| 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 | 40.3 | Very low | 37 | Very low | 248 Ų | 248 | 172.9 Ų | 172.9 | 100% | 1.222 | 86% | 0.856 | S | S | * | * | 0 | 102.1 | 0 | -93 | 173.1 | 166.7 | 0 | 0 | 108.4 | |||||
| 2 | L | 37 | Very low | 37.1 | Very low | 176 Ų | 176 | 166.1 Ų | 166.1 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | trans | -74.6 | 131.2 | 167.7 | -102.1 | 74.5 | 0 | 0 | 0 | 108.5 | ||||
| 3 | Q | 36.1 | Very low | 37.1 | Very low | 198 Ų | 198 | 165.2 Ų | 165.2 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -147.6 | 129.1 | 150.9 | -138.6 | 165.6 | -1 | 0 | 0 | 111.9 | ||||
| 4 | R | 39 | Very low | 37.1 | Very low | 226 Ų | 226 | 165.7 Ų | 165.7 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | trans | -67.2 | 158.3 | -174.7 | -64.2 | 166.1 | 167.8 | -171.9 | -5 | 112.5 | ||||
| 5 | R | 35.6 | Very low | 37.2 | Very low | 224 Ų | 224 | 165.4 Ų | 165.4 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | 162.1 | 110.3 | 111.1 | -89.1 | 177.3 | 178.2 | -172.9 | -0.7 | 110.5 | |||||
| 6 | T | 35.3 | Very low | 36.9 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | 97.9 | 115.8 | 99.4 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 7 | V | 40.7 | Very low | 37.2 | Very low | 124 Ų | 124 | 159.5 Ų | 159.5 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -87.8 | 144.1 | 164 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 8 | P | 38.7 | Very low | 37.2 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | -138.6 | 124.4 | 120.2 | 22.5 | -2.2 | 0 | 0 | 0 | 111.7 | |||||
| 9 | W | 32.8 | Very low | 37.3 | Very low | 224 Ų | 224 | 152.7 Ų | 152.7 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | 55.9 | 91.3 | 101.1 | -74.5 | 62.8 | 0 | 0 | 0 | 113.8 | C11 | W9-C11 PolarHBondContact O-N 3.05Š| |||
| 10 | V | 36.6 | Very low | 37.1 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -88.5 | 97.4 | 164.9 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | A12 | V10-A12 PolarHBondContact O-N 3.43Š| ||
| 11 | C | 34.8 | Very low | 37.1 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 69% | 0.689 | 82% | 0.818 | S | S | * | * | trans | -78.1 | 107.6 | 162.3 | -79.5 | 0 | 0 | 0 | 0 | 108.3 | W9 L13 | W9-C11 PolarHBondContact O-N 3.05Å; C11-L13 PolarHBondContact O-N 3.09Å | ||
| 12 | A | 38.9 | Very low | 37.1 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -71 | 111.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | V10 L14 | V10-A12 PolarHBondContact O-N 3.43Å; A12-L14 PolarHBondContact O-N 3.15Å | ||
| 13 | L | 37.1 | Very low | 37.3 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -65.9 | 111 | 168.2 | -99.5 | 98.5 | 0 | 0 | 0 | 109 | C11 L15 | C11-L13 PolarHBondContact O-N 3.09Å; L13-L15 PolarHBondContact O-N 3.47Å | ||
| 14 | L | 37.1 | Very low | 37.5 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 102.7 | 153.7 | -84.9 | 149.4 | 0 | 0 | 0 | 107.4 | A12 G16 | A12-L14 PolarHBondContact O-N 3.15Å; L14-G16 PolarHBondContact O-N 3.37Å | ||
| 15 | L | 37.7 | Very low | 38.2 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 86.6 | 162.6 | -86.6 | 156.4 | 0 | 0 | 0 | 107.6 | L13 L17 | L13-L15 PolarHBondContact O-N 3.47Å; L15-L17 PolarHBondContact O-N 2.79Å | ||
