23.3 | 0 | 0 | 0 | 110.2 | M111 F130 G215 | M111-D213 HydrophobicContact CE-CB 4.37Å; F130-D213 WeakPolarHBondContact O-CA 3.43Å; D213-G215 PolarHBondContact O-N 3.36Å | ||
| 214 | L | 84.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 115.7 | 167.9 | 164 | 57.9 | 0 | 0 | 0 | 108.9 | R129 F130 L132 Q167 W206 L216 | R129-L214 CarbonylContact C-O 3.56Å; R129-L214 VanDerWaalsContact CA-O 3.26Å; R129-L214 WeakPolarHBondContact CA-O 2.89Å; F130-L214 HydrophobicContact CB-CB 4.25Å; F130-L214 HydrophobicContact CB-CD2 4.48Å; F130-L214 HydrophobicContact CD2-CD2 4.07Å; F130-L214 HydrophobicContact CD2-CG 4.23Å; F130-L214 PolarHBondContact N-O 3.19Å; F130-L214 PolarHBondContact O-N 2.9Å; L132-L214 HydrophobicContact CD1-CB 3.63Å; L132-L214 HydrophobicContact CD1-CD2 4.17Å; L132-L214 HydrophobicContact CG-CB 4.06Å; Q167-L214 HydrophobicContact CG-CD1 4.44Å; W206-L214 HydrophobicContact CH2-CD2 3.58Å; W206-L214 HydrophobicContact CZ2-CB 4.46Å; W206-L214 HydrophobicContact CZ2-CD1 3.43Å; W206-L214 VanDerWaalsContact CZ2-CD1 3.43Å; W206-L214 HydrophobicContact CZ2-CD2 3.19Å; W206-L214 HydrophobicContact CZ2-CG 3.8Å; W206-L214 HydrophobicContact CZ3-CD2 4.43Å; W206-L214 VanDerWaalsContact NE1-CD1 3.32Å; L214-L216 HydrophobicContact CD1-CD2 3.67Å; L214-L216 HydrophobicContact CD1-CG 3.94Å; L214-L216 HydrophobicContact CD2-CD1 4.21Å; L214-L216 HydrophobicContact CD2-CD2 4.42Å; L214-L216 HydrophobicContact CD2-CG 4.15Å; L214-L216 HydrophobicContact CG-CD2 4.23Å; L214-L216 HydrophobicContact CG-CG 3.97Å |
| 215 | G | 89.3 | Confident | 81.2 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F128 V168 D213 | F128-G215 WeakPolarHBondContact O-CA 3.29Å; V168-G215 PolarHBondContact N-O 3.32Å; D213-G215 PolarHBondContact O-N 3.36Å |
| 216 | L | 91.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.9 | 174.3 | -68.2 | -177.6 | 0 | 0 | 0 | 110 | E127 F128 F130 F146 M165 F166 L182 V199 L214 V248 | E127-L216 CarbonylContact C-O 3.56Å; E127-L216 VanDerWaalsContact CA-O 3.3Å; E127-L216 WeakPolarHBondContact CA-O 3.41Å; F128-L216 HydrophobicContact CB-CB 4.38Å; F128-L216 PolarHBondContact N-O 2.99Å; F128-L216 PolarHBondContact O-N 3.33Å; F130-L216 HydrophobicContact CD2-CD1 4.4Å; F130-L216 HydrophobicContact CE2-CD1 3.94Å; F130-L216 HydrophobicContact CE2-CG 4.46Å; F146-L216 HydrophobicContact CB-CD1 4.12Å; F146-L216 HydrophobicContact CD2-CD1 3.64Å; F146-L216 HydrophobicContact CE2-CD1 4.34Å; F146-L216 HydrophobicContact CG-CD1 4.05Å; M165-L216 HydrophobicContact SD-CB 3.76Å; M165-L216 HydrophobicContact SD-CD1 4.23Å; M165-L216 HydrophobicContact SD-CD2 4.16Å; M165-L216 HydrophobicContact SD-CG 4.27Å; F166-L216 CarbonylContact O-C 3.58Å; F166-L216 WeakPolarHBondContact O-CA 3.37Å; L182-L216 HydrophobicContact CD1-CD2 3.61Å; V199-L216 HydrophobicContact CG1-CD1 4.1Å; V199-L216 HydrophobicContact CG1-CD2 4.31Å; L214-L216 HydrophobicContact CD1-CD2 3.67Å; L214-L216 HydrophobicContact CD1-CG 3.94Å; L214-L216 HydrophobicContact CD2-CD1 4.21Å; L214-L216 HydrophobicContact CD2-CD2 4.42Å; L214-L216 HydrophobicContact CD2-CG 4.15Å; L214-L216 HydrophobicContact CG-CD2 4.23Å; L214-L216 HydrophobicContact CG-CG 3.97Å; L216-V248 HydrophobicContact CD1-CG2 4.23Å |
| 217 | R | 92.1 | Very high | 83.2 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 8% | 0.075 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.8 | 173.5 | -78.6 | -175.5 | -167.6 | 165.1 | 7.9 | 111.1 | K126 E127 F166 V168 S177 Y219 | K126-R217 WeakPolarHBondContact O-CA 3.45Å; E127-R217 HydrophobicContact CB-CG 4.15Å; E127-R217 HydrophobicContact CG-CG 4.02Å; E127-R217 IonicContact OE2-CZ 3.45Å; E127-R217 IonicContact OE2-NE 2.91Å; E127-R217 PolarHBondContact OE2-NE 3.44Å; E127-R217 IonicContact OE2-NH2 3.09Å; E127-R217 PolarHBondContact OE2-NH2 3.13Å; E127-R217 VanDerWaalsContact OE2-NH2 3.09Å; F166-R217 PolarHBondContact N-O 3.18Å; F166-R217 PolarHBondContact O-N 3.47Å; V168-R217 HydrophobicContact CG2-CB 4.38Å; V168-R217 HydrophobicContact CG2-CG 3.61Å; S177-R217 VanDerWaalsContact CB-NH1 3.34Å; S177-R217 PolarHBondContact OG-NH1 2.95Å; S177-R217 PolarHBondContact OG-NH2 3.47Å; R217-Y219 HydrophobicContact CB-CE2 4.11Å |
| 218 | L | 93.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.4 | -179.8 | -175 | 152.8 | 0 | 0 | 0 | 109.8 | W125 K126 F128 F146 I148 V163 S164 M165 L197 V220 P230 L235 | W125-L218 VanDerWaalsContact CA-O 3.31Å; W125-L218 WeakPolarHBondContact CA-O 3.42Å; W125-L218 WeakPolarHBondContact CB-O 3.12Å; K126-L218 PolarHBondContact N-O 2.81Å; K126-L218 PolarHBondContact O-N 2.73Å; F128-L218 HydrophobicContact CE2-CB 4.04Å; F128-L218 HydrophobicContact CE2-CD1 4.46Å; F146-L218 HydrophobicContact CE1-CD1 4.33Å; I148-L218 HydrophobicContact CD1-CD1 4.46Å; V163-L218 HydrophobicContact CG1-CD1 3.76Å; V163-L218 HydrophobicContact CG1-CD2 4Å; V163-L218 HydrophobicContact CG1-CG 3.8Å; S164-L218 WeakPolarHBondContact O-CA 3.44Å; M165-L218 HydrophobicContact CE-CB 4.12Å; M165-L218 HydrophobicContact CE-CD1 3.99Å; M165-L218 HydrophobicContact CE-CG 4.44Å; L197-L218 HydrophobicContact CD1-CD1 4.15Å; L218-V220 HydrophobicContact CD2-CG2 3.64Å; L218-P230 HydrophobicContact CD2-CB 3.99Å; L218-P230 HydrophobicContact CD2-CG 4Å; L218-L235 HydrophobicContact CD1-CD1 4.09Å; L218-L235 HydrophobicContact CD2-CD1 3.48Å; L218-L235 VanDerWaalsContact CD2-CD1 3.48Å; L218-L235 HydrophobicContact CG-CD1 4.44Å |
| 219 | Y | 93.6 | Very high | 85.5 | Confident | 29 Ų | 29 | 59 Ų | 59 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 146.7 | 172.6 | -65.4 | -96.4 | 0 | 0 | 0 | 109.4 | P123 W125 V163 S164 F166 L179 R217 | P123-Y219 HydrophobicContact CB-CE1 4.37Å; P123-Y219 HydrophobicContact CG-CE1 4.21Å; W125-Y219 HydrophobicContact CB-CD1 3.88Å; W125-Y219 HydrophobicContact CB-CD2 4.5Å; W125-Y219 HydrophobicContact CB-CE1 3.58Å; W125-Y219 HydrophobicContact CB-CE2 4.23Å; W125-Y219 HydrophobicContact CB-CG 4.34Å; W125-Y219 HydrophobicContact CD2-CE1 4.36Å; W125-Y219 HydrophobicContact CE3-CE1 4.04Å; W125-Y219 HydrophobicContact CG-CE1 4.22Å; V163-Y219 WeakPolarHBondContact CA-O 3.07Å; S164-Y219 PolarHBondContact N-O 3.28Å; S164-Y219 PolarHBondContact O-N 2.86Å; F166-Y219 AromaticContact CD2-CD2 3.53Å; F166-Y219 HydrophobicContact CD2-CD2 3.53Å; F166-Y219 AromaticContact CD2-CE2 3.78Å; F166-Y219 HydrophobicContact CD2-CE2 3.78Å; F166-Y219 AromaticContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CD2 3.55Å; F166-Y219 HydrophobicContact CE2-CE2 4.05Å; F166-Y219 HydrophobicContact CE2-CG 4.4Å; L179-Y219 HydrophobicContact CD1-CE2 3.98Å; L179-Y219 WeakPolarHBondContact CD1-OH 3.36Å; R217-Y219 HydrophobicContact CB-CE2 4.11Å |
| 220 | V | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.1 | 171.3 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | L161 H162 V163 L218 V228 P230 A233 L235 | L161-V220 HydrophobicContact CB-CG1 4.16Å; L161-V220 HydrophobicContact CD1-CG1 4.36Å; L161-V220 HydrophobicContact CD2-CG1 4.2Å; L161-V220 HydrophobicContact CG-CG1 4.48Å; H162-V220 CarbonylContact O-C 3.56Å; H162-V220 WeakPolarHBondContact O-CA 3.25Å; V163-V220 HydrophobicContact CG2-CG1 4.43Å; V163-V220 HydrophobicContact CG2-CG2 4.24Å; L218-V220 HydrophobicContact CD2-CG2 3.64Å; V220-V228 HydrophobicContact CB-CB 4.29Å; V220-V228 HydrophobicContact CG1-CB 4.14Å; V220-V228 PolarHBondContact O-N 2.99Å; V220-P230 HydrophobicContact CG2-CB 4.14Å; V220-P230 HydrophobicContact CG2-CG 4.11Å; V220-A233 HydrophobicContact CB-CB 4.4Å; V220-A233 HydrophobicContact CG1-CB 3.9Å; V220-A233 HydrophobicContact CG2-CB 4.25Å; V220-L235 HydrophobicContact CG2-CD1 3.58Å |
| 221 | E | 94.6 | Very high | 88.1 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.6 | 177.7 | -66.4 | 174.2 | 171.7 | 0 | 0 | 109.7 | L161 H162 H226 | L161-E221 CarbonylContact C-O 3.53Å; L161-E221 WeakPolarHBondContact CA-O 3.47Å; H162-E221 HydrophobicContact CB-CB 4.48Å; H162-E221 PolarHBondContact N-O 3.02Å; H162-E221 PolarHBondContact O-N 3.41Å; E221-H226 CarbonylContact C-O 3.59Å; E221-H226 VanDerWaalsContact CA-O 3.27Å; E221-H226 WeakPolarHBondContact CA-O 3.3Å |
| 222 | T | 92.7 | Very high | 89.2 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 166 | 167.5 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | L161 D224 G225 H226 V228 | L161-T222 HydrophobicContact CD2-CG2 4.35Å; T222-D224 PolarHBondContact O-N 2.82Å; T222-D224 PolarHBondContact OG1-N 2.99Å; T222-G225 PolarHBondContact O-N 3.41Å; T222-H226 PolarHBondContact N-O 2.91Å; T222-H226 PolarHBondContact OG1-N 3.32Å; T222-V228 HydrophobicContact CG2-CG2 3.52Å |
| 223 | E | 90.9 | Very high | 90.2 | Very high | 135 Ų | 135 | 39.7 Ų | 39.7 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -28.8 | 169.6 | -169.9 | 172 | 173 | 0 | 0 | 113.7 | T160 G225 | T160-E223 PolarHBondContact O-N 3.39Å; T160-E223 PolarHBondContact OG1-OE2 3.1Å; E223-G225 VanDerWaalsContact C-N 3.27Å; E223-G225 PolarHBondContact O-N 3.05Å |
| 224 | D | 89.8 | Confident | 90.8 | Very high | 100 Ų | 100 | 36.2 Ų | 36.2 | 54% | 0.535 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.2 | 177.4 | -52.3 | -53.7 | 0 | 0 | 0 | 113.7 | R159 T222 H226 | R159-D224 IonicContact CZ-OD2 3.34Å; R159-D224 IonicContact NH1-OD2 2.74Å; R159-D224 PolarHBondContact NH1-OD2 2.84Å; R159-D224 IonicContact NH2-OD2 3.65Å; T222-D224 PolarHBondContact O-N 2.82Å; T222-D224 PolarHBondContact OG1-N 2.99Å; D224-H226 VanDerWaalsContact C-N 3.35Å; D224-H226 WeakPolarHBondContact CB-ND1 3.39Å; D224-H226 PolarHBondContact O-N 3.39Å; D224-H226 PolarHBondContact O-ND1 3.38Å |
| 225 | G | 87.9 | Confident | 91.2 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 53% | 0.526 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 79.4 | 5.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T222 E223 | T222-G225 PolarHBondContact O-N 3.41Å; E223-G225 VanDerWaalsContact C-N 3.27Å; E223-G225 PolarHBondContact O-N 3.05Å |
| 226 | H | 89.7 | Confident | 91.3 | Very high | 117 Ų | 117 | 37.7 Ų | 37.7 | 54% | 0.542 | 21% | 0.211 | S | C | . | . | trans | -75.7 | 132.1 | 176.8 | -62.8 | 82 | 0 | 0 | 0 | 111.5 | E221 T222 D224 | E221-H226 CarbonylContact C-O 3.59Å; E221-H226 VanDerWaalsContact CA-O 3.27Å; E221-H226 WeakPolarHBondContact CA-O 3.3Å; T222-H226 PolarHBondContact N-O 2.91Å; T222-H226 PolarHBondContact OG1-N 3.32Å; D224-H226 VanDerWaalsContact C-N 3.35Å; D224-H226 WeakPolarHBondContact CB-ND1 3.39Å; D224-H226 PolarHBondContact O-N 3.39Å; D224-H226 PolarHBondContact O-ND1 3.38Å | ||
| 227 | S | 91.1 | Very high | 91 | Very high | 26 Ų | 26 | 38 Ų | 38 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 132.6 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | H124 | H124-S227 PolarHBondContact N-OG 3.42Å |
| 228 | V | 90.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.8 | 179.5 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L156 V220 T222 P230 A233 | L156-V228 HydrophobicContact CD1-CG1 3.64Å; L156-V228 HydrophobicContact CD1-CG2 4.1Å; V220-V228 HydrophobicContact CB-CB 4.29Å; V220-V228 HydrophobicContact CG1-CB 4.14Å; V220-V228 PolarHBondContact O-N 2.99Å; T222-V228 HydrophobicContact CG2-CG2 3.52Å; V228-P230 WeakPolarHBondContact O-CD 3.12Å; V228-A233 HydrophobicContact CG1-CB 4.09Å |
| 229 | D | 88.8 | Confident | 90 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | trans | -58 | 124.5 | 170.5 | 176.4 | -98.2 | 0 | 0 | 0 | 110.6 | H124 G231 L232 A233 | H124-D229 HydrophobicContact CB-CB 4.46Å; D229-G231 PolarHBondContact O-N 3.46Å; D229-G231 VanDerWaalsContact O-N 3.16Å; D229-G231 WeakPolarHBondContact OD1-CA 3.45Å; D229-G231 PolarHBondContact OD1-N 2.92Å; D229-L232 HydrophobicContact CB-CB 4.14Å; D229-L232 HydrophobicContact CB-CD1 4Å; D229-L232 HydrophobicContact CB-CG 3.94Å; D229-L232 PolarHBondContact O-N 2.77Å; D229-L232 VanDerWaalsContact O-N 3.07Å; D229-L232 PolarHBondContact OD1-N 3.23Å; D229-A233 PolarHBondContact O-N 2.82Å | ||
| 230 | P | 91.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.5 | -179.2 | -29.3 | 37 | 0 | 0 | 0 | 113.9 | K126 L218 V220 V228 A233 G234 L235 | K126-P230 HydrophobicContact CB-CB 4.2Å; K126-P230 HydrophobicContact CB-CG 4.01Å; K126-P230 HydrophobicContact CD-CB 4.31Å; L218-P230 HydrophobicContact CD2-CB 3.99Å; L218-P230 HydrophobicContact CD2-CG 4Å; V220-P230 HydrophobicContact CG2-CB 4.14Å; V220-P230 HydrophobicContact CG2-CG 4.11Å; V228-P230 WeakPolarHBondContact O-CD 3.12Å; P230-A233 PolarHBondContact O-N 2.95Å; P230-G234 PolarHBondContact O-N 2.92Å; P230-L235 HydrophobicContact CB-CB 4.46Å; P230-L235 HydrophobicContact CB-CD1 4.21Å; P230-L235 VanDerWaalsContact O-CB 3.28Å; P230-L235 WeakPolarHBondContact O-CB 3.49Å; P230-L235 PolarHBondContact O-N 2.8Å |
| 231 | G | 88.6 | Confident | 89.4 | Confident | 37 Ų | 37 | 55 Ų | 55 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D229 A233 G234 | D229-G231 PolarHBondContact O-N 3.46Å; D229-G231 VanDerWaalsContact O-N 3.16Å; D229-G231 WeakPolarHBondContact OD1-CA 3.45Å; D229-G231 PolarHBondContact OD1-N 2.92Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.35Å; G231-G234 WeakPolarHBondContact O-CA 3.35Å; G231-G234 PolarHBondContact O-N 3.34Å |