| 16 | G | 33.5 | Very low | 39.8 | Very low | 54 Ų | 54 | 122.3 Ų | 122.3 | 56% | 0.557 | 76% | 0.756 | S | S | * | * | trans | -62.3 | 111.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | L14 T18 | L14-G16 PolarHBondContact O-N 3.37Å; G16-T18 PolarHBondContact O-N 2.95Å | ||
| 17 | L | 42 | Very low | 42.4 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | trans | -67.5 | 73.5 | 156.1 | -91.2 | 147.9 | 0 | 0 | 0 | 107.3 | L15 G19 | L15-L17 PolarHBondContact O-N 2.79Å; L17-G19 VanDerWaalsContact C-N 3.35Å; L17-G19 PolarHBondContact O-N 2.9Å; L17-G19 VanDerWaalsContact O-N 3.15Å | ||
| 18 | T | 37.2 | Very low | 45 | Very low | 122 Ų | 122 | 116.2 Ų | 116.2 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -70.6 | 101.3 | 157.9 | 50.5 | 0 | 0 | 0 | 0 | 105.3 | G16 L20 | G16-T18 PolarHBondContact O-N 2.95Å; T18-L20 PolarHBondContact O-N 3.49Å; T18-L20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | G | 38.2 | Very low | 47.8 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 119.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | L17 | L17-G19 VanDerWaalsContact C-N 3.35Å; L17-G19 PolarHBondContact O-N 2.9Å; L17-G19 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 33.8 | Very low | 50.9 | Low | 160 Ų | 160 | 101.9 Ų | 101.9 | 84% | 0.838 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 131.8 | 169.2 | -76 | 155.7 | 0 | 0 | 0 | 106.9 | T18 A22 | T18-L20 PolarHBondContact O-N 3.49Å; T18-L20 VanDerWaalsContact O-N 3.08Å; L20-A22 PolarHBondContact O-N 3.31Å |
| 21 | P | 37 | Very low | 53.8 | Low | 105 Ų | 105 | 100.5 Ų | 100.5 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 129.9 | 166.5 | 26.5 | -30.7 | 0 | 0 | 0 | 106.2 | S23 | P21-S23 PolarHBondContact O-N 2.96Š|
| 22 | A | 39.6 | Very low | 56.9 | Low | 108 Ų | 108 | 96.6 Ų | 96.6 | 89% | 0.893 | 59% | 0.592 | S | S | * | * | trans | -68.6 | 66.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109 | L20 G24 | L20-A22 PolarHBondContact O-N 3.31Å; A22-G24 PolarHBondContact O-N 3.12Å | ||
| 23 | S | 42.3 | Very low | 59.7 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 79% | 0.79 | 58% | 0.581 | S | S | * | * | trans | -89.9 | 82.6 | 167.8 | 73.7 | 0 | 0 | 0 | 0 | 107.6 | P21 | P21-S23 PolarHBondContact O-N 2.96Š| ||
| 24 | G | 39.5 | Very low | 62.6 | Low | 62 Ų | 62 | 92.7 Ų | 92.7 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | trans | -166.4 | 85.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | A22 D26 | A22-G24 PolarHBondContact O-N 3.12Å; G24-D26 PolarHBondContact O-N 3.38Å | ||
| 25 | S | 53.3 | Low | 65.6 | Low | 69 Ų | 69 | 84.6 Ų | 84.6 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | trans | -66.7 | 87.1 | 170.7 | 164.8 | 0 | 0 | 0 | 0 | 108.3 | F27 K102 | S25-F27 PolarHBondContact O-N 3.38Å; S25-F27 WeakPolarHBondContact OG-CE2 3.37Å; S25-K102 WeakPolarHBondContact OG-CE 3.45Å; S25-K102 PolarHBondContact OG-NZ 3.5Å; S25-K102 VanDerWaalsContact OG-NZ 3.07Å | ||
| 26 | D | 69.9 | Low | 68.5 | Low | 122 Ų | 122 | 77.8 Ų | 77.8 | 65% | 0.652 | 48% | 0.479 | S | S | * | . | trans | -70.5 | 118.2 | 168.1 | -104.8 | -15.2 | 0 | 0 | 0 | 108.1 | G24 K102 | G24-D26 PolarHBondContact O-N 3.38Å; D26-K102 PolarHBondContact O-NZ 3.34Å | ||