| 232 | L | 89.2 | Confident | 89.1 | Confident | 89 Ų | 89 | 58 Ų | 58 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.9 | 174 | -63.5 | -178 | 0 | 0 | 0 | 112.8 | D229 G234 | D229-L232 HydrophobicContact CB-CB 4.14Å; D229-L232 HydrophobicContact CB-CD1 4Å; D229-L232 HydrophobicContact CB-CG 3.94Å; D229-L232 PolarHBondContact O-N 2.77Å; D229-L232 VanDerWaalsContact O-N 3.07Å; D229-L232 PolarHBondContact OD1-N 3.23Å; L232-G234 PolarHBondContact O-N 2.98Å |
| 233 | A | 91.5 | Very high | 89 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -2.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K150 S153 L161 V220 V228 D229 P230 G231 | K150-A233 VanDerWaalsContact CD-O 3.25Å; K150-A233 WeakPolarHBondContact CD-O 3.35Å; K150-A233 WeakPolarHBondContact CE-O 3.49Å; K150-A233 PolarHBondContact NZ-O 3.16Å; S153-A233 PolarHBondContact OG-O 3.39Å; L161-A233 HydrophobicContact CD1-CB 4.05Å; V220-A233 HydrophobicContact CB-CB 4.4Å; V220-A233 HydrophobicContact CG1-CB 3.9Å; V220-A233 HydrophobicContact CG2-CB 4.25Å; V228-A233 HydrophobicContact CG1-CB 4.09Å; D229-A233 PolarHBondContact O-N 2.82Å; P230-A233 PolarHBondContact O-N 2.95Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.35Å |
| 234 | G | 91.7 | Very high | 89 | Confident | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 16.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K150 V151 P230 G231 L232 | K150-G234 CarbonylContact C-O 3.56Å; K150-G234 WeakPolarHBondContact CA-O 3.43Å; V151-G234 WeakPolarHBondContact CG2-O 3.44Å; V151-G234 PolarHBondContact N-O 2.8Å; P230-G234 PolarHBondContact O-N 2.92Å; G231-G234 WeakPolarHBondContact O-CA 3.35Å; G231-G234 PolarHBondContact O-N 3.34Å; L232-G234 PolarHBondContact O-N 2.98Å |
| 235 | L | 92.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 116.9 | 174.8 | -62.3 | 173.6 | 0 | 0 | 0 | 110.3 | I148 K150 V163 L195 L218 V220 P230 | I148-L235 HydrophobicContact CD1-CB 3.9Å; I148-L235 HydrophobicContact CG1-CB 4.45Å; I148-L235 HydrophobicContact CG2-CD2 4.25Å; K150-L235 HydrophobicContact CB-CD2 4.17Å; K150-L235 HydrophobicContact CD-CD2 3.81Å; K150-L235 HydrophobicContact CD-CG 4.38Å; V163-L235 HydrophobicContact CG1-CD1 4.35Å; V163-L235 HydrophobicContact CG2-CD1 4.4Å; L195-L235 HydrophobicContact CD2-CD2 4.32Å; L218-L235 HydrophobicContact CD1-CD1 4.09Å; L218-L235 HydrophobicContact CD2-CD1 3.48Å; L218-L235 VanDerWaalsContact CD2-CD1 3.48Å; L218-L235 HydrophobicContact CG-CD1 4.44Å; V220-L235 HydrophobicContact CG2-CD1 3.58Å; P230-L235 HydrophobicContact CB-CB 4.46Å; P230-L235 HydrophobicContact CB-CD1 4.21Å; P230-L235 VanDerWaalsContact O-CB 3.28Å; P230-L235 WeakPolarHBondContact O-CB 3.49Å; P230-L235 PolarHBondContact O-N 2.8Å |
| 236 | L | 91.1 | Very high | 89.4 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | trans | -81.9 | 124.8 | -173.8 | -64.8 | -168.5 | 0 | 0 | 0 | 111.9 | I148 Y149 V151 A240 R244 | I148-L236 WeakPolarHBondContact CD1-O 3.25Å; I148-L236 VanDerWaalsContact CG1-O 3.3Å; I148-L236 WeakPolarHBondContact CG1-O 3.37Å; Y149-L236 HydrophobicContact CD1-CD1 3.71Å; Y149-L236 HydrophobicContact CD1-CG 4.4Å; Y149-L236 HydrophobicContact CG-CD1 4.37Å; Y149-L236 WeakPolarHBondContact O-CB 3.48Å; Y149-L236 PolarHBondContact O-N 2.9Å; V151-L236 HydrophobicContact CG1-CD1 3.95Å; V151-L236 HydrophobicContact CG1-CD2 4.46Å; V151-L236 HydrophobicContact CG1-CG 4.28Å; V151-L236 HydrophobicContact CG2-CD2 4.06Å; V151-L236 HydrophobicContact CG2-CG 4.49Å; L236-A240 HydrophobicContact CB-CB 3.77Å; L236-A240 HydrophobicContact CD1-CB 4.07Å; L236-A240 HydrophobicContact CG-CB 4.35Å; L236-R244 HydrophobicContact CD1-CB 3.93Å | ||
| 237 | G | 86.4 | Confident | 89.6 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | trans | -96.5 | -151.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E113 R239 A240 | E113-G237 WeakPolarHBondContact OE1-CA 3.47Å; E113-G237 VanDerWaalsContact OE2-C 3.31Å; E113-G237 WeakPolarHBondContact OE2-CA 3.47Å; G237-R239 VanDerWaalsContact C-N 3.31Å; G237-R239 PolarHBondContact O-N 3.38Å; G237-A240 WeakPolarHBondContact O-CB 3.33Å; G237-A240 PolarHBondContact O-N 3.11Å | ||
| 238 | Q | 80.8 | Confident | 89.7 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.1 | -175.8 | -167.7 | 177.5 | 38.4 | 0 | 0 | 112.3 | N110 E113 A240 Q245 | N110-Q238 PolarHBondContact O-NE2 2.9Å; E113-Q238 HydrophobicContact CB-CB 3.93Å; E113-Q238 PolarHBondContact OE1-N 3.47Å; E113-Q238 VanDerWaalsContact OE1-N 3.1Å; E113-Q238 WeakPolarHBondContact OE2-CB 3.36Å; E113-Q238 PolarHBondContact OE2-N 3.38Å; Q238-A240 PolarHBondContact O-N 2.93Å; Q238-Q245 PolarHBondContact O-NE2 3.31Å |
| 239 | R | 82.6 | Confident | 89.8 | Confident | 226 Ų | 226 | 45.8 Ų | 45.8 | 85% | 0.853 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.7 | 176.2 | -60.4 | -175.9 | -171.8 | -179.6 | 4.3 | 113.4 | G237 | G237-R239 VanDerWaalsContact C-N 3.31Å; G237-R239 PolarHBondContact O-N 3.38Å |
| 240 | A | 85.9 | Confident | 90 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -69.2 | 162.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L236 G237 Q238 Q245 | L236-A240 HydrophobicContact CB-CB 3.77Å; L236-A240 HydrophobicContact CD1-CB 4.07Å; L236-A240 HydrophobicContact CG-CB 4.35Å; G237-A240 WeakPolarHBondContact O-CB 3.33Å; G237-A240 PolarHBondContact O-N 3.11Å; Q238-A240 PolarHBondContact O-N 2.93Å; A240-Q245 PolarHBondContact O-NE2 3.22Å |
| 241 | P | 89.4 | Confident | 90 | Very high | 83 Ų | 83 | 44.2 Ų | 44.2 | 54% | 0.539 | 22% | 0.219 | S | C | . | . | trans | -51.7 | 142.4 | 169.3 | -25 | 34.5 | 0 | 0 | 0 | 111.1 | S243 R244 Q245 | P241-S243 PolarHBondContact O-N 3.05Å; P241-R244 PolarHBondContact O-N 3.36Å; P241-Q245 PolarHBondContact O-N 2.58Å | ||
| 242 | R | 87.7 | Confident | 90 | Very high | 142 Ų | 142 | 42.4 Ų | 42.4 | 54% | 0.536 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -54.4 | -29.6 | -174.7 | -57.7 | -172.1 | 99.3 | -172.7 | 9.8 | 113.7 | A71 S72 R244 | A71-R242 CarbonylContact C-O 3.31Å; A71-R242 WeakPolarHBondContact CA-O 3.46Å; A71-R242 HydrophobicContact CB-CB 4.23Å; S72-R242 PolarHBondContact N-O 2.97Å; R242-R244 VanDerWaalsContact C-N 3.25Å; R242-R244 PolarHBondContact O-N 2.69Å |
| 243 | S | 90.6 | Very high | 89.8 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -71.7 | -12.3 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | S72 P241 | S72-S243 WeakPolarHBondContact CB-O 3.37Å; P241-S243 PolarHBondContact O-N 3.05Å |
| 244 | R | 92.3 | Very high | 88.9 | Confident | 87 Ų | 87 | 45 Ų | 45 | 33% | 0.328 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -124.5 | 8.8 | -177.8 | -62.3 | -176.8 | -178.2 | -163.4 | -4.7 | 113.5 | Y149 E192 L236 P241 R242 | Y149-R244 HydrophobicContact CD1-CB 4.36Å; Y149-R244 HydrophobicContact CD1-CG 4.2Å; Y149-R244 HydrophobicContact CD2-CG 4.31Å; Y149-R244 HydrophobicContact CE1-CG 4.45Å; Y149-R244 HydrophobicContact CG-CB 4.07Å; Y149-R244 HydrophobicContact CG-CG 4.1Å; E192-R244 IonicContact OE1-NH1 3.93Å; L236-R244 HydrophobicContact CD1-CB 3.93Å; P241-R244 PolarHBondContact O-N 3.36Å; R242-R244 VanDerWaalsContact C-N 3.25Å; R242-R244 PolarHBondContact O-N 2.69Å |
| 245 | Q | 91.7 | Very high | 87.3 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 23% | 0.229 | 23% | 0.226 | C | C | . | . | trans | -70.8 | 148 | 177.5 | -76.8 | 176.2 | -17.7 | 0 | 0 | 111.3 | S72 Q238 A240 P241 | S72-Q245 VanDerWaalsContact CB-O 3.29Å; S72-Q245 WeakPolarHBondContact CB-O 3.4Å; S72-Q245 PolarHBondContact OG-O 3.23Å; Q238-Q245 PolarHBondContact O-NE2 3.31Å; A240-Q245 PolarHBondContact O-NE2 3.22Å; P241-Q245 PolarHBondContact O-N 2.58Å | ||
| 246 | P | 93.8 | Very high | 85.2 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | trans | -71.4 | 148 | 180 | 28.8 | -34 | 0 | 0 | 0 | 112.2 | N110 F128 F146 R147 I148 | N110-P246 HydrophobicContact CB-CG 4.49Å; F128-P246 HydrophobicContact CD1-CG 4.03Å; F128-P246 HydrophobicContact CE1-CB 4.24Å; F128-P246 HydrophobicContact CE1-CG 3.7Å; F146-P246 HydrophobicContact CE2-CB 4.19Å; F146-P246 HydrophobicContact CZ-CB 4.02Å; R147-P246 WeakPolarHBondContact O-CA 3.45Å; R147-P246 WeakPolarHBondContact O-CB 3.39Å; I148-P246 HydrophobicContact CB-CB 4.29Å; I148-P246 HydrophobicContact CG1-CB 4.26Å | ||
| 247 | F | 93.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 160.2 | 178.4 | 65.3 | -83.2 | 0 | 0 | 0 | 110.8 | S72 A73 F76 F108 R147 W194 | S72-F247 WeakPolarHBondContact OG-CD1 3.43Å; A73-F247 HydrophobicContact CB-CB 4.05Å; A73-F247 HydrophobicContact CB-CD1 4.38Å; A73-F247 HydrophobicContact CB-CD2 3.95Å; A73-F247 HydrophobicContact CB-CE2 4.49Å; A73-F247 HydrophobicContact CB-CG 3.88Å; F76-F247 HydrophobicContact CB-CE2 4.11Å; F76-F247 HydrophobicContact CB-CZ 3.62Å; F76-F247 AromaticContact CD1-CE2 3.66Å; F76-F247 HydrophobicContact CD1-CE2 3.66Å; F76-F247 AromaticContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CD1-CZ 3.95Å; F76-F247 HydrophobicContact CE1-CE2 4.36Å; F76-F247 AromaticContact CG-CE2 3.97Å; F76-F247 HydrophobicContact CG-CE2 3.97Å; F76-F247 AromaticContact CG-CZ 3.75Å; F76-F247 HydrophobicContact CG-CZ 3.75Å; F108-F247 WeakPolarHBondContact O-CA 3.38Å; F108-F247 WeakPolarHBondContact O-CB 3.33Å; R147-F247 HydrophobicContact CB-CD1 4.3Å; R147-F247 HydrophobicContact CB-CE1 3.95Å; R147-F247 HydrophobicContact CB-CE2 4.32Å; R147-F247 HydrophobicContact CB-CZ 3.98Å; R147-F247 VanDerWaalsContact CD-CZ 3.45Å; R147-F247 HydrophobicContact CG-CE2 4.47Å; R147-F247 HydrophobicContact CG-CZ 4.32Å; R147-F247 PolarHBondContact N-O 2.67Å; R147-F247 PolarHBondContact O-N 3.4Å; R147-F247 VanDerWaalsContact O-N 3.08Å; W194-F247 HydrophobicContact CH2-CD1 4.37Å; W194-F247 AromaticContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CH2-CE1 3.85Å; W194-F247 HydrophobicContact CZ2-CE1 4.45Å; W194-F247 HydrophobicContact CZ3-CD1 4.36Å; W194-F247 AromaticContact CZ3-CE1 3.9Å; W194-F247 HydrophobicContact CZ3-CE1 3.9Å |
| 248 | V | 93.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.2 | 170.1 | 172 | 0 | 0 | 0 | 0 | 108.6 | S107 F108 F130 E145 F146 L216 T250 | S107-V248 CarbonylContact C-O 3.57Å; S107-V248 VanDerWaalsContact CA-O 3.3Å; S107-V248 WeakPolarHBondContact CA-O 3.4Å; F108-V248 HydrophobicContact CB-CB 4.46Å; F108-V248 HydrophobicContact CD2-CG1 4.49Å; F108-V248 PolarHBondContact N-O 3.08Å; F108-V248 PolarHBondContact O-N 3.1Å; F130-V248 HydrophobicContact CD1-CB 4.3Å; F130-V248 HydrophobicContact CD1-CG2 4.03Å; F130-V248 HydrophobicContact CD2-CG2 3.82Å; F130-V248 HydrophobicContact CE1-CB 4.32Å; F130-V248 HydrophobicContact CE1-CG2 3.83Å; F130-V248 HydrophobicContact CE2-CG2 3.62Å; F130-V248 HydrophobicContact CG-CG2 4.03Å; F130-V248 HydrophobicContact CZ-CG2 3.63Å; E145-V248 CarbonylContact O-C 3.56Å; E145-V248 WeakPolarHBondContact O-CA 3.19Å; F146-V248 HydrophobicContact CB-CG2 4.27Å; F146-V248 HydrophobicContact CD2-CG2 3.82Å; L216-V248 HydrophobicContact CD1-CG2 4.23Å; V248-T250 HydrophobicContact CG1-CG2 3.96Å |
| 249 | V | 93.8 | Very high | 78.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.6 | 164.1 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | F76 M77 V105 M106 A144 E145 F251 | F76-V249 HydrophobicContact CE1-CB 4.01Å; F76-V249 HydrophobicContact CE1-CG1 3.93Å; F76-V249 HydrophobicContact CE1-CG2 3.92Å; F76-V249 HydrophobicContact CZ-CG1 4.32Å; M77-V249 HydrophobicContact SD-CG2 4.17Å; V105-V249 HydrophobicContact CG1-CG2 3.43Å; V105-V249 VanDerWaalsContact CG1-CG2 3.43Å; M106-V249 WeakPolarHBondContact O-CA 3.3Å; A144-V249 CarbonylContact C-O 3.56Å; A144-V249 WeakPolarHBondContact CA-O 3.45Å; E145-V249 HydrophobicContact CB-CG1 3.8Å; E145-V249 PolarHBondContact N-O 2.89Å; E145-V249 PolarHBondContact O-N 2.81Å; V249-F251 HydrophobicContact CG1-CE2 4.08Å; V249-F251 HydrophobicContact CG2-CE2 4.03Å; V249-F251 HydrophobicContact CG2-CZ 4.12Å |
| 250 | T | 91.8 | Very high | 76.3 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.1 | 178 | 50 | 0 | 0 | 0 | 0 | 110.2 | V105 M106 F108 A143 A144 W206 V248 F252 | V105-T250 WeakPolarHBondContact CA-O 3.46Å; M106-T250 PolarHBondContact N-O 2.97Å; M106-T250 PolarHBondContact O-N 2.93Å; M106-T250 PolarHBondContact O-OG1 3.37Å; F108-T250 HydrophobicContact CD2-CG2 4.29Å; F108-T250 HydrophobicContact CE2-CG2 3.94Å; F108-T250 VanDerWaalsContact CE2-OG1 3.25Å; F108-T250 WeakPolarHBondContact CE2-OG1 3.38Å; A143-T250 WeakPolarHBondContact O-CA 3.48Å; A144-T250 HydrophobicContact CB-CG2 3.83Å; W206-T250 HydrophobicContact CZ3-CG2 4.29Å; V248-T250 HydrophobicContact CG1-CG2 3.96Å; T250-F252 HydrophobicContact CG2-CZ 4.47Å; T250-F252 WeakPolarHBondContact O-CE2 3.2Å; T250-F252 WeakPolarHBondContact OG1-CE2 3.36Å; T250-F252 VanDerWaalsContact OG1-CZ 3.25Å; T250-F252 WeakPolarHBondContact OG1-CZ 3.29Å |
| 251 | F | 91.3 | Very high | 73.8 | Confident | 9 Ų | 9 | 68 Ų | 68 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128.5 | 177.8 | -60.1 | -95.4 | 0 | 0 | 0 | 109.4 | L80 L99 A102 V105 T142 A143 V249 | L80-F251 HydrophobicContact CD2-CE1 4.19Å; L99-F251 HydrophobicContact CD1-CE1 4.11Å; L99-F251 HydrophobicContact CD1-CZ 4.22Å; L99-F251 HydrophobicContact CG-CE1 4.18Å; A102-F251 HydrophobicContact CB-CB 4.13Å; A102-F251 HydrophobicContact CB-CD1 4.12Å; V105-F251 HydrophobicContact CB-CD1 4.43Å; V105-F251 HydrophobicContact CG1-CD1 3.97Å; V105-F251 HydrophobicContact CG1-CE1 3.97Å; V105-F251 HydrophobicContact CG1-CG 4.47Å; V105-F251 HydrophobicContact CG1-CZ 4.48Å; V105-F251 HydrophobicContact CG2-CD1 3.59Å; V105-F251 HydrophobicContact CG2-CE1 4.02Å; V105-F251 HydrophobicContact CG2-CG 4.47Å; T142-F251 PolarHBondContact N-O 3.25Å; T142-F251 PolarHBondContact OG1-O 2.78Å; A143-F251 HydrophobicContact CB-CB 4.23Å; A143-F251 HydrophobicContact CB-CD2 3.89Å; A143-F251 HydrophobicContact CB-CG 4.4Å; A143-F251 PolarHBondContact N-O 3.44Å; A143-F251 PolarHBondContact O-N 2.89Å; V249-F251 HydrophobicContact CG1-CE2 4.08Å; V249-F251 HydrophobicContact CG2-CE2 4.03Å; V249-F251 HydrophobicContact CG2-CZ 4.12Å |
| 252 | F | 88.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 153.9 | -177.5 | -56.3 | -92.9 | 0 | 0 | 0 | 111.5 | A102 D103 L104 M106 I135 E139 A140 V141 T250 | A102-F252 CarbonylContact C-O 3.49Å; A102-F252 VanDerWaalsContact CA-O 3.29Å; A102-F252 WeakPolarHBondContact CA-O 3.16Å; A102-F252 WeakPolarHBondContact CB-O 3.24Å; D103-F252 PolarHBondContact N-O 3.06Å; L104-F252 HydrophobicContact CB-CB 4.05Å; L104-F252 HydrophobicContact CB-CD2 4.46Å; L104-F252 HydrophobicContact CD2-CB 4.25Å; L104-F252 HydrophobicContact CD2-CD2 4Å; L104-F252 HydrophobicContact CD2-CG 4.21Å; L104-F252 HydrophobicContact CG-CB 4.35Å; L104-F252 HydrophobicContact CG-CD2 3.97Å; L104-F252 HydrophobicContact CG-CG 4.47Å; L104-F252 PolarHBondContact N-O 2.75Å; L104-F252 WeakPolarHBondContact O-CA 3.04Å; L104-F252 PolarHBondContact O-N 3.03Å; M106-F252 HydrophobicContact CB-CE2 3.89Å; M106-F252 HydrophobicContact CG-CD2 4.26Å; M106-F252 HydrophobicContact CG-CE2 3.69Å; M106-F252 HydrophobicContact SD-CE2 3.8Å; M106-F252 HydrophobicContact SD-CZ 4.18Å; I135-F252 HydrophobicContact CD1-CE1 4.05Å; I135-F252 HydrophobicContact CD1-CZ 3.86Å; I135-F252 HydrophobicContact CG1-CE1 4.2Å; I135-F252 HydrophobicContact CG1-CZ 3.86Å; I135-F252 HydrophobicContact CG2-CD1 4.34Å; I135-F252 HydrophobicContact CG2-CE1 3.52Å; I135-F252 HydrophobicContact CG2-CZ 3.98Å; E139-F252 HydrophobicContact CB-CB 4.17Å; E139-F252 HydrophobicContact CB-CD1 3.99Å; E139-F252 HydrophobicContact CB-CG 4.33Å; A140-F252 VanDerWaalsContact O-CA 3.29Å; A140-F252 WeakPolarHBondContact O-CA 3.39Å; V141-F252 HydrophobicContact CG2-CD1 3.91Å; V141-F252 HydrophobicContact CG2-CE1 3.51Å; V141-F252 HydrophobicContact CG2-CZ 4.42Å; T250-F252 HydrophobicContact CG2-CZ 4.47Å; T250-F252 WeakPolarHBondContact O-CE2 3.2Å; T250-F252 WeakPolarHBondContact OG1-CE2 3.36Å; T250-F252 VanDerWaalsContact OG1-CZ 3.25Å; T250-F252 WeakPolarHBondContact OG1-CZ 3.29Å |
| 253 | R | 85.4 | Confident | 69.2 | Low | 99 Ų | 99 | 73.9 Ų | 73.9 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.9 | 168.4 | -169.9 | 172.8 | -175.5 | -173.8 | -2.8 | 108.9 | R101 E139 A140 T142 S255 | R101-R253 VanDerWaalsContact NE-NH1 3.18Å; E139-R253 VanDerWaalsContact OE2-C 3.22Å; A140-R253 PolarHBondContact N-O 2.85Å; A140-R253 PolarHBondContact O-N 3.5Å; T142-R253 HydrophobicContact CG2-CB 3.63Å; R253-S255 PolarHBondContact O-N 2.68Å; R253-S255 VanDerWaalsContact O-N 3.13Å |
| 254 | A | 72 | Confident | 66.7 | Low | 44 Ų | 44 | 75.9 Ų | 75.9 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 123.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | E139 | E139-A254 VanDerWaalsContact OE2-CA 3.29Å; E139-A254 WeakPolarHBondContact OE2-CA 3.43Å; E139-A254 PolarHBondContact OE2-N 3.28Å; E139-A254 VanDerWaalsContact OE2-N 3.12Å |
| 255 | S | 59.8 | Low | 64.4 | Low | 42 Ų | 42 | 78.2 Ų | 78.2 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | trans | -54.6 | 142 | 167.5 | 61.6 | 0 | 0 | 0 | 0 | 107.9 | G138 R253 S257 | G138-S255 WeakPolarHBondContact O-CB 3.3Å; G138-S255 PolarHBondContact O-N 3.12Å; G138-S255 PolarHBondContact O-OG 3.19Å; R253-S255 PolarHBondContact O-N 2.68Å; R253-S255 VanDerWaalsContact O-N 3.13Å; S255-S257 PolarHBondContact O-N 3.13Å | ||
| 256 | P | 48.6 | Very low | 61.9 | Low | 139 Ų | 139 | 86.6 Ų | 86.6 | 90% | 0.903 | 46% | 0.461 | S | S | * | . | trans | -70.1 | 63 | 174.5 | 29.3 | -33.1 | 0 | 0 | 0 | 110 | ||||
| 257 | S | 39.4 | Very low | 59.3 | Low | 75 Ų | 75 | 92.1 Ų | 92.1 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | trans | -85 | 142.3 | 160.5 | 62.4 | 0 | 0 | 0 | 0 | 107.5 | S255 I259 | S255-S257 PolarHBondContact O-N 3.13Å; S257-I259 PolarHBondContact O-N 2.9Å | ||
| 258 | P | 37.5 | Very low | 56.7 | Low | 120 Ų | 120 | 99.5 Ų | 99.5 | 78% | 0.779 | 54% | 0.536 | S | S | * | . | trans | -61.2 | 119.5 | -170.6 | 22.6 | -30.9 | 0 | 0 | 0 | 109.3 | R260 | P258-R260 PolarHBondContact O-N 3.4Š| ||
| 259 | I | 39.2 | Very low | 54.1 | Low | 143 Ų | 143 | 111.1 Ų | 111.1 | 73% | 0.733 | 58% | 0.58 | S | S | * | * | trans | -43.1 | 111 | 168.5 | -63 | 166.9 | 0 | 0 | 0 | 106.4 | S257 T261 | S257-I259 PolarHBondContact O-N 2.9Å; I259-T261 PolarHBondContact O-N 3.23Å | ||
| 260 | R | 36.5 | Very low | 51.4 | Low | 227 Ų | 227 | 122.8 Ų | 122.8 | 86% | 0.857 | 62% | 0.624 | S | S | * | * | trans | -57.9 | 113.3 | 169 | -79.5 | -175 | 172.4 | 173.8 | 0.8 | 105.4 | P258 | P258-R260 PolarHBondContact O-N 3.4Š| ||
| 261 | T | 35 | Very low | 48.9 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 133.2 | 167.8 | 44.5 | 0 | 0 | 0 | 0 | 107.3 | I259 R263 | I259-T261 PolarHBondContact O-N 3.23Å; T261-R263 PolarHBondContact O-N 3.48Å |
| 262 | P | 40.4 | Very low | 46.3 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 117 | 173 | 21.1 | -29.7 | 0 | 0 | 0 | 106.7 | A264 | P262-A264 PolarHBondContact O-N 2.65Å; P262-A264 VanDerWaalsContact O-N 3.09Å |
| 263 | R | 38.4 | Very low | 44 | Very low | 223 Ų | 223 | 148.5 Ų | 148.5 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.6 | 175 | -81.5 | 179.6 | 178 | 168.1 | -1 | 106.3 | T261 V265 | T261-R263 PolarHBondContact O-N 3.48Å; R263-V265 PolarHBondContact O-N 2.86Å |
| 264 | A | 39.4 | Very low | 41.5 | Very low | 94 Ų | 94 | 153.7 Ų | 153.7 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 116.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | P262 R266 | P262-A264 PolarHBondContact O-N 2.65Å; P262-A264 VanDerWaalsContact O-N 3.09Å; A264-R266 PolarHBondContact O-N 2.64Å |
| 265 | V | 42.3 | Very low | 39.7 | Very low | 136 Ų | 136 | 161.3 Ų | 161.3 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 117.2 | 176.4 | 176.4 | 0 | 0 | 0 | 0 | 106.4 | R263 | R263-V265 PolarHBondContact O-N 2.86Š|
| 266 | R | 40.6 | Very low | 38.5 | Very low | 224 Ų | 224 | 166 Ų | 166 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 127.6 | 174 | -81.6 | -178.1 | 167.7 | -176.9 | -3.5 | 107.5 | A264 L268 | A264-R266 PolarHBondContact O-N 2.64Å; R266-L268 PolarHBondContact O-N 2.93Å; R266-L268 VanDerWaalsContact O-N 3.14Å |
| 267 | P | 37.8 | Very low | 37.8 | Very low | 121 Ų | 121 | 166.9 Ų | 166.9 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 125.9 | 177.5 | -21.2 | 30.7 | 0 | 0 | 0 | 108.8 | R269 | P267-R269 PolarHBondContact O-N 3.23Š|
| 268 | L | 39.4 | Very low | 37.6 | Very low | 154 Ų | 154 | 172.8 Ų | 172.8 | 81% | 0.806 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 116.4 | 167.5 | -135 | 91 | 0 | 0 | 0 | 106.2 | R266 R270 | R266-L268 PolarHBondContact O-N 2.93Å; R266-L268 VanDerWaalsContact O-N 3.14Å; L268-R270 PolarHBondContact O-N 2.8Å |
| 269 | R | 38.4 | Very low | 37.6 | Very low | 245 Ų | 245 | 175.3 Ų | 175.3 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -52.1 | 102.4 | 179.3 | -97.9 | -172.9 | 165.1 | -172.2 | -3.5 | 109.2 | P267 R271 | P267-R269 PolarHBondContact O-N 3.23Å; R269-R271 PolarHBondContact O-N 2.85Å; R269-R271 VanDerWaalsContact O-N 3.1Å | ||
| 270 | R | 38.7 | Very low | 37.8 | Very low | 245 Ų | 245 | 173.9 Ų | 173.9 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -59.6 | 111.4 | 165.7 | -107.3 | 179 | 169.8 | 175.9 | -2.8 | 106.8 | L268 Q272 | L268-R270 PolarHBondContact O-N 2.8Å; R270-Q272 PolarHBondContact O-N 2.79Å | ||
| 271 | R | 39.1 | Very low | 37.7 | Very low | 244 Ų | 244 | 172.4 Ų | 172.4 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 119.2 | 165.6 | -81.9 | -177.3 | 171 | -173.3 | -3.1 | 107.2 | R269 | R269-R271 PolarHBondContact O-N 2.85Å; R269-R271 VanDerWaalsContact O-N 3.1Å |
| 272 | Q | 36.1 | Very low | 37.5 | Very low | 184 Ų | 184 | 171.5 Ų | 171.5 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 132.2 | 173.1 | -74 | -169.6 | -8.3 | 0 | 0 | 109.5 | R270 | R270-Q272 PolarHBondContact O-N 2.79Š|
| 273 | P | 38.9 | Very low | 37.5 | Very low | 120 Ų | 120 | 173.5 Ų | 173.5 | 78% | 0.779 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 136.4 | 164.3 | 16.6 | -8.2 | 0 | 0 | 0 | 109.6 | K275 | P273-K275 PolarHBondContact O-N 2.92Š|
| 274 | K | 33.9 | Very low | 37.1 | Very low | 209 Ų | 209 | 174.8 Ų | 174.8 | 91% | 0.909 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 125.8 | 174.7 | -79.3 | 177 | 171.2 | -179.2 | 0 | 110 | ||
| 275 | K | 34.5 | Very low | 36.9 | Very low | 203 Ų | 203 | 178.3 Ų | 178.3 | 88% | 0.883 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 122.8 | 165.6 | -81.3 | -177.4 | 172.4 | -177.2 | 0 | 109.2 | P273 | P273-K275 PolarHBondContact O-N 2.92Š|
| 276 | T | 33.3 | Very low | 36.8 | Very low | 141 Ų | 141 | 177.5 Ų | 177.5 | 87% | 0.865 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 139.3 | 158.6 | 18.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 277 | N | 35.9 | Very low | 36.4 | Very low | 158 Ų | 158 | 170.6 Ų | 170.6 | 85% | 0.845 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -73 | 127.4 | -178.1 | -70.6 | -25.6 | 0 | 0 | 0 | 111.3 | ||
| 278 | E | 33.3 | Very low | 36.6 | Very low | 198 Ų | 198 | 172 Ų | 172 | 93% | 0.925 | 86% | 0.86 | S | S | * | * | trans | -138.9 | 144.3 | 146.9 | -71.6 | -158 | 155.7 | 0 | 0 | 109.9 | ||||
| 279 | L | 38.9 | Very low | 36.6 | Very low | 174 Ų | 174 | 172.9 Ų | 172.9 | 91% | 0.911 | 86% | 0.858 | S | S | * | * | trans | -75.7 | 165 | -165.6 | -81.9 | 138.6 | 0 | 0 | 0 | 114 | ||||
| 280 | P | 44 | Very low | 36.7 | Very low | 112 Ų | 112 | 167.3 Ų | 167.3 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | trans | -99.1 | 150 | -161.2 | 36.5 | -30.7 | 0 | 0 | 0 | 113.2 | ||||
| 281 | Q | 32.5 | Very low | 36.6 | Very low | 197 Ų | 197 | 162 Ų | 162 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -156.3 | 138.2 | 152.1 | -119.7 | 168.8 | 5.1 | 0 | 0 | 116.3 | ||||
| 282 | A | 31.9 | Very low | 36.9 | Very low | 95 Ų | 95 | 155.6 Ų | 155.6 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | 96 | 106.3 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 283 | N | 39.8 | Very low | 37.1 | Very low | 167 Ų | 167 | 156 Ų | 156 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -38.4 | 131.8 | 165.3 | -57.7 | -26.6 | 0 | 0 | 0 | 115.1 | ||||
| 284 | R | 31.5 | Very low | 37 | Very low | 250 Ų | 250 | 153.7 Ų | 153.7 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | trans | -143 | 128.1 | 142.2 | -76.1 | -164.5 | 176.6 | 164.7 | -0.7 | 110.6 | ||||
| 285 | L | 34.2 | Very low | 37.5 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 159.1 | 173.5 | -77 | 149.4 | 0 | 0 | 0 | 111.2 | ||
| 286 | P | 39.5 | Very low | 37.9 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 123.6 | -168.8 | 20.9 | -8.2 | 0 | 0 | 0 | 112.1 | ||
| 287 | G | 32.4 | Very low | 38.5 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 135.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 288 | I | 42.2 | Very low | 39.7 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 123.8 | -171.1 | -84.5 | 163.6 | 0 | 0 | 0 | 108.5 | ||
| 289 | F | 40.3 | Very low | 41.8 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | 74.5 | 126.7 | 160.8 | -73 | -103.7 | 0 | 0 | 0 | 121.9 | ||||
| 290 | D | 39.6 | Very low | 44 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | trans | 66.1 | 138.2 | 145.7 | -56.8 | -21.8 | 0 | 0 | 0 | 119.3 | ||||
| 291 | D | 36.9 | Very low | 46.1 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | cis | -161.2 | 153.8 | 26.3 | -123.6 | -36.4 | 0 | 0 | 0 | 110.8 | ||||
| 292 | V | 45.4 | Very low | 48.8 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 66% | 0.655 | 70% | 0.701 | S | S | * | * | trans | 23.1 | 113.7 | 150.1 | -180 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 293 | H | 40.3 | Very low | 51.7 | Low | 194 Ų | 194 | 128.4 Ų | 128.4 | 90% | 0.898 | 68% | 0.684 | S | S | * | * | -177.2 | 83.7 | 124.2 | -94.5 | 86.8 | 0 | 0 | 0 | 109 | |||||
| 294 | G | 37 | Very low | 54.2 | Low | 70 Ų | 70 | 121.6 Ų | 121.6 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | trans | -138.9 | 74.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | H296 | G294-H296 PolarHBondContact O-N 2.93Š| ||
| 295 | S | 44.2 | Very low | 57.2 | Low | 115 Ų | 115 | 118 Ų | 118 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -70.3 | 57 | 176.4 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 296 | H | 43.8 | Very low | 60 | Low | 180 Ų | 180 | 113.6 Ų | 113.6 | 83% | 0.833 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -126.7 | 77.3 | 152.6 | -75.1 | -61.9 | 0 | 0 | 0 | 105.9 | G294 R298 | G294-H296 PolarHBondContact O-N 2.93Å; H296-R298 PolarHBondContact O-N 2.97Å |