| 27 | F | 90.4 | Very high | 71.6 | Confident | 47 Ų | 47 | 82.6 Ų | 82.6 | 21% | 0.206 | 48% | 0.48 | C | S | . | . | trans | -85 | 112.7 | 166.1 | -76.7 | -88.8 | 0 | 0 | 0 | 106.6 | S25 K102 L322 P323 W326 | S25-F27 PolarHBondContact O-N 3.38Å; S25-F27 WeakPolarHBondContact OG-CE2 3.37Å; F27-K102 HydrophobicContact CD1-CG 4.27Å; F27-K102 HydrophobicContact CE1-CD 4.36Å; F27-K102 HydrophobicContact CE1-CG 3.82Å; F27-L322 HydrophobicContact CB-CB 3.95Å; F27-L322 HydrophobicContact CD1-CB 3.87Å; F27-L322 HydrophobicContact CG-CB 4.31Å; F27-P323 HydrophobicContact CB-CG 3.82Å; F27-P323 HydrophobicContact CD1-CB 4.5Å; F27-P323 HydrophobicContact CD1-CG 4.31Å; F27-P323 HydrophobicContact CD2-CB 3.85Å; F27-P323 HydrophobicContact CD2-CG 3.59Å; F27-P323 HydrophobicContact CE2-CB 3.91Å; F27-P323 HydrophobicContact CE2-CG 4.19Å; F27-P323 HydrophobicContact CG-CB 4.15Å; F27-P323 HydrophobicContact CG-CG 3.65Å; F27-P323 HydrophobicContact CZ-CB 4.29Å; F27-W326 HydrophobicContact CE1-CB 3.52Å; F27-W326 AromaticContact CE1-CG 3.86Å; F27-W326 HydrophobicContact CE1-CG 3.86Å; F27-W326 HydrophobicContact CZ-CB 3.98Å; F27-W326 AromaticContact CZ-CD1 3.65Å; F27-W326 AromaticContact CZ-CG 3.96Å; F27-W326 HydrophobicContact CZ-CG 3.96Å | ||
| 28 | Q | 94.6 | Very high | 74.2 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | trans | -147.9 | 165.5 | -177.8 | 63.7 | 178.8 | 2 | 0 | 0 | 109 | H30 | Q28-H30 PolarHBondContact NE2-NE2 2.86Å; Q28-H30 VanDerWaalsContact NE2-NE2 3.18Å; Q28-H30 PolarHBondContact O-CE1 2.87Å; Q28-H30 PolarHBondContact O-ND1 3.04Å | ||
| 29 | H | 97.4 | Very high | 77.2 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | trans | -81.3 | 123.9 | 169.4 | -64.1 | -54.6 | 0 | 0 | 0 | 110.8 | F316 P317 E319 | H29-F316 HydrophobicContact CB-CE2 4.48Å; H29-F316 AromaticContact CD2-CE2 3.58Å; H29-F316 AromaticContact CE1-CD2 3.94Å; H29-F316 AromaticContact CE1-CE2 3.63Å; H29-F316 AromaticContact CG-CE2 3.69Å; H29-F316 AromaticContact ND1-CE2 3.72Å; H29-F316 AromaticContact NE2-CD2 3.93Å; H29-F316 AromaticContact NE2-CE2 3.54Å; H29-P317 PolarHBondContact CE1-O 2.81Å; H29-P317 PolarHBondContact NE2-O 3.18Å; H29-E319 WeakPolarHBondContact CD2-CG 3.3Å; H29-E319 IonicContact CD2-OE1 2.74Å; H29-E319 IonicContact CG-OE1 3.25Å; H29-E319 PolarHBondContact N-OE1 2.93Å; H29-E319 WeakPolarHBondContact NE2-CG 3.39Å; H29-E319 PolarHBondContact NE2-N 3.42Å | ||
| 30 | H | 98 | Very high | 80 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 3% | 0.032 | 39% | 0.392 | C | S | . | . | trans | -94.3 | 110 | -178.5 | -63.1 | 84.4 | 0 | 0 | 0 | 110.5 | Q28 D34 M35 R97 E98 I101 Y138 | Q28-H30 PolarHBondContact NE2-NE2 2.86Å; Q28-H30 VanDerWaalsContact NE2-NE2 3.18Å; Q28-H30 PolarHBondContact O-CE1 2.87Å; Q28-H30 PolarHBondContact O-ND1 3.04Å; H30-D34 HydrophobicContact CB-CB 4.24Å; H30-M35 HydrophobicContact CB-CB 4.14Å; H30-R97 VanDerWaalsContact O-CZ 3.22Å; H30-R97 PolarHBondContact O-NE 3.3Å; H30-R97 PolarHBondContact O-NH2 2.82Å; H30-E98 IonicContact CE1-OE2 3.18Å; H30-E98 IonicContact CG-OE2 2.76Å; H30-E98 PolarHBondContact N-OE1 3.42Å; H30-E98 PolarHBondContact N-OE2 2.78Å; H30-E98 IonicContact ND1-OE2 3.93Å; H30-E98 PolarHBondContact ND1-OE2 3.3Å; H30-I101 HydrophobicContact CB-CD1 3.81Å; H30-Y138 PolarHBondContact O-OH 3.1Å | ||