| 297 | G | 46.1 | Very low | 62.5 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 68% | 0.68 | 61% | 0.605 | S | S | * | * | trans | -52.4 | 105.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q299 | G297-Q299 PolarHBondContact O-N 3.49Š| ||
| 298 | R | 60.4 | Low | 65.3 | Low | 174 Ų | 174 | 111.9 Ų | 111.9 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | trans | -59.2 | 107.9 | 167.6 | -82.4 | 167.7 | 166.3 | -163.9 | 10.5 | 107 | H296 V300 E333 | H296-R298 PolarHBondContact O-N 2.97Å; R298-V300 PolarHBondContact O-N 2.87Å; R298-E333 HydrophobicContact CB-CG 4.42Å; R298-E333 VanDerWaalsContact CD-CD 3.47Å; R298-E333 WeakPolarHBondContact CD-OE1 3.4Å; R298-E333 WeakPolarHBondContact CD-OE2 3.4Å; R298-E333 WeakPolarHBondContact CG-OE1 3.5Å; R298-E333 IonicContact CZ-OE1 3.4Å; R298-E333 IonicContact CZ-OE2 3.91Å; R298-E333 IonicContact NE-OE1 3.11Å; R298-E333 PolarHBondContact NE-OE1 3.09Å; R298-E333 VanDerWaalsContact NE-OE1 3.11Å; R298-E333 IonicContact NE-OE2 3.89Å; R298-E333 IonicContact NH1-OE1 3.49Å; R298-E333 PolarHBondContact NH1-OE1 2.73Å; R298-E333 IonicContact NH1-OE2 3.28Å; R298-E333 PolarHBondContact NH1-OE2 2.65Å | ||
| 299 | Q | 76.2 | Confident | 67.5 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | trans | -68.3 | 127.6 | -173.6 | -63 | -161.8 | -1.6 | 0 | 0 | 109.3 | G297 R302 H304 G332 E333 | G297-Q299 PolarHBondContact O-N 3.49Å; Q299-R302 VanDerWaalsContact CD-NH2 3.29Å; Q299-H304 PolarHBondContact OE1-CE1 2.87Å; Q299-G332 CarbonylContact O-C 3.46Å; Q299-G332 WeakPolarHBondContact O-CA 3.42Å; Q299-E333 PolarHBondContact O-N 2.96Å | ||
| 300 | V | 85.4 | Confident | 69.8 | Low | 69 Ų | 69 | 97.6 Ų | 97.6 | 42% | 0.418 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -59.5 | 147.2 | 173.2 | 180 | 0 | 0 | 0 | 0 | 109.3 | R298 R302 M342 | R298-V300 PolarHBondContact O-N 2.87Å; V300-R302 PolarHBondContact O-N 2.81Å; V300-M342 HydrophobicContact CG1-CE 3.58Å; V300-M342 HydrophobicContact CG1-CG 3.78Å; V300-M342 HydrophobicContact CG1-SD 3.51Å; V300-M342 VanDerWaalsContact CG1-SD 3.51Å |
| 301 | C | 89.4 | Confident | 72.1 | Confident | 12 Ų | 12 | 97.9 Ų | 97.9 | 8% | 0.081 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -45.6 | 114.2 | 177.4 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | E333 M342 C367 | C301-E333 PolarHBondContact N-O 2.88Å; C301-E333 VanDerWaalsContact N-O 3.15Å; C301-M342 HydrophobicContact CB-SD 4.47Å; C301-C367 WeakPolarHBondContact CA-SG 3.3Å; C301-C367 HydrophobicContact CB-CB 3.69Å; C301-C367 WeakPolarHBondContact CB-SG 3.49Å; C301-C367 VanDerWaalsContact SG-CA 3.51Å; C301-C367 WeakPolarHBondContact SG-CB 3.36Å; C301-C367 CovalentContact SG-SG 2.04Å; C301-C367 PolarHBondContact SG-SG 2.83Å |
| 302 | R | 89.2 | Confident | 74.4 | Confident | 131 Ų | 131 | 97.9 Ų | 97.9 | 49% | 0.494 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 168.9 | -179.6 | 69 | -175.8 | -175 | 153.7 | 5 | 112 | Q299 V300 H304 E331 | Q299-R302 VanDerWaalsContact CD-NH2 3.29Å; V300-R302 PolarHBondContact O-N 2.81Å; R302-H304 WeakPolarHBondContact CG-NE2 3.49Å; R302-H304 PolarHBondContact O-CD2 2.95Å; R302-E331 PolarHBondContact N-O 2.87Å; R302-E331 PolarHBondContact O-N 2.82Å; R302-E331 VanDerWaalsContact O-N 3.15Å |
| 303 | R | 92.3 | Very high | 76.1 | Confident | 112 Ų | 112 | 95.3 Ų | 95.3 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 131.8 | 173.2 | -173.9 | 171.3 | 60.1 | 83.3 | 4.3 | 109.6 | Y328 Y329 V396 K397 C399 | R303-Y328 HydrophobicContact CG-CD1 4.37Å; R303-Y328 HydrophobicContact CG-CG 4.25Å; R303-Y329 CarbonylContact C-O 3.46Å; R303-Y329 WeakPolarHBondContact CA-O 3.34Å; R303-V396 VanDerWaalsContact CD-O 3.24Å; R303-V396 WeakPolarHBondContact CD-O 3.49Å; R303-V396 HydrophobicContact CG-CG1 4.24Å; R303-K397 PolarHBondContact NE-O 3.41Å; R303-C399 VanDerWaalsContact CA-SG 3.52Å |
| 304 | H | 92.8 | Very high | 78.2 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 12% | 0.116 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 153.4 | 178.3 | -63.2 | -96.8 | 0 | 0 | 0 | 110.7 | Q299 R302 Y328 Y329 E331 | Q299-H304 PolarHBondContact OE1-CE1 2.87Å; R302-H304 WeakPolarHBondContact CG-NE2 3.49Å; R302-H304 PolarHBondContact O-CD2 2.95Å; H304-Y328 WeakPolarHBondContact O-CA 3.29Å; H304-Y328 VanDerWaalsContact O-CB 3.28Å; H304-Y328 WeakPolarHBondContact O-CB 3.45Å; H304-Y328 WeakPolarHBondContact O-CD1 3.47Å; H304-Y329 HydrophobicContact CB-CD1 3.84Å; H304-Y329 HydrophobicContact CB-CE1 3.39Å; H304-Y329 HydrophobicContact CB-CE2 4.21Å; H304-Y329 HydrophobicContact CB-CG 4.42Å; H304-Y329 PolarHBondContact N-O 2.8Å; H304-Y329 PolarHBondContact O-N 3.38Å; H304-E331 PolarHBondContact CD2-O 2.83Å; H304-E331 PolarHBondContact NE2-O 3.35Å |
| 305 | E | 93.9 | Very high | 80.6 | Confident | 173 Ų | 173 | 84.4 Ų | 84.4 | 81% | 0.808 | 43% | 0.429 | S | S | * | . | trans | -73.5 | 131.7 | 179.9 | -62.2 | -170.5 | 162.5 | 0 | 0 | 111.3 | Y328 | E305-Y328 HydrophobicContact CG-CD1 4.4Å; E305-Y328 HydrophobicContact CG-CE1 4.2Å | ||
| 306 | L | 92.8 | Very high | 82.5 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 40% | 0.403 | 40% | 0.402 | S | S | . | . | trans | -146.9 | 118.9 | 171.4 | 170.8 | 66.9 | 0 | 0 | 0 | 107.7 | V308 S326 A327 Y328 Y329 | L306-V308 HydrophobicContact CG-CG2 4.49Å; L306-S326 CarbonylContact O-C 3.59Å; L306-S326 WeakPolarHBondContact O-CA 3.4Å; L306-A327 HydrophobicContact CD2-CB 4.25Å; L306-A327 HydrophobicContact CG-CB 4.41Å; L306-A327 PolarHBondContact O-N 3.37Å; L306-Y328 PolarHBondContact O-N 2.84Å; L306-Y328 VanDerWaalsContact O-N 3.14Å; L306-Y329 HydrophobicContact CB-CD1 3.77Å; L306-Y329 HydrophobicContact CB-CE1 4.38Å; L306-Y329 HydrophobicContact CD2-CD1 4.4Å | ||
| 307 | Y | 92.3 | Very high | 84.4 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 51% | 0.51 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.3 | 172.7 | -173.5 | -101.3 | 0 | 0 | 0 | 109.5 | G324 | Y307-G324 VanDerWaalsContact OH-C 3.3Å; Y307-G324 VanDerWaalsContact OH-CA 3.23Å; Y307-G324 WeakPolarHBondContact OH-CA 3.48Å; Y307-G324 PolarHBondContact OH-N 3.07Å; Y307-G324 PolarHBondContact OH-O 2.92Å |
| 308 | V | 90.1 | Very high | 86.3 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 19% | 0.194 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 105.3 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | L306 F310 L313 G324 Y325 A327 | L306-V308 HydrophobicContact CG-CG2 4.49Å; V308-F310 HydrophobicContact CG1-CE1 4.4Å; V308-L313 HydrophobicContact CG1-CD1 4.12Å; V308-G324 CarbonylContact O-C 3.57Å; V308-G324 WeakPolarHBondContact O-CA 3.36Å; V308-Y325 HydrophobicContact CB-CD1 4.15Å; V308-Y325 HydrophobicContact CB-CE1 3.73Å; V308-Y325 HydrophobicContact CG1-CE1 3.88Å; V308-Y325 HydrophobicContact CG2-CE1 4.28Å; V308-Y325 PolarHBondContact N-O 2.95Å; V308-Y325 PolarHBondContact O-N 3.47Å; V308-A327 HydrophobicContact CG2-CB 3.81Å |
| 309 | S | 89.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.2 | 174.9 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | Q311 D312 L313 | S309-Q311 PolarHBondContact O-N 3.44Å; S309-Q311 WeakPolarHBondContact OG-CB 3.25Å; S309-Q311 PolarHBondContact OG-N 2.95Å; S309-D312 WeakPolarHBondContact CB-OD2 3.25Å; S309-D312 PolarHBondContact O-N 3.37Å; S309-D312 PolarHBondContact OG-N 2.94Å; S309-L313 PolarHBondContact O-N 3.11Å |
| 310 | F | 89.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15.8 | 173 | -61.3 | -39.4 | 0 | 0 | 0 | 112.4 | V308 L313 G314 W315 L316 V319 P322 Q323 Y325 V377 | V308-F310 HydrophobicContact CG1-CE1 4.4Å; F310-L313 HydrophobicContact CD1-CD1 4.23Å; F310-G314 PolarHBondContact O-N 2.89Å; F310-W315 HydrophobicContact CB-CB 4.25Å; F310-W315 AromaticContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CZ3 4.33Å; F310-W315 HydrophobicContact CE1-CE3 4.22Å; F310-W315 HydrophobicContact CE1-CZ3 4.34Å; F310-W315 PolarHBondContact O-N 3.17Å; F310-L316 HydrophobicContact CB-CD2 3.96Å; F310-V319 HydrophobicContact CD2-CB 4.47Å; F310-V319 HydrophobicContact CD2-CG1 3.7Å; F310-V319 HydrophobicContact CE2-CG1 4.01Å; F310-V319 HydrophobicContact CG-CG1 4.48Å; F310-P322 WeakPolarHBondContact CD2-O 3.23Å; F310-P322 HydrophobicContact CE2-CG 4.01Å; F310-P322 WeakPolarHBondContact CE2-O 3.18Å; F310-Q323 WeakPolarHBondContact CB-O 3.44Å; F310-Q323 PolarHBondContact N-O 3.22Å; F310-Y325 HydrophobicContact CE1-CD1 4.27Å; F310-Y325 HydrophobicContact CE1-CE1 4.12Å; F310-Y325 AromaticContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CE1 4.08Å; F310-V377 HydrophobicContact CE2-CG1 4.47Å; F310-V377 HydrophobicContact CZ-CG2 4.23Å |
| 311 | Q | 86.6 | Confident | 88.7 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -45.8 | 168.6 | -166.7 | 175.1 | 31.2 | 0 | 0 | 111.5 | S309 L313 G314 L316 | S309-Q311 PolarHBondContact O-N 3.44Å; S309-Q311 WeakPolarHBondContact OG-CB 3.25Å; S309-Q311 PolarHBondContact OG-N 2.95Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.96Å; Q311-G314 WeakPolarHBondContact O-CA 2.99Å; Q311-G314 PolarHBondContact O-N 3.01Å; Q311-L316 HydrophobicContact CB-CD1 3.75Å; Q311-L316 HydrophobicContact CB-CG 4.23Å; Q311-L316 HydrophobicContact CG-CD1 3.76Å |
| 312 | D | 85.4 | Confident | 88.9 | Confident | 134 Ų | 134 | 58.2 Ų | 58.2 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -29.5 | -177.6 | -62.8 | -17.3 | 0 | 0 | 0 | 111.9 | S309 | S309-D312 WeakPolarHBondContact CB-OD2 3.25Å; S309-D312 PolarHBondContact O-N 3.37Å; S309-D312 PolarHBondContact OG-N 2.94Å |
| 313 | L | 82.4 | Confident | 88.9 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 28% | 0.277 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.5 | 171.3 | -60.2 | -179.3 | 0 | 0 | 0 | 112.7 | I48 V308 S309 F310 Q311 W315 | I48-L313 HydrophobicContact CD1-CD2 4.11Å; V308-L313 HydrophobicContact CG1-CD1 4.12Å; S309-L313 PolarHBondContact O-N 3.11Å; F310-L313 HydrophobicContact CD1-CD1 4.23Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 2.96Å; L313-W315 HydrophobicContact CB-CD2 3.77Å; L313-W315 HydrophobicContact CB-CE3 4.33Å; L313-W315 HydrophobicContact CB-CG 3.85Å; L313-W315 HydrophobicContact CD1-CD2 4.1Å; L313-W315 HydrophobicContact CD1-CE3 3.86Å; L313-W315 HydrophobicContact CD1-CH2 4.07Å; L313-W315 HydrophobicContact CD1-CZ2 4.23Å; L313-W315 HydrophobicContact CD1-CZ3 3.81Å; L313-W315 PolarHBondContact O-NE1 2.88Å |
| 314 | G | 83.3 | Confident | 88.8 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 41.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R57 F310 Q311 D317 | R57-G314 PolarHBondContact NH1-O 3.15Å; R57-G314 PolarHBondContact NH2-O 3.24Å; F310-G314 PolarHBondContact O-N 2.89Å; Q311-G314 WeakPolarHBondContact O-CA 2.99Å; Q311-G314 PolarHBondContact O-N 3.01Å; G314-D317 VanDerWaalsContact O-OD1 3.09Å |
| 315 | W | 87.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | trans | -107.3 | -0.5 | -174.8 | -68.3 | 1.8 | 0 | 0 | 0 | 114.2 | I48 L49 L52 F310 L313 D317 W318 V319 | I48-W315 HydrophobicContact CB-CH2 3.95Å; I48-W315 HydrophobicContact CB-CZ2 4.32Å; I48-W315 HydrophobicContact CG2-CH2 3.35Å; I48-W315 HydrophobicContact CG2-CZ2 4.14Å; I48-W315 HydrophobicContact CG2-CZ3 4.08Å; L49-W315 HydrophobicContact CD2-CH2 4.08Å; L49-W315 HydrophobicContact CD2-CZ2 3.82Å; L49-W315 HydrophobicContact CG-CH2 4.43Å; L49-W315 HydrophobicContact CG-CZ2 4.03Å; L52-W315 HydrophobicContact CD1-CE3 4.38Å; L52-W315 HydrophobicContact CD1-CH2 3.74Å; L52-W315 HydrophobicContact CD1-CZ3 3.35Å; F310-W315 HydrophobicContact CB-CB 4.25Å; F310-W315 AromaticContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CE3 3.82Å; F310-W315 HydrophobicContact CD1-CZ3 4.33Å; F310-W315 HydrophobicContact CE1-CE3 4.22Å; F310-W315 HydrophobicContact CE1-CZ3 4.34Å; F310-W315 PolarHBondContact O-N 3.17Å; L313-W315 HydrophobicContact CB-CD2 3.77Å; L313-W315 HydrophobicContact CB-CE3 4.33Å; L313-W315 HydrophobicContact CB-CG 3.85Å; L313-W315 HydrophobicContact CD1-CD2 4.1Å; L313-W315 HydrophobicContact CD1-CE3 3.86Å; L313-W315 HydrophobicContact CD1-CH2 4.07Å; L313-W315 HydrophobicContact CD1-CZ2 4.23Å; L313-W315 HydrophobicContact CD1-CZ3 3.81Å; L313-W315 PolarHBondContact O-NE1 2.88Å; W315-D317 VanDerWaalsContact C-OD1 3.23Å; W315-D317 WeakPolarHBondContact CA-OD1 3.29Å; W315-D317 PolarHBondContact O-N 2.93Å; W315-W318 HydrophobicContact CB-CZ2 3.9Å; W315-W318 AromaticContact CD1-NE1 3.84Å; W315-W318 HydrophobicContact CD2-CH2 4.45Å; W315-W318 AromaticContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CE3-CH2 4.14Å; W315-W318 AromaticContact CE3-CZ2 3.65Å; W315-W318 HydrophobicContact CE3-CZ2 3.65Å; W315-W318 AromaticContact CG-CE2 3.9Å; W315-W318 AromaticContact CG-CZ2 3.67Å; W315-W318 HydrophobicContact CG-CZ2 3.67Å; W315-W318 AromaticContact CG-NE1 3.63Å; W315-W318 HydrophobicContact CZ3-CZ2 4.29Å; W315-W318 PolarHBondContact O-N 3.37Å; W315-W318 VanDerWaalsContact O-N 3.12Å; W315-V319 HydrophobicContact CB-CG2 4.01Å; W315-V319 WeakPolarHBondContact O-CB 3.29Å; W315-V319 PolarHBondContact O-N 3.33Å | ||
| 316 | L | 84.3 | Confident | 88.7 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.7 | 178 | -58.3 | -172.1 | 0 | 0 | 0 | 114.2 | F310 Q311 W318 | F310-L316 HydrophobicContact CB-CD2 3.96Å; Q311-L316 HydrophobicContact CB-CD1 3.75Å; Q311-L316 HydrophobicContact CB-CG 4.23Å; Q311-L316 HydrophobicContact CG-CD1 3.76Å; L316-W318 VanDerWaalsContact C-N 3.34Å |
| 317 | D | 83.3 | Confident | 88.7 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29.5 | 173.3 | 56.5 | -48.9 | 0 | 0 | 0 | 112.7 | R57 A65 G314 W315 | R57-D317 IonicContact CZ-OD1 2.65Å; R57-D317 IonicContact CZ-OD2 3.56Å; R57-D317 IonicContact NE-OD1 3.01Å; R57-D317 IonicContact NE-OD2 3.77Å; R57-D317 PolarHBondContact NE-OD2 3.35Å; R57-D317 IonicContact NH2-OD1 3.55Å; R57-D317 PolarHBondContact NH2-OD1 3.27Å; R57-D317 IonicContact NH2-OD2 2.73Å; R57-D317 PolarHBondContact NH2-OD2 2.9Å; A65-D317 PolarHBondContact N-O 3.09Å; G314-D317 VanDerWaalsContact O-OD1 3.09Å; W315-D317 VanDerWaalsContact C-OD1 3.23Å; W315-D317 WeakPolarHBondContact CA-OD1 3.29Å; W315-D317 PolarHBondContact O-N 2.93Å |
| 318 | W | 87.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | -24.9 | -176.9 | 62.6 | -86.5 | 0 | 0 | 0 | 114 | L49 L54 P58 P60 W315 L316 Y379 Y380 | L49-W318 HydrophobicContact CD2-CZ2 4.31Å; L54-W318 HydrophobicContact CD1-CH2 3.42Å; L54-W318 VanDerWaalsContact CD1-CH2 3.42Å; L54-W318 HydrophobicContact CD1-CZ2 4.33Å; L54-W318 HydrophobicContact CD1-CZ3 3.59Å; P58-W318 HydrophobicContact CB-CB 4.32Å; P58-W318 HydrophobicContact CB-CD2 4.38Å; P58-W318 HydrophobicContact CB-CE3 4.34Å; P58-W318 HydrophobicContact CB-CG 4.34Å; P58-W318 HydrophobicContact CG-CD2 4.03Å; P58-W318 HydrophobicContact CG-CE3 3.7Å; P58-W318 HydrophobicContact CG-CG 4.5Å; P58-W318 HydrophobicContact CG-CZ3 4.19Å; P60-W318 HydrophobicContact CG-CB 3.77Å; W315-W318 HydrophobicContact CB-CZ2 3.9Å; W315-W318 AromaticContact CD1-NE1 3.84Å; W315-W318 HydrophobicContact CD2-CH2 4.45Å; W315-W318 AromaticContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CD2-CZ2 3.53Å; W315-W318 HydrophobicContact CE3-CH2 4.14Å; W315-W318 AromaticContact CE3-CZ2 3.65Å; W315-W318 HydrophobicContact CE3-CZ2 3.65Å; W315-W318 AromaticContact CG-CE2 3.9Å; W315-W318 AromaticContact CG-CZ2 3.67Å; W315-W318 HydrophobicContact CG-CZ2 3.67Å; W315-W318 AromaticContact CG-NE1 3.63Å; W315-W318 HydrophobicContact CZ3-CZ2 4.29Å; W315-W318 PolarHBondContact O-N 3.37Å; W315-W318 VanDerWaalsContact O-N 3.12Å; L316-W318 VanDerWaalsContact C-N 3.34Å; W318-Y379 AromaticContact CE3-CD2 3.74Å; W318-Y379 HydrophobicContact CE3-CD2 3.74Å; W318-Y379 AromaticContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CZ3-CD1 4.27Å; W318-Y379 AromaticContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CE2 4.39Å; W318-Y379 AromaticContact CZ3-CG 3.59Å; W318-Y379 HydrophobicContact CZ3-CG 3.59Å; W318-Y379 CarbonylContact O-C 3.58Å; W318-Y379 WeakPolarHBondContact O-CA 3.41Å; W318-Y379 WeakPolarHBondContact O-CB 3.37Å; W318-Y380 PolarHBondContact O-N 2.79Å |
| 319 | V | 90 | Very high | 89 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.3 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | F310 W315 V377 | F310-V319 HydrophobicContact CD2-CB 4.47Å; F310-V319 HydrophobicContact CD2-CG1 3.7Å; F310-V319 HydrophobicContact CE2-CG1 4.01Å; F310-V319 HydrophobicContact CG-CG1 4.48Å; W315-V319 HydrophobicContact CB-CG2 4.01Å; W315-V319 WeakPolarHBondContact O-CB 3.29Å; W315-V319 PolarHBondContact O-N 3.33Å; V319-V377 HydrophobicContact CG1-CG1 4.09Å |
| 320 | I | 90.4 | Very high | 89.2 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 19% | 0.185 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -48.7 | 178.3 | -54.7 | 176.1 | 0 | 0 | 0 | 109.9 | A65 L78 L378 Y380 V386 | A65-I320 HydrophobicContact CB-CG1 4.46Å; L78-I320 HydrophobicContact CD1-CG2 4.44Å; I320-L378 HydrophobicContact CB-CB 4.42Å; I320-L378 HydrophobicContact CB-CD2 3.95Å; I320-L378 HydrophobicContact CB-CG 3.99Å; I320-L378 HydrophobicContact CD1-CD2 4.38Å; I320-L378 HydrophobicContact CD1-CG 4.19Å; I320-L378 HydrophobicContact CG2-CD2 3.77Å; I320-L378 HydrophobicContact CG2-CG 4.38Å; I320-L378 PolarHBondContact N-O 3.03Å; I320-Y380 HydrophobicContact CD1-CD2 3.8Å; I320-Y380 HydrophobicContact CD1-CE1 4.28Å; I320-Y380 HydrophobicContact CD1-CE2 3.44Å; I320-Y380 VanDerWaalsContact CD1-CE2 3.44Å; I320-Y380 HydrophobicContact CD1-CG 4.35Å; I320-Y380 HydrophobicContact CG1-CD2 3.83Å; I320-Y380 HydrophobicContact CG1-CE2 3.65Å; I320-V386 HydrophobicContact CD1-CG1 3.75Å; I320-V386 HydrophobicContact CD1-CG2 4.16Å |
| 321 | A | 91.9 | Very high | 89.3 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 152.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L78 Y81 L378 | L78-A321 HydrophobicContact CD1-CB 4.22Å; Y81-A321 HydrophobicContact CD1-CB 3.88Å; Y81-A321 HydrophobicContact CE1-CB 3.65Å; Y81-A321 HydrophobicContact CG-CB 4.47Å; A321-L378 HydrophobicContact CB-CB 4.25Å; A321-L378 HydrophobicContact CB-CD2 4.45Å; A321-L378 PolarHBondContact N-O 2.91Å; A321-L378 VanDerWaalsContact N-O 3.16Å; A321-L378 PolarHBondContact O-N 2.85Å |
| 322 | P | 92.5 | Very high | 89.4 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | cis | -69 | 179 | -13.9 | 31.2 | -34.5 | 0 | 0 | 0 | 111 | Y81 F310 G324 S376 | Y81-P322 WeakPolarHBondContact OH-CB 3.16Å; Y81-P322 WeakPolarHBondContact OH-CD 3.32Å; F310-P322 WeakPolarHBondContact CD2-O 3.23Å; F310-P322 HydrophobicContact CE2-CG 4.01Å; F310-P322 WeakPolarHBondContact CE2-O 3.18Å; P322-G324 VanDerWaalsContact C-N 3.26Å; P322-G324 WeakPolarHBondContact CB-O 3.38Å; P322-S376 WeakPolarHBondContact CD-O 3.19Å | ||
| 323 | Q | 90 | Very high | 89.4 | Confident | 110 Ų | 110 | 39.2 Ų | 39.2 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -77.5 | -18 | 170.3 | -65 | -64 | -38.8 | 0 | 0 | 112.5 | F310 | F310-Q323 WeakPolarHBondContact CB-O 3.44Å; F310-Q323 PolarHBondContact N-O 3.22Å |
| 324 | G | 90.5 | Very high | 89.6 | Confident | 10 Ų | 10 | 37 Ų | 37 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | 171 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y307 V308 P322 | Y307-G324 VanDerWaalsContact OH-C 3.3Å; Y307-G324 VanDerWaalsContact OH-CA 3.23Å; Y307-G324 WeakPolarHBondContact OH-CA 3.48Å; Y307-G324 PolarHBondContact OH-N 3.07Å; Y307-G324 PolarHBondContact OH-O 2.92Å; V308-G324 CarbonylContact O-C 3.57Å; V308-G324 WeakPolarHBondContact O-CA 3.36Å; P322-G324 VanDerWaalsContact C-N 3.26Å; P322-G324 WeakPolarHBondContact CB-O 3.38Å |
| 325 | Y | 91.8 | Very high | 89.5 | Confident | 32 Ų | 32 | 38.1 Ų | 38.1 | 13% | 0.125 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 153.1 | -177.4 | 72 | -80.2 | 0 | 0 | 0 | 111.7 | V308 F310 A327 T375 M394 V395 | V308-Y325 HydrophobicContact CB-CD1 4.15Å; V308-Y325 HydrophobicContact CB-CE1 3.73Å; V308-Y325 HydrophobicContact CG1-CE1 3.88Å; V308-Y325 HydrophobicContact CG2-CE1 4.28Å; V308-Y325 PolarHBondContact N-O 2.95Å; V308-Y325 PolarHBondContact O-N 3.47Å; F310-Y325 HydrophobicContact CE1-CD1 4.27Å; F310-Y325 HydrophobicContact CE1-CE1 4.12Å; F310-Y325 AromaticContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CD1 3.89Å; F310-Y325 HydrophobicContact CZ-CE1 4.08Å; Y325-A327 HydrophobicContact CD2-CB 4.18Å; Y325-A327 HydrophobicContact CE2-CB 3.5Å; Y325-A327 PolarHBondContact O-N 2.92Å; Y325-T375 HydrophobicContact CD2-CG2 4.28Å; Y325-T375 HydrophobicContact CE2-CG2 4.35Å; Y325-T375 HydrophobicContact CG-CG2 4.48Å; Y325-M394 HydrophobicContact CE2-CB 4.39Å; Y325-M394 VanDerWaalsContact OH-CE 3.31Å; Y325-M394 WeakPolarHBondContact OH-CE 3.3Å; Y325-V395 HydrophobicContact CD2-CG2 3.72Å; Y325-V395 HydrophobicContact CE2-CG2 3.97Å |
| 326 | S | 92.6 | Very high | 88.7 | Confident | 50 Ų | 50 | 42.5 Ų | 42.5 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 95.9 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | L306 Y328 V395 | L306-S326 CarbonylContact O-C 3.59Å; L306-S326 WeakPolarHBondContact O-CA 3.4Å; S326-Y328 VanDerWaalsContact CB-CE2 3.49Å; S326-Y328 VanDerWaalsContact O-CD2 3.28Å; S326-Y328 WeakPolarHBondContact O-CD2 3.09Å; S326-Y328 WeakPolarHBondContact O-CE2 3.34Å; S326-V395 WeakPolarHBondContact O-CG1 3.5Å |
| 327 | A | 92.4 | Very high | 88.2 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 24% | 0.242 | C | C | . | . | trans | -73.3 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L306 V308 Y325 V395 V396 | L306-A327 HydrophobicContact CD2-CB 4.25Å; L306-A327 HydrophobicContact CG-CB 4.41Å; L306-A327 PolarHBondContact O-N 3.37Å; V308-A327 HydrophobicContact CG2-CB 3.81Å; Y325-A327 HydrophobicContact CD2-CB 4.18Å; Y325-A327 HydrophobicContact CE2-CB 3.5Å; Y325-A327 PolarHBondContact O-N 2.92Å; A327-V395 WeakPolarHBondContact O-CA 3.46Å; A327-V396 PolarHBondContact O-N 3.45Å | ||
| 328 | Y | 94.9 | Very high | 87.7 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | trans | 57.4 | 166.5 | -168 | -51 | -83.1 | 0 | 0 | 0 | 113.1 | R303 H304 E305 L306 S326 V395 | R303-Y328 HydrophobicContact CG-CD1 4.37Å; R303-Y328 HydrophobicContact CG-CG 4.25Å; H304-Y328 WeakPolarHBondContact O-CA 3.29Å; H304-Y328 VanDerWaalsContact O-CB 3.28Å; H304-Y328 WeakPolarHBondContact O-CB 3.45Å; H304-Y328 WeakPolarHBondContact O-CD1 3.47Å; E305-Y328 HydrophobicContact CG-CD1 4.4Å; E305-Y328 HydrophobicContact CG-CE1 4.2Å; L306-Y328 PolarHBondContact O-N 2.84Å; L306-Y328 VanDerWaalsContact O-N 3.14Å; S326-Y328 VanDerWaalsContact CB-CE2 3.49Å; S326-Y328 VanDerWaalsContact O-CD2 3.28Å; S326-Y328 WeakPolarHBondContact O-CD2 3.09Å; S326-Y328 WeakPolarHBondContact O-CE2 3.34Å; Y328-V395 HydrophobicContact CD2-CG1 4.1Å; Y328-V395 HydrophobicContact CE2-CG1 4.37Å | ||
| 329 | Y | 94.2 | Very high | 86.5 | Confident | 90 Ų | 90 | 45.2 Ų | 45.2 | 35% | 0.353 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 164.4 | 172.8 | 72.6 | -75.8 | 0 | 0 | 0 | 111.4 | R303 H304 L306 E331 | R303-Y329 CarbonylContact C-O 3.46Å; R303-Y329 WeakPolarHBondContact CA-O 3.34Å; H304-Y329 HydrophobicContact CB-CD1 3.84Å; H304-Y329 HydrophobicContact CB-CE1 3.39Å; H304-Y329 HydrophobicContact CB-CE2 4.21Å; H304-Y329 HydrophobicContact CB-CG 4.42Å; H304-Y329 PolarHBondContact N-O 2.8Å; H304-Y329 PolarHBondContact O-N 3.38Å; L306-Y329 HydrophobicContact CB-CD1 3.77Å; L306-Y329 HydrophobicContact CB-CE1 4.38Å; L306-Y329 HydrophobicContact CD2-CD1 4.4Å; Y329-E331 HydrophobicContact CD2-CB 4.04Å; Y329-E331 HydrophobicContact CE2-CB 3.56Å; Y329-E331 HydrophobicContact CE2-CG 4.38Å; Y329-E331 WeakPolarHBondContact CE2-OE2 3.16Å; Y329-E331 PolarHBondContact OH-OE2 2.67Å |
| 330 | C | 92.4 | Very high | 85.2 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.5 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | A368 P369 C399 | C330-A368 VanDerWaalsContact SG-C 3.56Å; C330-P369 VanDerWaalsContact SG-CA 3.56Å; C330-P369 VanDerWaalsContact SG-N 3.42Å; C330-C399 WeakPolarHBondContact CA-SG 3.38Å; C330-C399 HydrophobicContact CB-CB 3.81Å; C330-C399 WeakPolarHBondContact CB-SG 3.36Å; C330-C399 VanDerWaalsContact SG-CA 3.56Å; C330-C399 WeakPolarHBondContact SG-CB 3.44Å; C330-C399 CovalentContact SG-SG 2.03Å; C330-C399 PolarHBondContact SG-SG 2.86Å |
| 331 | E | 91.9 | Very high | 83.8 | Confident | 100 Ų | 100 | 54.2 Ų | 54.2 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 147.2 | 176.4 | 169 | 176.4 | -149.4 | 0 | 0 | 109.9 | R302 H304 Y329 | R302-E331 PolarHBondContact N-O 2.87Å; R302-E331 PolarHBondContact O-N 2.82Å; R302-E331 VanDerWaalsContact O-N 3.15Å; H304-E331 PolarHBondContact CD2-O 2.83Å; H304-E331 PolarHBondContact NE2-O 3.35Å; Y329-E331 HydrophobicContact CD2-CB 4.04Å; Y329-E331 HydrophobicContact CE2-CB 3.56Å; Y329-E331 HydrophobicContact CE2-CG 4.38Å; Y329-E331 WeakPolarHBondContact CE2-OE2 3.16Å; Y329-E331 PolarHBondContact OH-OE2 2.67Å |
| 332 | G | 88.4 | Confident | 82.7 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 139.1 | 172.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q299 | Q299-G332 CarbonylContact O-C 3.46Å; Q299-G332 WeakPolarHBondContact O-CA 3.42Å |
| 333 | E | 86.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 27% | 0.271 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -87.8 | 139.9 | 179.4 | -66.1 | -164.6 | -176.1 | 0 | 0 | 111.8 | R298 Q299 C301 | R298-E333 HydrophobicContact CB-CG 4.42Å; R298-E333 VanDerWaalsContact CD-CD 3.47Å; R298-E333 WeakPolarHBondContact CD-OE1 3.4Å; R298-E333 WeakPolarHBondContact CD-OE2 3.4Å; R298-E333 WeakPolarHBondContact CG-OE1 3.5Å; R298-E333 IonicContact CZ-OE1 3.4Å; R298-E333 IonicContact CZ-OE2 3.91Å; R298-E333 IonicContact NE-OE1 3.11Å; R298-E333 PolarHBondContact NE-OE1 3.09Å; R298-E333 VanDerWaalsContact NE-OE1 3.11Å; R298-E333 IonicContact NE-OE2 3.89Å; R298-E333 IonicContact NH1-OE1 3.49Å; R298-E333 PolarHBondContact NH1-OE1 2.73Å; R298-E333 IonicContact NH1-OE2 3.28Å; R298-E333 PolarHBondContact NH1-OE2 2.65Å; Q299-E333 PolarHBondContact O-N 2.96Å; C301-E333 PolarHBondContact N-O 2.88Å; C301-E333 VanDerWaalsContact N-O 3.15Å |
| 334 | C | 86.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 54 Ų | 54 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | trans | -105.6 | 76.1 | 170.5 | -69.2 | 0 | 0 | 0 | 0 | 108.9 | L338 A365 C401 | C334-L338 HydrophobicContact CB-CD2 4.02Å; C334-A365 HydrophobicContact CB-CB 3.97Å; C334-A365 WeakPolarHBondContact CB-O 3.48Å; C334-C401 HydrophobicContact CB-CB 3.77Å; C334-C401 WeakPolarHBondContact CB-SG 3.38Å; C334-C401 VanDerWaalsContact SG-CA 3.6Å; C334-C401 WeakPolarHBondContact SG-CB 3.39Å; C334-C401 CovalentContact SG-SG 2.03Å; C334-C401 PolarHBondContact SG-SG 3.25Å | ||