| 31 | R | 98.1 | Very high | 83.1 | Confident | 114 Ų | 114 | 65 Ų | 65 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | trans | -61 | 168.4 | 164.7 | -69.4 | -165.8 | 179.5 | -173.8 | -0.4 | 111.6 | E33 D34 M35 R97 Y138 A142 | R31-E33 VanDerWaalsContact C-N 3.34Å; R31-E33 PolarHBondContact O-N 3.45Å; R31-D34 PolarHBondContact O-N 2.78Å; R31-M35 PolarHBondContact O-N 2.8Å; R31-R97 PolarHBondContact O-NH2 3.15Å; R31-Y138 HydrophobicContact CG-CE1 4.33Å; R31-A142 PolarHBondContact NH2-O 3.15Å | ||
| 32 | Y | 98.8 | Very high | 86.1 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -50.1 | -52.3 | -172.6 | -178 | -104.1 | 0 | 0 | 0 | 112.9 | D34 M35 V36 R62 H63 Y65 P135 E139 | Y32-D34 VanDerWaalsContact C-N 3.32Å; Y32-D34 PolarHBondContact O-N 2.85Å; Y32-M35 HydrophobicContact CD2-CE 3.9Å; Y32-M35 HydrophobicContact CE2-CE 3.92Å; Y32-M35 PolarHBondContact O-N 3.2Å; Y32-V36 HydrophobicContact CD1-CG2 4.39Å; Y32-V36 HydrophobicContact CE1-CG2 3.96Å; Y32-V36 HydrophobicContact CE2-CG2 4.12Å; Y32-V36 VanDerWaalsContact O-CG2 3.27Å; Y32-V36 WeakPolarHBondContact O-CG2 3.46Å; Y32-V36 PolarHBondContact O-N 2.96Å; Y32-R62 HydrophobicContact CD1-CG 4.13Å; Y32-R62 HydrophobicContact CD2-CB 4.13Å; Y32-R62 HydrophobicContact CD2-CG 4.26Å; Y32-R62 HydrophobicContact CE1-CB 4.13Å; Y32-R62 HydrophobicContact CE1-CG 4.09Å; Y32-R62 HydrophobicContact CE2-CB 3.69Å; Y32-R62 HydrophobicContact CE2-CG 4.23Å; Y32-R62 HydrophobicContact CG-CG 4.21Å; Y32-H63 WeakPolarHBondContact CE2-O 3.17Å; Y32-H63 WeakPolarHBondContact OH-CA 3.42Å; Y32-H63 VanDerWaalsContact OH-CB 3.3Å; Y32-H63 WeakPolarHBondContact OH-CB 3.42Å; Y32-H63 PolarHBondContact OH-N 2.8Å; Y32-H63 PolarHBondContact OH-O 3Å; Y32-Y65 WeakPolarHBondContact OH-CE2 3.42Å; Y32-P135 HydrophobicContact CD2-CB 3.82Å; Y32-P135 HydrophobicContact CE2-CB 4.13Å; Y32-E139 WeakPolarHBondContact CB-OE1 3.33Å; Y32-E139 PolarHBondContact N-OE1 3.03Å |
| 33 | E | 98.4 | Very high | 88.9 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 179.9 | -62.9 | -58.5 | 144.5 | 0 | 0 | 112.5 | R31 V36 R37 | R31-E33 VanDerWaalsContact C-N 3.34Å; R31-E33 PolarHBondContact O-N 3.45Å; E33-V36 PolarHBondContact O-N 3.05Å; E33-R37 VanDerWaalsContact O-CG 3.26Å; E33-R37 WeakPolarHBondContact O-CG 3.01Å; E33-R37 PolarHBondContact O-N 3.36Å |
| 34 | D | 98.3 | Very high | 91.5 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 180 | -60 | -46.9 | 0 | 0 | 0 | 111.7 | H30 R31 Y32 V36 R37 V38 | H30-D34 HydrophobicContact CB-CB 4.24Å; R31-D34 PolarHBondContact O-N 2.78Å; Y32-D34 VanDerWaalsContact C-N 3.32Å; Y32-D34 PolarHBondContact O-N 2.85Å; D34-V36 VanDerWaalsContact C-N 3.33Å; D34-V36 PolarHBondContact O-N 3.42Å; D34-R37 PolarHBondContact O-N 2.86Å; D34-R37 IonicContact OD1-CZ 2.64Å; D34-R37 IonicContact OD1-NH1 3.3Å; D34-R37 PolarHBondContact OD1-NH1 2.9Å; D34-V38 WeakPolarHBondContact O-CG2 3.29Å; D34-V38 PolarHBondContact O-N 2.92Å |