| 335 | S | 80.2 | Confident | 81.2 | Confident | 57 Ų | 57 | 56 Ų | 56 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -99.5 | 139.1 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | P337 | S335-P337 CarbonylContact O-C 3.44Š|
| 336 | F | 72.2 | Confident | 80.9 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -66.6 | 143.2 | 173.2 | -172.8 | -88.3 | 0 | 0 | 0 | 111 | L353 L356 | F336-L353 HydrophobicContact CD1-CD2 4.39Å; F336-L353 HydrophobicContact CD2-CD2 3.77Å; F336-L353 HydrophobicContact CD2-CG 4.17Å; F336-L353 HydrophobicContact CE1-CD2 4.16Å; F336-L353 HydrophobicContact CE2-CD2 3.51Å; F336-L353 HydrophobicContact CE2-CG 4.05Å; F336-L353 HydrophobicContact CG-CD2 4.22Å; F336-L353 HydrophobicContact CZ-CD2 3.73Å; F336-L356 HydrophobicContact CB-CD1 3.84Å; F336-L356 HydrophobicContact CD1-CD1 3.98Å; F336-L356 HydrophobicContact CG-CD1 4.05Å |
| 337 | P | 73.9 | Confident | 80.7 | Confident | 98 Ų | 98 | 64.3 Ų | 64.3 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | S | Bend | cis | -70.9 | 128.1 | -3.2 | 28.3 | -32.8 | 0 | 0 | 0 | 112 | S335 G339 | S335-P337 CarbonylContact O-C 3.44Å; P337-G339 VanDerWaalsContact C-N 3.29Å; P337-G339 PolarHBondContact O-N 3.16Å |
| 338 | L | 70.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | trans | -71 | 92 | 173 | -63.9 | 178.9 | 0 | 0 | 0 | 107.3 | C334 M342 A344 A348 I349 C401 | C334-L338 HydrophobicContact CB-CD2 4.02Å; L338-M342 HydrophobicContact CD2-CE 4.3Å; L338-M342 HydrophobicContact CD2-SD 3.96Å; L338-A344 HydrophobicContact CB-CB 3.97Å; L338-A344 HydrophobicContact CD1-CB 3.62Å; L338-A344 HydrophobicContact CG-CB 4.39Å; L338-A348 HydrophobicContact CD1-CB 4.35Å; L338-I349 HydrophobicContact CD1-CG1 4.03Å; L338-C401 HydrophobicContact CD1-CB 4.32Å; L338-C401 HydrophobicContact CD2-CB 4.27Å | ||
| 339 | G | 63.1 | Low | 80 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | trans | -57.3 | 157.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P337 C341 M342 | P337-G339 VanDerWaalsContact C-N 3.29Å; P337-G339 PolarHBondContact O-N 3.16Å; G339-C341 PolarHBondContact O-N 3.37Å; G339-M342 PolarHBondContact O-N 2.91Å | ||
| 340 | S | 61.6 | Low | 79.7 | Confident | 123 Ų | 123 | 64.6 Ų | 64.6 | 86% | 0.86 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -56.1 | -17.3 | -178.6 | -172.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 341 | C | 61.2 | Low | 79.5 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 71% | 0.709 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -76.1 | -14.1 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | G339 | G339-C341 PolarHBondContact O-N 3.37Š|
| 342 | M | 68.9 | Low | 79.1 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 5% | 0.054 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -94.8 | 7.2 | -174 | -66.3 | -166.2 | -120.1 | 0 | 0 | 114.4 | V300 C301 L338 G339 A344 G400 C401 | V300-M342 HydrophobicContact CG1-CE 3.58Å; V300-M342 HydrophobicContact CG1-CG 3.78Å; V300-M342 HydrophobicContact CG1-SD 3.51Å; V300-M342 VanDerWaalsContact CG1-SD 3.51Å; C301-M342 HydrophobicContact CB-SD 4.47Å; L338-M342 HydrophobicContact CD2-CE 4.3Å; L338-M342 HydrophobicContact CD2-SD 3.96Å; G339-M342 PolarHBondContact O-N 2.91Å; M342-A344 PolarHBondContact O-N 2.59Å; M342-G400 CarbonylContact O-C 3.49Å; M342-G400 WeakPolarHBondContact O-CA 3.5Å; M342-C401 PolarHBondContact O-N 2.85Å |
| 343 | N | 76.8 | Confident | 79 | Confident | 98 Ų | 98 | 63 Ų | 63 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | trans | 40.9 | 44.2 | 179.5 | -72.2 | -23.1 | 0 | 0 | 0 | 113 | T370 | N343-T370 HydrophobicContact CB-CG2 4.46Š| ||
| 344 | A | 82.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 63 Ų | 63 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | trans | -76.4 | 138.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L338 M342 I349 C401 | L338-A344 HydrophobicContact CB-CB 3.97Å; L338-A344 HydrophobicContact CD1-CB 3.62Å; L338-A344 HydrophobicContact CG-CB 4.39Å; M342-A344 PolarHBondContact O-N 2.59Å; A344-I349 HydrophobicContact CB-CG1 4.1Å; A344-C401 WeakPolarHBondContact CA-O 3.48Å; A344-C401 HydrophobicContact CB-CB 4.18Å | ||
| 345 | T | 83.4 | Confident | 79.2 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | trans | -74.3 | 156.3 | 171.4 | 64 | 0 | 0 | 0 | 0 | 111 | H347 A348 I349 C401 H402 | T345-H347 PolarHBondContact O-N 2.9Å; T345-A348 WeakPolarHBondContact O-CB 3.48Å; T345-A348 PolarHBondContact O-N 2.83Å; T345-A348 WeakPolarHBondContact OG1-CB 3.17Å; T345-A348 PolarHBondContact OG1-N 3.35Å; T345-A348 VanDerWaalsContact OG1-N 3.1Å; T345-I349 WeakPolarHBondContact O-CG1 3.36Å; T345-I349 PolarHBondContact O-N 3.28Å; T345-C401 PolarHBondContact N-O 3.07Å; T345-H402 WeakPolarHBondContact CG2-ND1 3.49Å | ||
| 346 | N | 85.8 | Confident | 79.6 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 70% | 0.695 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.5 | -36.8 | 172.1 | -68.3 | -13.8 | 0 | 0 | 0 | 111.7 | I349 L350 | N346-I349 PolarHBondContact O-N 3.03Å; N346-L350 WeakPolarHBondContact O-CD1 3.49Å; N346-L350 PolarHBondContact O-N 2.84Å |
| 347 | H | 87.3 | Confident | 80.4 | Confident | 126 Ų | 126 | 69.7 Ų | 69.7 | 58% | 0.583 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 173.9 | -179.7 | -86.4 | 0 | 0 | 0 | 111.9 | T345 I349 L350 Q351 | T345-H347 PolarHBondContact O-N 2.9Å; H347-I349 VanDerWaalsContact C-N 3.32Å; H347-I349 PolarHBondContact O-N 3.4Å; H347-L350 PolarHBondContact O-N 2.92Å; H347-Q351 PolarHBondContact CE1-OE1 2.94Å; H347-Q351 VanDerWaalsContact CE1-OE1 3.26Å; H347-Q351 VanDerWaalsContact O-CB 3.3Å; H347-Q351 WeakPolarHBondContact O-CB 3.34Å; H347-Q351 PolarHBondContact O-N 2.82Å |
| 348 | A | 87.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L338 T345 S352 A365 C401 | L338-A348 HydrophobicContact CD1-CB 4.35Å; T345-A348 WeakPolarHBondContact O-CB 3.48Å; T345-A348 PolarHBondContact O-N 2.83Å; T345-A348 WeakPolarHBondContact OG1-CB 3.17Å; T345-A348 PolarHBondContact OG1-N 3.35Å; T345-A348 VanDerWaalsContact OG1-N 3.1Å; A348-S352 VanDerWaalsContact O-CB 3.29Å; A348-S352 WeakPolarHBondContact O-CB 3.49Å; A348-S352 PolarHBondContact O-N 3.37Å; A348-S352 PolarHBondContact O-OG 3.18Å; A348-A365 HydrophobicContact CB-CB 4.16Å; A348-C401 WeakPolarHBondContact CB-O 3.27Å |
| 349 | I | 85.5 | Confident | 81.9 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 29% | 0.292 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -52.2 | 174.3 | -63.7 | 167.4 | 0 | 0 | 0 | 110 | L338 A344 T345 N346 H347 Q351 S352 L353 | L338-I349 HydrophobicContact CD1-CG1 4.03Å; A344-I349 HydrophobicContact CB-CG1 4.1Å; T345-I349 WeakPolarHBondContact O-CG1 3.36Å; T345-I349 PolarHBondContact O-N 3.28Å; N346-I349 PolarHBondContact O-N 3.03Å; H347-I349 VanDerWaalsContact C-N 3.32Å; H347-I349 PolarHBondContact O-N 3.4Å; I349-Q351 PolarHBondContact O-N 3.02Å; I349-S352 PolarHBondContact O-N 3.14Å; I349-L353 HydrophobicContact CG2-CD1 4.25Å; I349-L353 WeakPolarHBondContact O-CG 3.26Å; I349-L353 PolarHBondContact O-N 3.36Å |
| 350 | L | 87.9 | Confident | 83.3 | Confident | 111 Ų | 111 | 77.1 Ų | 77.1 | 58% | 0.581 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 176.4 | -97.2 | 128.4 | 0 | 0 | 0 | 111.8 | N346 H347 S352 L353 V354 | N346-L350 WeakPolarHBondContact O-CD1 3.49Å; N346-L350 PolarHBondContact O-N 2.84Å; H347-L350 PolarHBondContact O-N 2.92Å; L350-S352 VanDerWaalsContact C-N 3.28Å; L350-S352 PolarHBondContact O-N 2.62Å; L350-L353 PolarHBondContact O-N 2.91Å; L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 2.89Å |
| 351 | Q | 87.4 | Confident | 84.7 | Confident | 38 Ų | 38 | 75.1 Ų | 75.1 | 18% | 0.178 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 177.5 | -176.3 | 179.6 | -34.2 | 0 | 0 | 111.4 | H347 I349 V354 H355 V362 P363 K364 | H347-Q351 PolarHBondContact CE1-OE1 2.94Å; H347-Q351 VanDerWaalsContact CE1-OE1 3.26Å; H347-Q351 VanDerWaalsContact O-CB 3.3Å; H347-Q351 WeakPolarHBondContact O-CB 3.34Å; H347-Q351 PolarHBondContact O-N 2.82Å; I349-Q351 PolarHBondContact O-N 3.02Å; Q351-V354 PolarHBondContact O-N 3.4Å; Q351-H355 WeakPolarHBondContact O-CB 3.36Å; Q351-H355 PolarHBondContact O-N 3.2Å; Q351-V362 HydrophobicContact CG-CG1 3.69Å; Q351-P363 PolarHBondContact NE2-O 3.37Å; Q351-K364 PolarHBondContact NE2-O 3.5Å |
| 352 | S | 84.8 | Confident | 86 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 4% | 0.035 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 112 | A348 I349 L350 H355 L356 | A348-S352 VanDerWaalsContact O-CB 3.29Å; A348-S352 WeakPolarHBondContact O-CB 3.49Å; A348-S352 PolarHBondContact O-N 3.37Å; A348-S352 PolarHBondContact O-OG 3.18Å; I349-S352 PolarHBondContact O-N 3.14Å; L350-S352 VanDerWaalsContact C-N 3.28Å; L350-S352 PolarHBondContact O-N 2.62Å; S352-H355 PolarHBondContact O-N 3.16Å; S352-L356 WeakPolarHBondContact O-CG 3.37Å; S352-L356 PolarHBondContact O-N 3.35Å; S352-L356 VanDerWaalsContact O-N 3.12Å |
| 353 | L | 86.4 | Confident | 86.9 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.5 | -72 | 171.4 | 0 | 0 | 0 | 111.7 | F336 I349 L350 H355 L356 M357 | F336-L353 HydrophobicContact CD1-CD2 4.39Å; F336-L353 HydrophobicContact CD2-CD2 3.77Å; F336-L353 HydrophobicContact CD2-CG 4.17Å; F336-L353 HydrophobicContact CE1-CD2 4.16Å; F336-L353 HydrophobicContact CE2-CD2 3.51Å; F336-L353 HydrophobicContact CE2-CG 4.05Å; F336-L353 HydrophobicContact CG-CD2 4.22Å; F336-L353 HydrophobicContact CZ-CD2 3.73Å; I349-L353 HydrophobicContact CG2-CD1 4.25Å; I349-L353 WeakPolarHBondContact O-CG 3.26Å; I349-L353 PolarHBondContact O-N 3.36Å; L350-L353 PolarHBondContact O-N 2.91Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 3.09Å; L353-L356 WeakPolarHBondContact O-CB 3.25Å; L353-L356 PolarHBondContact O-N 2.74Å; L353-M357 PolarHBondContact O-N 2.94Å |
| 354 | V | 89.3 | Confident | 87.3 | Confident | 58 Ų | 58 | 75.5 Ų | 75.5 | 35% | 0.352 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 178 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | L350 Q351 L356 M357 T358 V362 | L350-V354 WeakPolarHBondContact O-CG2 3.29Å; L350-V354 PolarHBondContact O-N 2.89Å; Q351-V354 PolarHBondContact O-N 3.4Å; V354-L356 VanDerWaalsContact C-N 3.26Å; V354-L356 PolarHBondContact O-N 3.21Å; V354-M357 CarbonylContact O-C 3.59Å; V354-M357 WeakPolarHBondContact O-CA 3.45Å; V354-M357 WeakPolarHBondContact O-CB 3.38Å; V354-M357 PolarHBondContact O-N 2.97Å; V354-T358 PolarHBondContact O-N 3.16Å; V354-T358 PolarHBondContact O-OG1 3.42Å; V354-V362 HydrophobicContact CB-CG2 4.5Å; V354-V362 HydrophobicContact CG1-CB 4.29Å; V354-V362 HydrophobicContact CG1-CG2 3.63Å |
| 355 | H | 87.8 | Confident | 87.6 | Confident | 30 Ų | 30 | 74.5 Ų | 74.5 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 173.7 | 178 | 69.8 | 0 | 0 | 0 | 112.5 | Q351 S352 L353 M357 P359 V362 K364 | Q351-H355 WeakPolarHBondContact O-CB 3.36Å; Q351-H355 PolarHBondContact O-N 3.2Å; S352-H355 PolarHBondContact O-N 3.16Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-H355 PolarHBondContact O-N 3.09Å; H355-M357 VanDerWaalsContact C-N 3.26Å; H355-M357 PolarHBondContact O-N 3.27Å; H355-P359 VanDerWaalsContact O-CA 3.26Å; H355-P359 WeakPolarHBondContact O-CA 3.45Å; H355-P359 WeakPolarHBondContact O-CB 3.28Å; H355-P359 WeakPolarHBondContact O-CD 3.26Å; H355-P359 VanDerWaalsContact O-N 3.16Å; H355-V362 HydrophobicContact CB-CG1 4.31Å; H355-V362 PolarHBondContact ND1-O 3.38Å; H355-K364 VanDerWaalsContact CD2-CG 3.42Å; H355-K364 WeakPolarHBondContact CD2-CG 3.19Å; H355-K364 VanDerWaalsContact NE2-CE 3.26Å; H355-K364 WeakPolarHBondContact NE2-CE 3.47Å; H355-K364 WeakPolarHBondContact NE2-CG 2.9Å |
| 356 | L | 87.1 | Confident | 87.9 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 59% | 0.586 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.9 | -31.4 | 173.6 | -70.9 | 175.3 | 0 | 0 | 0 | 112.5 | F336 S352 L353 V354 | F336-L356 HydrophobicContact CB-CD1 3.84Å; F336-L356 HydrophobicContact CD1-CD1 3.98Å; F336-L356 HydrophobicContact CG-CD1 4.05Å; S352-L356 WeakPolarHBondContact O-CG 3.37Å; S352-L356 PolarHBondContact O-N 3.35Å; S352-L356 VanDerWaalsContact O-N 3.12Å; L353-L356 WeakPolarHBondContact O-CB 3.25Å; L353-L356 PolarHBondContact O-N 2.74Å; V354-L356 VanDerWaalsContact C-N 3.26Å; V354-L356 PolarHBondContact O-N 3.21Å |
| 357 | M | 89.4 | Confident | 88.2 | Confident | 156 Ų | 156 | 71.2 Ų | 71.2 | 77% | 0.768 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -82.5 | -39.7 | 178.6 | -61 | -179.1 | 76 | 0 | 0 | 112.4 | L353 V354 H355 | L353-M357 PolarHBondContact O-N 2.94Å; V354-M357 CarbonylContact O-C 3.59Å; V354-M357 WeakPolarHBondContact O-CA 3.45Å; V354-M357 WeakPolarHBondContact O-CB 3.38Å; V354-M357 PolarHBondContact O-N 2.97Å; H355-M357 VanDerWaalsContact C-N 3.26Å; H355-M357 PolarHBondContact O-N 3.27Å |