| 35 | M | 98.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 171.5 | 174.7 | -167.2 | 76 | 0 | 0 | 110.1 | H30 R31 Y32 R37 V38 L39 R97 I101 P131 | H30-M35 HydrophobicContact CB-CB 4.14Å; R31-M35 PolarHBondContact O-N 2.8Å; Y32-M35 HydrophobicContact CD2-CE 3.9Å; Y32-M35 HydrophobicContact CE2-CE 3.92Å; Y32-M35 PolarHBondContact O-N 3.2Å; M35-R37 PolarHBondContact O-N 2.82Å; M35-V38 PolarHBondContact O-N 2.69Å; M35-L39 HydrophobicContact CG-CD1 4.24Å; M35-L39 HydrophobicContact CG-CG 4.46Å; M35-L39 WeakPolarHBondContact O-CG 3.42Å; M35-L39 PolarHBondContact O-N 3.21Å; M35-R97 VanDerWaalsContact CB-NH2 3.28Å; M35-R97 PolarHBondContact SD-NH2 3.09Å; M35-R97 VanDerWaalsContact SD-NH2 3.41Å; M35-I101 HydrophobicContact CB-CD1 4.03Å; M35-I101 HydrophobicContact CG-CD1 3.74Å; M35-I101 HydrophobicContact CG-CG1 4.15Å; M35-P131 HydrophobicContact SD-CB 3.98Å |
| 36 | V | 98.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | Y32 E33 D34 V38 L39 F40 Y65 | Y32-V36 HydrophobicContact CD1-CG2 4.39Å; Y32-V36 HydrophobicContact CE1-CG2 3.96Å; Y32-V36 HydrophobicContact CE2-CG2 4.12Å; Y32-V36 VanDerWaalsContact O-CG2 3.27Å; Y32-V36 WeakPolarHBondContact O-CG2 3.46Å; Y32-V36 PolarHBondContact O-N 2.96Å; E33-V36 PolarHBondContact O-N 3.05Å; D34-V36 VanDerWaalsContact C-N 3.33Å; D34-V36 PolarHBondContact O-N 3.42Å; V36-V38 VanDerWaalsContact C-N 3.31Å; V36-V38 PolarHBondContact O-N 3.26Å; V36-L39 PolarHBondContact O-N 3.42Å; V36-F40 HydrophobicContact CG1-CD2 3.66Å; V36-F40 HydrophobicContact CG1-CE2 3.75Å; V36-F40 WeakPolarHBondContact O-CD2 3.49Å; V36-F40 PolarHBondContact O-N 3.25Å; V36-Y65 HydrophobicContact CB-CE2 4.46Å; V36-Y65 HydrophobicContact CG1-CE2 4.03Å; V36-Y65 HydrophobicContact CG2-CD2 3.65Å; V36-Y65 HydrophobicContact CG2-CE2 3.55Å |
| 37 | R | 98.6 | Very high | 97.9 | Very high | 154 Ų | 154 | 52 Ų | 52 | 58% | 0.581 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -55.8 | -44.4 | 177.3 | -72.6 | 168.9 | -165.9 | 154.4 | 0.5 | 112.3 | E33 D34 M35 F40 A41 | E33-R37 VanDerWaalsContact O-CG 3.26Å; E33-R37 WeakPolarHBondContact O-CG 3.01Å; E33-R37 PolarHBondContact O-N 3.36Å; D34-R37 PolarHBondContact O-N 2.86Å; D34-R37 IonicContact OD1-CZ 2.64Å; D34-R37 IonicContact OD1-NH1 3.3Å; D34-R37 PolarHBondContact OD1-NH1 2.9Å; M35-R37 PolarHBondContact O-N 2.82Å; R37-F40 PolarHBondContact O-N 2.78Å; R37-A41 WeakPolarHBondContact O-CB 3.47Å; R37-A41 PolarHBondContact O-N 2.85Å |
| 38 | V | 98.3 | Very high | 98.2 | Very high | 22 Ų | 22 | 59.3 Ų | 59.3 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | D34 M35 V36 F40 A41 V42 I101 Q105 | D34-V38 WeakPolarHBondContact O-CG2 3.29Å; D34-V38 PolarHBondContact O-N 2.92Å; M35-V38 PolarHBondContact O-N 2.69Å; V36-V38 VanDerWaalsContact C-N 3.31Å; V36-V38 PolarHBondContact O-N 3.26Å; V38-F40 VanDerWaalsContact C-N 3.35Å; V38-F40 PolarHBondContact O-N 2.84Å; V38-A41 WeakPolarHBondContact O-CB 3.23Å; V38-A41 PolarHBondContact O-N 2.92Å; V38-V42 WeakPolarHBondContact O-CG2 3.48Å; V38-V42 PolarHBondContact O-N 2.98Å; V38-I101 HydrophobicContact CB-CG2 4.24Å; V38-I101 HydrophobicContact CG1-CG2 3.54Å; V38-Q105 HydrophobicContact CG1-CG 4.14Å |
| 39 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 177.6 | -64.9 | 178.5 | 0 | 0 | 0 | 112.1 | M35 V36 A41 V42 H43 I52 L67 P131 | M35-L39 HydrophobicContact CG-CD1 4.24Å; M35-L39 HydrophobicContact CG-CG 4.46Å; M35-L39 WeakPolarHBondContact O-CG 3.42Å; M35-L39 PolarHBondContact O-N 3.21Å; V36-L39 PolarHBondContact O-N 3.42Å; L39-A41 VanDerWaalsContact C-N 3.35Å; L39-V42 PolarHBondContact O-N 2.86Å; L39-H43 PolarHBondContact O-N 3.26Å; L39-I52 HydrophobicContact CB-CD1 3.73Å; L39-L67 HydrophobicContact CD2-CB 4.25Å; L39-L67 HydrophobicContact CD2-CD2 4.08Å; L39-P131 HydrophobicContact CD1-CG 4.16Å; L39-P131 HydrophobicContact CD2-CG 4.07Å |
| 40 | F | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 54.9 Ų | 54.9 | 39% | 0.386 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 175 | -85.7 | -86.5 | 0 | 0 | 0 | 112.6 | V36 R37 V38 H43 S44 I52 Y65 | V36-F40 HydrophobicContact CG1-CD2 3.66Å; V36-F40 HydrophobicContact CG1-CE2 3.75Å; V36-F40 WeakPolarHBondContact O-CD2 3.49Å; V36-F40 PolarHBondContact O-N 3.25Å; R37-F40 PolarHBondContact O-N 2.78Å; V38-F40 VanDerWaalsContact C-N 3.35Å; V38-F40 PolarHBondContact O-N 2.84Å; F40-H43 PolarHBondContact O-N 3.46Å; F40-S44 WeakPolarHBondContact O-CB 3.11Å; F40-S44 PolarHBondContact O-N 2.76Å; F40-I52 HydrophobicContact CD1-CD1 4.48Å; F40-I52 HydrophobicContact CD1-CG2 4.17Å; F40-I52 HydrophobicContact CD2-CD1 3.62Å; F40-I52 HydrophobicContact CE1-CD1 4.42Å; F40-I52 HydrophobicContact CE1-CG2 3.68Å; F40-I52 HydrophobicContact CE2-CD1 3.55Å; F40-I52 HydrophobicContact CG-CD1 4.11Å; F40-I52 HydrophobicContact CZ-CD1 3.98Å; F40-I52 HydrophobicContact CZ-CG2 3.9Å; F40-Y65 HydrophobicContact CE2-CE1 4.12Å; F40-Y65 HydrophobicContact CZ-CE1 4.37Å |
| 41 | A | 98.5 | Very high | 98.5 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R37 V38 L39 H43 S44 D45 | R37-A41 WeakPolarHBondContact O-CB 3.47Å; R37-A41 PolarHBondContact O-N 2.85Å; V38-A41 WeakPolarHBondContact O-CB 3.23Å; V38-A41 PolarHBondContact O-N 2.92Å; L39-A41 VanDerWaalsContact C-N 3.35Å; A41-H43 VanDerWaalsContact C-N 3.3Å; A41-H43 PolarHBondContact O-N 3.2Å; A41-S44 WeakPolarHBondContact O-CB 3.33Å; A41-S44 PolarHBondContact O-N 2.86Å; A41-S44 VanDerWaalsContact O-N 3.1Å; A41-D45 PolarHBondContact O-N 2.83Å |
| 42 | V | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 173.9 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | V38 L39 S44 D45 C46 L67 F69 S104 Q105 C108 | V38-V42 WeakPolarHBondContact O-CG2 3.48Å; V38-V42 PolarHBondContact O-N 2.98Å; L39-V42 PolarHBondContact O-N 2.86Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-S44 PolarHBondContact O-N 2.97Å; V42-D45 PolarHBondContact O-N 2.93Å; V42-C46 PolarHBondContact O-N 3.23Å; V42-L67 HydrophobicContact CB-CD2 4.11Å; V42-L67 HydrophobicContact CG1-CD2 3.73Å; V42-F69 HydrophobicContact CG1-CE1 4.37Å; V42-F69 HydrophobicContact CG1-CZ 3.84Å; V42-S104 WeakPolarHBondContact CG1-O 3.22Å; V42-Q105 HydrophobicContact CG2-CB 4.42Å; V42-Q105 HydrophobicContact CG2-CG 3.66Å; V42-C108 HydrophobicContact CG1-CB 3.88Å |
| 43 | H | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 55 Ų | 55 | 26% | 0.255 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.2 | 177.6 | 58.6 | 0 | 0 | 0 | 112.4 | L39 F40 A41 D45 C46 P47 T50 L67 | L39-H43 PolarHBondContact O-N 3.26Å; F40-H43 PolarHBondContact O-N 3.46Å; A41-H43 VanDerWaalsContact C-N 3.3Å; A41-H43 PolarHBondContact O-N 3.2Å; H43-D45 VanDerWaalsContact C-N 3.29Å; H43-D45 PolarHBondContact O-N 3.35Å; H43-C46 CarbonylContact O-C 3.57Å; H43-C46 VanDerWaalsContact O-C 3.31Å; H43-C46 PolarHBondContact O-N 2.7Å; H43-P47 WeakPolarHBondContact O-CA 3.26Å; H43-P47 WeakPolarHBondContact O-CB 3.19Å; H43-P47 WeakPolarHBondContact O-CD 3.43Å; H43-T50 WeakPolarHBondContact CA-OG1 3.47Å; H43-T50 PolarHBondContact CE1-O 3.01Å; H43-T50 VanDerWaalsContact CE1-O 3.29Å; H43-T50 PolarHBondContact ND1-O 3.49Å; H43-T50 PolarHBondContact ND1-OG1 2.96Å; H43-L67 HydrophobicContact CB-CD1 4.38Å |