| 358 | T | 89.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | trans | -139.2 | 70.7 | -173.3 | 52.4 | 0 | 0 | 0 | 0 | 112 | V354 D360 A361 V362 | V354-T358 PolarHBondContact O-N 3.16Å; V354-T358 PolarHBondContact O-OG1 3.42Å; T358-D360 PolarHBondContact O-N 2.93Å; T358-A361 PolarHBondContact O-N 2.73Å; T358-A361 VanDerWaalsContact O-N 3.07Å; T358-V362 PolarHBondContact O-N 3.19Å; T358-V362 VanDerWaalsContact O-N 3.12Å | ||
| 359 | P | 88.1 | Confident | 88.7 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.7 | -172.1 | 25.3 | -35 | 0 | 0 | 0 | 114.2 | H355 | H355-P359 VanDerWaalsContact O-CA 3.26Å; H355-P359 WeakPolarHBondContact O-CA 3.45Å; H355-P359 WeakPolarHBondContact O-CB 3.28Å; H355-P359 WeakPolarHBondContact O-CD 3.26Å; H355-P359 VanDerWaalsContact O-N 3.16Å |
| 360 | D | 90.7 | Very high | 89 | Confident | 170 Ų | 170 | 69.4 Ų | 69.4 | 91% | 0.909 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -21 | 178.2 | -64.1 | -38.5 | 0 | 0 | 0 | 113.1 | T358 | T358-D360 PolarHBondContact O-N 2.93Š|
| 361 | A | 91.3 | Very high | 89.1 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 67% | 0.669 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -35.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T358 | T358-A361 PolarHBondContact O-N 2.73Å; T358-A361 VanDerWaalsContact O-N 3.07Å |
| 362 | V | 88.1 | Confident | 89.2 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 22% | 0.218 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -118.9 | 130.2 | -175.5 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | Q351 V354 H355 T358 | Q351-V362 HydrophobicContact CG-CG1 3.69Å; V354-V362 HydrophobicContact CB-CG2 4.5Å; V354-V362 HydrophobicContact CG1-CB 4.29Å; V354-V362 HydrophobicContact CG1-CG2 3.63Å; H355-V362 HydrophobicContact CB-CG1 4.31Å; H355-V362 PolarHBondContact ND1-O 3.38Å; T358-V362 PolarHBondContact O-N 3.19Å; T358-V362 VanDerWaalsContact O-N 3.12Å |
| 363 | P | 88.8 | Confident | 89.4 | Confident | 89 Ų | 89 | 71.9 Ų | 71.9 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 161.3 | 175.5 | 31.3 | -34.3 | 0 | 0 | 0 | 112.3 | Q351 | Q351-P363 PolarHBondContact NE2-O 3.37Š|
| 364 | K | 85.2 | Confident | 89.5 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 42% | 0.422 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 150.9 | 169.8 | -67.1 | -174.5 | 178.5 | -173.8 | 0 | 111.7 | Q351 H355 | Q351-K364 PolarHBondContact NE2-O 3.5Å; H355-K364 VanDerWaalsContact CD2-CG 3.42Å; H355-K364 WeakPolarHBondContact CD2-CG 3.19Å; H355-K364 VanDerWaalsContact NE2-CE 3.26Å; H355-K364 WeakPolarHBondContact NE2-CE 3.47Å; H355-K364 WeakPolarHBondContact NE2-CG 2.9Å |
| 365 | A | 88.1 | Confident | 89.4 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 148.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C334 A348 C401 H402 | C334-A365 HydrophobicContact CB-CB 3.97Å; C334-A365 WeakPolarHBondContact CB-O 3.48Å; A348-A365 HydrophobicContact CB-CB 4.16Å; A365-C401 HydrophobicContact CB-CB 4.48Å; A365-H402 WeakPolarHBondContact CA-O 3.08Å |
| 366 | C | 90.4 | Very high | 89.5 | Confident | 85 Ų | 85 | 67 Ų | 67 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -100.5 | 142.6 | -176.5 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | A368 C401 H402 | C366-A368 PolarHBondContact O-N 3.29Å; C366-C401 WeakPolarHBondContact O-CA 3.46Å; C366-H402 PolarHBondContact N-O 3.45Å; C366-H402 PolarHBondContact O-N 3Å |
| 367 | C | 91.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 113.5 | 170.5 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | C301 | C301-C367 WeakPolarHBondContact CA-SG 3.3Å; C301-C367 HydrophobicContact CB-CB 3.69Å; C301-C367 WeakPolarHBondContact CB-SG 3.49Å; C301-C367 VanDerWaalsContact SG-CA 3.51Å; C301-C367 WeakPolarHBondContact SG-CB 3.36Å; C301-C367 CovalentContact SG-SG 2.04Å; C301-C367 PolarHBondContact SG-SG 2.83Å |
| 368 | A | 93.1 | Very high | 89.9 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C330 C366 T370 C399 G400 | C330-A368 VanDerWaalsContact SG-C 3.56Å; C366-A368 PolarHBondContact O-N 3.29Å; A368-T370 PolarHBondContact O-N 3.17Å; A368-C399 CarbonylContact O-C 3.55Å; A368-C399 WeakPolarHBondContact O-CA 3.49Å; A368-G400 PolarHBondContact N-O 3.4Å; A368-G400 PolarHBondContact O-N 3.4Å |
| 369 | P | 92.8 | Very high | 89.9 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 129.1 | 175 | -22 | 33.7 | 0 | 0 | 0 | 112.4 | C330 L372 V396 A398 | C330-P369 VanDerWaalsContact SG-CA 3.56Å; C330-P369 VanDerWaalsContact SG-N 3.42Å; P369-L372 HydrophobicContact CB-CD1 4.25Å; P369-L372 HydrophobicContact CB-CD2 3.83Å; P369-L372 HydrophobicContact CB-CG 3.95Å; P369-L372 HydrophobicContact CG-CD2 4.36Å; P369-V396 HydrophobicContact CB-CG1 4.14Å; P369-V396 HydrophobicContact CB-CG2 4.13Å; P369-V396 HydrophobicContact CG-CG1 4.43Å; P369-V396 HydrophobicContact CG-CG2 3.87Å; P369-A398 WeakPolarHBondContact CA-O 3.46Å |
| 370 | T | 91.1 | Very high | 89.9 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -38.2 | 175.6 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | N343 A368 A398 C399 H402 | N343-T370 HydrophobicContact CB-CG2 4.46Å; A368-T370 PolarHBondContact O-N 3.17Å; T370-A398 PolarHBondContact N-O 3.24Å; T370-A398 VanDerWaalsContact OG1-CB 3.25Å; T370-A398 WeakPolarHBondContact OG1-CB 3.34Å; T370-A398 PolarHBondContact OG1-O 3.42Å; T370-C399 PolarHBondContact OG1-N 2.74Å; T370-C399 PolarHBondContact OG1-O 3.49Å; T370-H402 WeakPolarHBondContact CG2-NE2 3.35Å |
| 371 | K | 91.1 | Very high | 89.6 | Confident | 111 Ų | 111 | 41.6 Ų | 41.6 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.4 | 173.7 | -169.2 | 175.9 | -179 | 178.6 | 0 | 108.7 | D91 K397 A398 | D91-K371 IonicContact OD2-NZ 3.44Å; D91-K371 PolarHBondContact OD2-NZ 2.95Å; K371-K397 HydrophobicContact CB-CB 4.18Å; K371-K397 HydrophobicContact CD-CB 4.35Å; K371-K397 HydrophobicContact CG-CB 4.11Å; K371-K397 PolarHBondContact O-N 2.87Å; K371-A398 HydrophobicContact CB-CB 3.93Å; K371-A398 PolarHBondContact N-O 3.36Å; K371-A398 PolarHBondContact O-N 2.98Å |
| 372 | L | 89.6 | Confident | 89.1 | Confident | 65 Ų | 65 | 40.7 Ų | 40.7 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152.1 | 173.8 | -66.8 | 154.2 | 0 | 0 | 0 | 109.4 | P369 N393 V395 V396 | P369-L372 HydrophobicContact CB-CD1 4.25Å; P369-L372 HydrophobicContact CB-CD2 3.83Å; P369-L372 HydrophobicContact CB-CG 3.95Å; P369-L372 HydrophobicContact CG-CD2 4.36Å; L372-N393 HydrophobicContact CB-CB 4.27Å; L372-N393 HydrophobicContact CD1-CB 4.02Å; L372-V395 CarbonylContact C-O 3.6Å; L372-V395 WeakPolarHBondContact CA-O 3.23Å; L372-V396 HydrophobicContact CD2-CB 4.42Å; L372-V396 HydrophobicContact CD2-CG2 3.8Å |
| 373 | S | 88.7 | Confident | 88.6 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 163.2 | 176.4 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | N393 M394 V395 K397 | S373-N393 PolarHBondContact O-N 2.89Å; S373-M394 PolarHBondContact O-N 2.96Å; S373-V395 PolarHBondContact N-O 2.78Å; S373-V395 PolarHBondContact O-N 2.78Å; S373-V395 VanDerWaalsContact O-N 3.13Å; S373-V395 VanDerWaalsContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CG1 3.41Å; S373-V395 PolarHBondContact OG-O 3.06Å; S373-K397 WeakPolarHBondContact OG-CE 3.3Å; S373-K397 WeakPolarHBondContact OG-CG 3.08Å |
| 374 | A | 87.9 | Confident | 88.1 | Confident | 25 Ų | 25 | 39 Ų | 39 | 21% | 0.207 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 162.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K390 H391 R392 | A374-K390 HydrophobicContact CB-CD 4.3Å; A374-K390 VanDerWaalsContact CB-CE 3.45Å; A374-K390 HydrophobicContact CB-CG 3.91Å; A374-H391 CarbonylContact C-O 3.53Å; A374-H391 WeakPolarHBondContact CA-O 3.42Å; A374-H391 WeakPolarHBondContact CB-O 3.42Å; A374-R392 HydrophobicContact CB-CG 4.41Å |
| 375 | T | 87.9 | Confident | 88.2 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 14% | 0.135 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 147.2 | 166.2 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | Y325 H391 M394 | Y325-T375 HydrophobicContact CD2-CG2 4.28Å; Y325-T375 HydrophobicContact CE2-CG2 4.35Å; Y325-T375 HydrophobicContact CG-CG2 4.48Å; T375-H391 PolarHBondContact N-O 3.39Å; T375-H391 PolarHBondContact O-N 2.93Å; T375-M394 HydrophobicContact CG2-CB 3.71Å; T375-M394 HydrophobicContact CG2-CG 4.11Å |
| 376 | S | 89.9 | Confident | 88.3 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 138.7 | -179 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | Y81 P322 R389 | Y81-S376 WeakPolarHBondContact CE2-O 3.23Å; P322-S376 WeakPolarHBondContact CD-O 3.19Å; S376-R389 CarbonylContact C-O 3.23Å; S376-R389 VanDerWaalsContact CA-O 3.3Å; S376-R389 WeakPolarHBondContact CA-O 3.42Å |
| 377 | V | 90.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 129.5 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | F310 V319 Y379 R389 | F310-V377 HydrophobicContact CE2-CG1 4.47Å; F310-V377 HydrophobicContact CZ-CG2 4.23Å; V319-V377 HydrophobicContact CG1-CG1 4.09Å; V377-Y379 HydrophobicContact CG1-CD1 4.06Å; V377-R389 PolarHBondContact N-O 2.96Å; V377-R389 PolarHBondContact O-N 2.91Å |
| 378 | L | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.4 | 176.8 | -177.2 | 71.1 | 0 | 0 | 0 | 109.3 | M77 L78 Y81 I320 A321 V386 I387 L388 | M77-L378 HydrophobicContact CB-CD1 3.9Å; M77-L378 HydrophobicContact CE-CD1 4.43Å; L78-L378 HydrophobicContact CB-CD2 4.18Å; L78-L378 HydrophobicContact CD1-CD2 3.85Å; Y81-L378 HydrophobicContact CD2-CB 4.42Å; I320-L378 HydrophobicContact CB-CB 4.42Å; I320-L378 HydrophobicContact CB-CD2 3.95Å; I320-L378 HydrophobicContact CB-CG 3.99Å; I320-L378 HydrophobicContact CD1-CD2 4.38Å; I320-L378 HydrophobicContact CD1-CG 4.19Å; I320-L378 HydrophobicContact CG2-CD2 3.77Å; I320-L378 HydrophobicContact CG2-CG 4.38Å; I320-L378 PolarHBondContact N-O 3.03Å; A321-L378 HydrophobicContact CB-CB 4.25Å; A321-L378 HydrophobicContact CB-CD2 4.45Å; A321-L378 PolarHBondContact N-O 2.91Å; A321-L378 VanDerWaalsContact N-O 3.16Å; A321-L378 PolarHBondContact O-N 2.85Å; L378-V386 HydrophobicContact CD1-CG1 3.46Å; L378-V386 VanDerWaalsContact CD1-CG1 3.46Å; L378-V386 HydrophobicContact CG-CG1 4.07Å; L378-I387 CarbonylContact C-O 3.55Å; L378-I387 WeakPolarHBondContact CA-O 3.38Å; L378-L388 HydrophobicContact CB-CD1 4.23Å; L378-L388 HydrophobicContact CD1-CB 3.8Å; L378-L388 HydrophobicContact CD1-CD1 4.33Å; L378-L388 HydrophobicContact CD1-CG 4.45Å |
| 379 | Y | 90.6 | Very high | 88.1 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 164.5 | -173.5 | 65 | -88.7 | 0 | 0 | 0 | 113.7 | L54 W318 V377 I387 R389 | L54-Y379 HydrophobicContact CD2-CE2 3.71Å; L54-Y379 WeakPolarHBondContact CD2-OH 3.41Å; W318-Y379 AromaticContact CE3-CD2 3.74Å; W318-Y379 HydrophobicContact CE3-CD2 3.74Å; W318-Y379 AromaticContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CE3-CG 3.84Å; W318-Y379 HydrophobicContact CZ3-CD1 4.27Å; W318-Y379 AromaticContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CD2 3.66Å; W318-Y379 HydrophobicContact CZ3-CE2 4.39Å; W318-Y379 AromaticContact CZ3-CG 3.59Å; W318-Y379 HydrophobicContact CZ3-CG 3.59Å; W318-Y379 CarbonylContact O-C 3.58Å; W318-Y379 WeakPolarHBondContact O-CA 3.41Å; W318-Y379 WeakPolarHBondContact O-CB 3.37Å; V377-Y379 HydrophobicContact CG1-CD1 4.06Å; Y379-I387 HydrophobicContact CD2-CB 4.35Å; Y379-I387 HydrophobicContact CE1-CB 4.16Å; Y379-I387 HydrophobicContact CE1-CG2 3.93Å; Y379-I387 HydrophobicContact CE2-CB 3.92Å; Y379-I387 HydrophobicContact CE2-CD1 4Å; Y379-I387 HydrophobicContact CE2-CG1 4.4Å; Y379-I387 HydrophobicContact CE2-CG2 4.23Å; Y379-I387 PolarHBondContact N-O 3.42Å; Y379-I387 PolarHBondContact O-N 2.91Å; Y379-I387 WeakPolarHBondContact OH-CG2 3.19Å; Y379-R389 HydrophobicContact CE1-CB 4.16Å |
| 380 | Y | 88.3 | Confident | 87.9 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 139.5 | 172 | -72.2 | -73.5 | 0 | 0 | 0 | 112.1 | P58 A65 R68 P74 W318 I320 N385 V386 | P58-Y380 WeakPolarHBondContact CB-O 3.28Å; A65-Y380 HydrophobicContact CB-CD2 3.93Å; A65-Y380 HydrophobicContact CB-CE2 3.74Å; R68-Y380 VanDerWaalsContact NH1-CD1 3.3Å; R68-Y380 VanDerWaalsContact NH1-CE1 3.28Å; P74-Y380 HydrophobicContact CG-CE1 4.25Å; P74-Y380 WeakPolarHBondContact CG-OH 3.41Å; W318-Y380 PolarHBondContact O-N 2.79Å; I320-Y380 HydrophobicContact CD1-CD2 3.8Å; I320-Y380 HydrophobicContact CD1-CE1 4.28Å; I320-Y380 HydrophobicContact CD1-CE2 3.44Å; I320-Y380 VanDerWaalsContact CD1-CE2 3.44Å; I320-Y380 HydrophobicContact CD1-CG 4.35Å; I320-Y380 HydrophobicContact CG1-CD2 3.83Å; I320-Y380 HydrophobicContact CG1-CE2 3.65Å; Y380-N385 WeakPolarHBondContact CA-O 3.41Å; Y380-V386 HydrophobicContact CD1-CG2 3.73Å; Y380-V386 HydrophobicContact CE1-CG2 3.32Å |
| 381 | D | 84.6 | Confident | 87.6 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 6% | 0.059 | 16% | 0.158 | C | C | . | . | trans | -82.5 | -176.5 | 166.1 | 79.2 | -3 | 0 | 0 | 0 | 112.4 | S383 N384 N385 I387 | D381-S383 PolarHBondContact O-N 2.88Å; D381-S383 VanDerWaalsContact OD1-CA 3.25Å; D381-S383 WeakPolarHBondContact OD1-CA 3.19Å; D381-S383 WeakPolarHBondContact OD1-CB 3.46Å; D381-S383 PolarHBondContact OD1-N 2.95Å; D381-N384 PolarHBondContact O-N 3.4Å; D381-N384 PolarHBondContact OD1-N 2.86Å; D381-N385 PolarHBondContact N-O 2.86Å; D381-N385 WeakPolarHBondContact OD1-CB 3.34Å; D381-N385 PolarHBondContact OD1-N 2.93Å; D381-N385 WeakPolarHBondContact OD2-CB 2.9Å; D381-N385 PolarHBondContact OD2-ND2 2.77Å; D381-I387 HydrophobicContact CB-CD1 3.71Å; D381-I387 HydrophobicContact CB-CG1 4.38Å | ||