| 44 | S | 98.5 | Very high | 98.6 | Very high | 89 Ų | 89 | 51.9 Ų | 51.9 | 62% | 0.622 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.2 | -33.1 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | F40 A41 V42 | F40-S44 WeakPolarHBondContact O-CB 3.11Å; F40-S44 PolarHBondContact O-N 2.76Å; A41-S44 WeakPolarHBondContact O-CB 3.33Å; A41-S44 PolarHBondContact O-N 2.86Å; A41-S44 VanDerWaalsContact O-N 3.1Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-S44 PolarHBondContact O-N 2.97Å |
| 45 | D | 98.4 | Very high | 98.6 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79 | -29.7 | 179.2 | -78.9 | -19.2 | 0 | 0 | 0 | 112.8 | A41 V42 H43 P47 R112 | A41-D45 PolarHBondContact O-N 2.83Å; V42-D45 PolarHBondContact O-N 2.93Å; H43-D45 VanDerWaalsContact C-N 3.29Å; H43-D45 PolarHBondContact O-N 3.35Å; D45-P47 VanDerWaalsContact C-CD 3.49Å; D45-R112 IonicContact OD1-NH1 2.73Å; D45-R112 IonicContact OD2-NH1 2.67Å |
| 46 | C | 98.5 | Very high | 98.6 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -130.5 | 56.2 | -178.4 | -73.4 | 0 | 0 | 0 | 0 | 112.9 | V42 H43 Y48 I49 T50 C108 R112 | V42-C46 PolarHBondContact O-N 3.23Å; H43-C46 CarbonylContact O-C 3.57Å; H43-C46 VanDerWaalsContact O-C 3.31Å; H43-C46 PolarHBondContact O-N 2.7Å; C46-Y48 VanDerWaalsContact C-N 3.31Å; C46-Y48 PolarHBondContact O-N 3.37Å; C46-I49 HydrophobicContact CB-CD1 4.02Å; C46-I49 HydrophobicContact CB-CG1 3.71Å; C46-I49 PolarHBondContact O-N 2.83Å; C46-T50 HydrophobicContact CB-CG2 4.16Å; C46-T50 WeakPolarHBondContact O-CB 3.32Å; C46-T50 PolarHBondContact O-N 3.32Å; C46-T50 PolarHBondContact O-OG1 3.24Å; C46-C108 HydrophobicContact CB-CB 3.88Å; C46-C108 WeakPolarHBondContact CB-SG 3.49Å; C46-C108 WeakPolarHBondContact SG-CA 3.38Å; C46-C108 WeakPolarHBondContact SG-CB 2.9Å; C46-C108 PolarHBondContact SG-O 2.86Å; C46-C108 CovalentContact SG-SG 2.04Å; C46-C108 PolarHBondContact SG-SG 3.39Å; C46-R112 VanDerWaalsContact SG-CD 3.57Å |
| 47 | P | 98.3 | Very high | 98.6 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 38% | 0.377 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -25.9 | -167.5 | 27.2 | -36.1 | 0 | 0 | 0 | 114 | H43 D45 | H43-P47 WeakPolarHBondContact O-CA 3.26Å; H43-P47 WeakPolarHBondContact O-CB 3.19Å; H43-P47 WeakPolarHBondContact O-CD 3.43Å; D45-P47 VanDerWaalsContact C-CD 3.49Å |
| 48 | Y | 97.9 | Very high | 98.6 | Very high | 200 Ų | 200 | 50.1 Ų | 50.1 | 78% | 0.784 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.1 | -178.5 | -60.3 | -67.9 | 0 | 0 | 0 | 113.9 | C46 P73 | C46-Y48 VanDerWaalsContact C-N 3.31Å; C46-Y48 PolarHBondContact O-N 3.37Å; Y48-P73 WeakPolarHBondContact O-CD 3.19Å |