| 382 | S | 80.4 | Confident | 87.4 | Confident | 62 Ų | 62 | 31.1 Ų | 31.1 | 43% | 0.434 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.2 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 383 | S | 76.8 | Confident | 87.2 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 31% | 0.308 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.1 | 179.2 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | Q134 D381 N385 | Q134-S383 PolarHBondContact NE2-OG 2.83Å; D381-S383 PolarHBondContact O-N 2.88Å; D381-S383 VanDerWaalsContact OD1-CA 3.25Å; D381-S383 WeakPolarHBondContact OD1-CA 3.19Å; D381-S383 WeakPolarHBondContact OD1-CB 3.46Å; D381-S383 PolarHBondContact OD1-N 2.95Å; S383-N385 VanDerWaalsContact C-N 3.26Å |
| 384 | N | 79.6 | Confident | 87.2 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 66.4 | 17.3 | -172.8 | -54.3 | -63.6 | 0 | 0 | 0 | 115.3 | P60 R68 D381 | P60-N384 WeakPolarHBondContact CB-OD1 3.06Å; R68-N384 PolarHBondContact NH1-OD1 2.85Å; R68-N384 VanDerWaalsContact NH1-OD1 3.11Å; R68-N384 PolarHBondContact NH2-OD1 2.87Å; D381-N384 PolarHBondContact O-N 3.4Å; D381-N384 PolarHBondContact OD1-N 2.86Å |
| 385 | N | 86 | Confident | 87.4 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | trans | -69 | 145.7 | 165 | -59 | -46.9 | 0 | 0 | 0 | 109.1 | S107 Y380 D381 S383 | S107-N385 WeakPolarHBondContact O-CB 3.31Å; S107-N385 PolarHBondContact O-OD1 2.8Å; Y380-N385 WeakPolarHBondContact CA-O 3.41Å; D381-N385 PolarHBondContact N-O 2.86Å; D381-N385 WeakPolarHBondContact OD1-CB 3.34Å; D381-N385 PolarHBondContact OD1-N 2.93Å; D381-N385 WeakPolarHBondContact OD2-CB 2.9Å; D381-N385 PolarHBondContact OD2-ND2 2.77Å; S383-N385 VanDerWaalsContact C-N 3.26Å | ||
| 386 | V | 90.9 | Very high | 87.6 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.7 | 174 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | P74 M77 S107 I320 L378 Y380 | P74-V386 HydrophobicContact CB-CG2 3.99Å; P74-V386 HydrophobicContact CG-CG2 3.69Å; M77-V386 HydrophobicContact CB-CB 4.35Å; M77-V386 HydrophobicContact CB-CG1 3.74Å; M77-V386 HydrophobicContact CG-CB 4.16Å; M77-V386 HydrophobicContact CG-CG1 4.05Å; S107-V386 PolarHBondContact N-O 2.93Å; S107-V386 VanDerWaalsContact OG-CB 3.3Å; S107-V386 WeakPolarHBondContact OG-CB 3.49Å; S107-V386 PolarHBondContact OG-N 3.29Å; S107-V386 PolarHBondContact OG-O 3.21Å; I320-V386 HydrophobicContact CD1-CG1 3.75Å; I320-V386 HydrophobicContact CD1-CG2 4.16Å; L378-V386 HydrophobicContact CD1-CG1 3.46Å; L378-V386 VanDerWaalsContact CD1-CG1 3.46Å; L378-V386 HydrophobicContact CG-CG1 4.07Å; Y380-V386 HydrophobicContact CD1-CG2 3.73Å; Y380-V386 HydrophobicContact CE1-CG2 3.32Å |
| 387 | I | 90.8 | Very high | 87.7 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.8 | -177.8 | -57 | -175.3 | 0 | 0 | 0 | 108.9 | L104 V105 M106 L378 Y379 D381 | L104-I387 HydrophobicContact CD1-CG2 3.37Å; V105-I387 WeakPolarHBondContact O-CA 3.4Å; M106-I387 HydrophobicContact CE-CD1 3.86Å; M106-I387 HydrophobicContact CE-CG1 4.17Å; M106-I387 HydrophobicContact CG-CG1 4.2Å; M106-I387 HydrophobicContact CG-CG2 4.36Å; L378-I387 CarbonylContact C-O 3.55Å; L378-I387 WeakPolarHBondContact CA-O 3.38Å; Y379-I387 HydrophobicContact CD2-CB 4.35Å; Y379-I387 HydrophobicContact CE1-CB 4.16Å; Y379-I387 HydrophobicContact CE1-CG2 3.93Å; Y379-I387 HydrophobicContact CE2-CB 3.92Å; Y379-I387 HydrophobicContact CE2-CD1 4Å; Y379-I387 HydrophobicContact CE2-CG1 4.4Å; Y379-I387 HydrophobicContact CE2-CG2 4.23Å; Y379-I387 PolarHBondContact N-O 3.42Å; Y379-I387 PolarHBondContact O-N 2.91Å; Y379-I387 WeakPolarHBondContact OH-CG2 3.19Å; D381-I387 HydrophobicContact CB-CD1 3.71Å; D381-I387 HydrophobicContact CB-CG1 4.38Å |
| 388 | L | 91.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.9 | 171.2 | 176.7 | 49.3 | 0 | 0 | 0 | 108.6 | M77 L80 Y81 M84 L104 V105 L378 | M77-L388 HydrophobicContact CE-CB 3.58Å; L80-L388 HydrophobicContact CB-CD2 4.43Å; L80-L388 HydrophobicContact CD2-CD2 4.07Å; L80-L388 HydrophobicContact CG-CD2 3.93Å; Y81-L388 HydrophobicContact CD2-CD1 3.82Å; M84-L388 HydrophobicContact CE-CD1 4.35Å; M84-L388 HydrophobicContact CE-CD2 3.1Å; M84-L388 HydrophobicContact CE-CG 3.7Å; L104-L388 CarbonylContact C-O 3.5Å; L104-L388 WeakPolarHBondContact CA-O 3.36Å; V105-L388 HydrophobicContact CB-CB 4.27Å; V105-L388 PolarHBondContact N-O 2.85Å; V105-L388 PolarHBondContact O-N 2.85Å; L378-L388 HydrophobicContact CB-CD1 4.23Å; L378-L388 HydrophobicContact CD1-CB 3.8Å; L378-L388 HydrophobicContact CD1-CD1 4.33Å; L378-L388 HydrophobicContact CD1-CG 4.45Å |
| 389 | R | 89.3 | Confident | 87.8 | Confident | 60 Ų | 60 | 38.3 Ų | 38.3 | 23% | 0.226 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.7 | -174.8 | -169.2 | 167.3 | -166.6 | -125.7 | -1.8 | 111.7 | L52 G53 L104 S376 V377 Y379 H391 | L52-R389 PolarHBondContact O-NH1 3.31Å; G53-R389 VanDerWaalsContact CA-NH1 3.27Å; L104-R389 HydrophobicContact CD1-CB 4.13Å; L104-R389 HydrophobicContact CD1-CG 4.2Å; S376-R389 CarbonylContact C-O 3.23Å; S376-R389 VanDerWaalsContact CA-O 3.3Å; S376-R389 WeakPolarHBondContact CA-O 3.42Å; V377-R389 PolarHBondContact N-O 2.96Å; V377-R389 PolarHBondContact O-N 2.91Å; Y379-R389 HydrophobicContact CE1-CB 4.16Å; R389-H391 PolarHBondContact O-CD2 2.82Å |
| 390 | K | 87.1 | Confident | 87.7 | Confident | 65 Ų | 65 | 37.8 Ų | 37.8 | 28% | 0.283 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.9 | 173.4 | -170.4 | 164.6 | -170.2 | 155.1 | 0 | 109.7 | D88 D103 A374 | D88-K390 IonicContact OD1-NZ 3.76Å; D88-K390 PolarHBondContact OD1-NZ 2.03Å; D103-K390 PolarHBondContact O-N 3.4Å; A374-K390 HydrophobicContact CB-CD 4.3Å; A374-K390 VanDerWaalsContact CB-CE 3.45Å; A374-K390 HydrophobicContact CB-CG 3.91Å |
| 391 | H | 85.6 | Confident | 87.8 | Confident | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 110.6 | 177.3 | -61.5 | -81 | 0 | 0 | 0 | 109.9 | L52 A374 T375 R389 M394 | L52-H391 PolarHBondContact O-CE1 2.89Å; A374-H391 CarbonylContact C-O 3.53Å; A374-H391 WeakPolarHBondContact CA-O 3.42Å; A374-H391 WeakPolarHBondContact CB-O 3.42Å; T375-H391 PolarHBondContact N-O 3.39Å; T375-H391 PolarHBondContact O-N 2.93Å; R389-H391 PolarHBondContact O-CD2 2.82Å; H391-M394 HydrophobicContact CB-CG 3.47Å; H391-M394 VanDerWaalsContact CB-CG 3.47Å; H391-M394 HydrophobicContact CB-SD 4.31Å; H391-M394 WeakPolarHBondContact O-CG 3.49Å |
| 392 | R | 85.6 | Confident | 87.8 | Confident | 146 Ų | 146 | 40.3 Ų | 40.3 | 55% | 0.551 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 155.8 | 176.2 | -57.9 | -176.1 | -171.5 | 174.4 | 5.3 | 110.6 | D103 A374 M394 | D103-R392 VanDerWaalsContact CG-NH2 3.29Å; D103-R392 IonicContact OD1-CZ 2.82Å; D103-R392 IonicContact OD1-NE 2.65Å; D103-R392 PolarHBondContact OD1-NE 2.84Å; D103-R392 IonicContact OD1-NH2 3.45Å; D103-R392 PolarHBondContact OD1-NH2 3.34Å; D103-R392 IonicContact OD2-NH2 3.92Å; D103-R392 PolarHBondContact OD2-NH2 2.98Å; A374-R392 HydrophobicContact CB-CG 4.41Å; R392-M394 VanDerWaalsContact C-N 3.33Å; R392-M394 PolarHBondContact O-N 2.91Å |
| 393 | N | 86.4 | Confident | 88.2 | Confident | 111 Ų | 111 | 39.2 Ų | 39.2 | 59% | 0.594 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 62.9 | 31.2 | 173.3 | -58.6 | -28.4 | 0 | 0 | 0 | 115.5 | L372 S373 | L372-N393 HydrophobicContact CB-CB 4.27Å; L372-N393 HydrophobicContact CD1-CB 4.02Å; S373-N393 PolarHBondContact O-N 2.89Å |
| 394 | M | 88.9 | Confident | 88.8 | Confident | 31 Ų | 31 | 38.9 Ų | 38.9 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -21.3 | -175.9 | -66.2 | -59.8 | -67.9 | 0 | 0 | 114 | V51 L52 Y325 S373 T375 H391 R392 | V51-M394 HydrophobicContact CG1-CE 3.95Å; V51-M394 HydrophobicContact CG1-SD 3.56Å; V51-M394 VanDerWaalsContact CG1-SD 3.56Å; L52-M394 HydrophobicContact CD2-CE 4.09Å; Y325-M394 HydrophobicContact CE2-CB 4.39Å; Y325-M394 VanDerWaalsContact OH-CE 3.31Å; Y325-M394 WeakPolarHBondContact OH-CE 3.3Å; S373-M394 PolarHBondContact O-N 2.96Å; T375-M394 HydrophobicContact CG2-CB 3.71Å; T375-M394 HydrophobicContact CG2-CG 4.11Å; H391-M394 HydrophobicContact CB-CG 3.47Å; H391-M394 VanDerWaalsContact CB-CG 3.47Å; H391-M394 HydrophobicContact CB-SD 4.31Å; H391-M394 WeakPolarHBondContact O-CG 3.49Å; R392-M394 VanDerWaalsContact C-N 3.33Å; R392-M394 PolarHBondContact O-N 2.91Å |
| 395 | V | 91.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 38.6 Ų | 38.6 | 9% | 0.085 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 119.8 | -175.1 | 173.9 | 0 | 0 | 0 | 0 | 110.1 | Y325 S326 A327 Y328 L372 S373 K397 | Y325-V395 HydrophobicContact CD2-CG2 3.72Å; Y325-V395 HydrophobicContact CE2-CG2 3.97Å; S326-V395 WeakPolarHBondContact O-CG1 3.5Å; A327-V395 WeakPolarHBondContact O-CA 3.46Å; Y328-V395 HydrophobicContact CD2-CG1 4.1Å; Y328-V395 HydrophobicContact CE2-CG1 4.37Å; L372-V395 CarbonylContact C-O 3.6Å; L372-V395 WeakPolarHBondContact CA-O 3.23Å; S373-V395 PolarHBondContact N-O 2.78Å; S373-V395 PolarHBondContact O-N 2.78Å; S373-V395 VanDerWaalsContact O-N 3.13Å; S373-V395 VanDerWaalsContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CB 3.31Å; S373-V395 WeakPolarHBondContact OG-CG1 3.41Å; S373-V395 PolarHBondContact OG-O 3.06Å; V395-K397 PolarHBondContact O-N 2.82Å |
| 396 | V | 93.5 | Very high | 89.5 | Confident | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122 | 177.1 | 180 | 0 | 0 | 0 | 0 | 109.8 | R303 A327 P369 L372 | R303-V396 VanDerWaalsContact CD-O 3.24Å; R303-V396 WeakPolarHBondContact CD-O 3.49Å; R303-V396 HydrophobicContact CG-CG1 4.24Å; A327-V396 PolarHBondContact O-N 3.45Å; P369-V396 HydrophobicContact CB-CG1 4.14Å; P369-V396 HydrophobicContact CB-CG2 4.13Å; P369-V396 HydrophobicContact CG-CG1 4.43Å; P369-V396 HydrophobicContact CG-CG2 3.87Å; L372-V396 HydrophobicContact CD2-CB 4.42Å; L372-V396 HydrophobicContact CD2-CG2 3.8Å |
| 397 | K | 92 | Very high | 89.4 | Confident | 99 Ų | 99 | 42.8 Ų | 42.8 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -35.8 | 174.8 | -66.1 | -73.2 | -177.7 | 165.2 | 0 | 111.7 | R303 K371 S373 V395 | R303-K397 PolarHBondContact NE-O 3.41Å; K371-K397 HydrophobicContact CB-CB 4.18Å; K371-K397 HydrophobicContact CD-CB 4.35Å; K371-K397 HydrophobicContact CG-CB 4.11Å; K371-K397 PolarHBondContact O-N 2.87Å; S373-K397 WeakPolarHBondContact OG-CE 3.3Å; S373-K397 WeakPolarHBondContact OG-CG 3.08Å; V395-K397 PolarHBondContact O-N 2.82Å |
| 398 | A | 91.1 | Very high | 89.3 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | P369 T370 K371 | P369-A398 WeakPolarHBondContact CA-O 3.46Å; T370-A398 PolarHBondContact N-O 3.24Å; T370-A398 VanDerWaalsContact OG1-CB 3.25Å; T370-A398 WeakPolarHBondContact OG1-CB 3.34Å; T370-A398 PolarHBondContact OG1-O 3.42Å; K371-A398 HydrophobicContact CB-CB 3.93Å; K371-A398 PolarHBondContact N-O 3.36Å; K371-A398 PolarHBondContact O-N 2.98Å |
| 399 | C | 92.3 | Very high | 89.1 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 10% | 0.095 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 158.7 | 174.6 | -61 | 0 | 0 | 0 | 0 | 110.1 | R303 C330 A368 T370 | R303-C399 VanDerWaalsContact CA-SG 3.52Å; C330-C399 WeakPolarHBondContact CA-SG 3.38Å; C330-C399 HydrophobicContact CB-CB 3.81Å; C330-C399 WeakPolarHBondContact CB-SG 3.36Å; C330-C399 VanDerWaalsContact SG-CA 3.56Å; C330-C399 WeakPolarHBondContact SG-CB 3.44Å; C330-C399 CovalentContact SG-SG 2.03Å; C330-C399 PolarHBondContact SG-SG 2.86Å; A368-C399 CarbonylContact O-C 3.55Å; A368-C399 WeakPolarHBondContact O-CA 3.49Å; T370-C399 PolarHBondContact OG1-N 2.74Å; T370-C399 PolarHBondContact OG1-O 3.49Å |
| 400 | G | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M342 A368 | M342-G400 CarbonylContact O-C 3.49Å; M342-G400 WeakPolarHBondContact O-CA 3.5Å; A368-G400 PolarHBondContact N-O 3.4Å; A368-G400 PolarHBondContact O-N 3.4Å |
| 401 | C | 89.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.4 | -179.3 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | C334 L338 M342 A344 T345 A348 A365 C366 | C334-C401 HydrophobicContact CB-CB 3.77Å; C334-C401 WeakPolarHBondContact CB-SG 3.38Å; C334-C401 VanDerWaalsContact SG-CA 3.6Å; C334-C401 WeakPolarHBondContact SG-CB 3.39Å; C334-C401 CovalentContact SG-SG 2.03Å; C334-C401 PolarHBondContact SG-SG 3.25Å; L338-C401 HydrophobicContact CD1-CB 4.32Å; L338-C401 HydrophobicContact CD2-CB 4.27Å; M342-C401 PolarHBondContact O-N 2.85Å; A344-C401 WeakPolarHBondContact CA-O 3.48Å; A344-C401 HydrophobicContact CB-CB 4.18Å; T345-C401 PolarHBondContact N-O 3.07Å; A348-C401 WeakPolarHBondContact CB-O 3.27Å; A365-C401 HydrophobicContact CB-CB 4.48Å; C366-C401 WeakPolarHBondContact O-CA 3.46Å |
| 402 | H | 85.1 | Confident | 89.6 | Confident | 80 Ų | 80 | 48.5 Ų | 48.5 | 37% | 0.37 | 23% | 0.233 | S | C | . | . | trans | -126.9 | 0 | -176.1 | -68.1 | -82.6 | 0 | 0 | 0 | 113.3 | T345 A365 C366 T370 | T345-H402 WeakPolarHBondContact CG2-ND1 3.49Å; A365-H402 WeakPolarHBondContact CA-O 3.08Å; C366-H402 PolarHBondContact N-O 3.45Å; C366-H402 PolarHBondContact O-N 3Å; T370-H402 WeakPolarHBondContact CG2-NE2 3.35Å |
Retrieved 402 of 402 residues in 122.1 ms
(Link to these results)