| 49 | I | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -119.8 | 11 | 179.7 | 61.5 | 153.6 | 0 | 0 | 0 | 112.8 | C46 F69 S70 Y111 I122 | C46-I49 HydrophobicContact CB-CD1 4.02Å; C46-I49 HydrophobicContact CB-CG1 3.71Å; C46-I49 PolarHBondContact O-N 2.83Å; I49-F69 HydrophobicContact CD1-CD1 4.38Å; I49-F69 VanDerWaalsContact O-CA 3.27Å; I49-F69 WeakPolarHBondContact O-CA 3.08Å; I49-S70 CarbonylContact C-O 3.55Å; I49-S70 VanDerWaalsContact C-O 3.29Å; I49-S70 WeakPolarHBondContact CA-O 3.45Å; I49-S70 PolarHBondContact O-N 3.3Å; I49-Y111 HydrophobicContact CD1-CD1 3.42Å; I49-Y111 VanDerWaalsContact CD1-CD1 3.42Å; I49-Y111 HydrophobicContact CD1-CD2 3.94Å; I49-Y111 HydrophobicContact CD1-CE1 3.87Å; I49-Y111 HydrophobicContact CD1-CE2 4.34Å; I49-Y111 HydrophobicContact CD1-CG 3.47Å; I49-Y111 VanDerWaalsContact CD1-CG 3.47Å; I49-Y111 HydrophobicContact CG1-CD1 4.27Å; I49-Y111 HydrophobicContact CG1-CE1 4.32Å; I49-Y111 HydrophobicContact CG2-CD1 4.47Å; I49-Y111 HydrophobicContact CG2-CE1 3.74Å; I49-Y111 HydrophobicContact CG2-CE2 4.24Å; I49-I122 HydrophobicContact CB-CG2 4.21Å; I49-I122 HydrophobicContact CD1-CD1 3.99Å; I49-I122 HydrophobicContact CD1-CG2 4.4Å |
| 50 | T | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.2 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 113 | H43 C46 E68 F69 | H43-T50 WeakPolarHBondContact CA-OG1 3.47Å; H43-T50 PolarHBondContact CE1-O 3.01Å; H43-T50 VanDerWaalsContact CE1-O 3.29Å; H43-T50 PolarHBondContact ND1-O 3.49Å; H43-T50 PolarHBondContact ND1-OG1 2.96Å; C46-T50 HydrophobicContact CB-CG2 4.16Å; C46-T50 WeakPolarHBondContact O-CB 3.32Å; C46-T50 PolarHBondContact O-N 3.32Å; C46-T50 PolarHBondContact O-OG1 3.24Å; T50-E68 CarbonylContact C-O 3.25Å; T50-E68 WeakPolarHBondContact CA-O 3.43Å; T50-E68 WeakPolarHBondContact CB-O 3.36Å; T50-F69 HydrophobicContact CG2-CD1 3.51Å; T50-F69 HydrophobicContact CG2-CE1 3.38Å; T50-F69 HydrophobicContact CG2-CE2 4.42Å; T50-F69 HydrophobicContact CG2-CG 4.1Å; T50-F69 HydrophobicContact CG2-CZ 3.86Å |
| 51 | R | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 128.9 | 167.4 | -178.3 | -179.9 | 87.1 | 124.1 | 9.1 | 110.2 | E68 P73 Y211 | R51-E68 HydrophobicContact CB-CB 4.16Å; R51-E68 IonicContact CZ-OE2 3.72Å; R51-E68 PolarHBondContact N-O 2.89Å; R51-E68 IonicContact NE-OE2 2.78Å; R51-E68 PolarHBondContact NE-OE2 3.03Å; R51-E68 IonicContact NH2-OE2 2.83Å; R51-E68 PolarHBondContact NH2-OE2 3.45Å; R51-E68 VanDerWaalsContact O-CB 3.27Å; R51-E68 WeakPolarHBondContact O-CB 3.26Å; R51-E68 PolarHBondContact O-N 3.04Å; R51-P73 HydrophobicContact CB-CB 3.92Å; R51-Y211 PolarHBondContact NH2-OH 2.97Å |
| 52 | I | 98.5 | Very high | 98.7 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.1 | 172.3 | -164.2 | 168.4 | 0 | 0 | 0 | 110.2 | L39 F40 Y65 V66 L67 | L39-I52 HydrophobicContact CB-CD1 3.73Å; F40-I52 HydrophobicContact CD1-CD1 4.48Å; F40-I52 HydrophobicContact CD1-CG2 4.17Å; F40-I52 HydrophobicContact CD2-CD1 3.62Å; F40-I52 HydrophobicContact CE1-CD1 4.42Å; F40-I52 HydrophobicContact CE1-CG2 3.68Å; F40-I52 HydrophobicContact CE2-CD1 3.55Å; F40-I52 HydrophobicContact CG-CD1 4.11Å; F40-I52 HydrophobicContact CZ-CD1 3.98Å; F40-I52 HydrophobicContact CZ-CG2 3.9Å; I52-Y65 HydrophobicContact CD1-CD1 4.06Å; I52-Y65 HydrophobicContact CD1-CE1 4.49Å; I52-Y65 HydrophobicContact CG1-CD1 3.92Å; I52-Y65 HydrophobicContact CG1-CE1 4.49Å; I52-V66 WeakPolarHBondContact CA-O 3.44Å; I52-L67 HydrophobicContact CB-CD1 4.13Å |
| 53 | Y | 98.9 | Very high | 98.7 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 167.4 | 174.2 | 66.1 | -85.3 | 0 | 0 | 0 | 110.8 | I55 Y65 V66 E68 H128 W207 | Y53-I55 HydrophobicContact CD2-CG2 4.11Å; Y53-I55 HydrophobicContact CE2-CG2 3.53Å; Y53-Y65 WeakPolarHBondContact O-CA 3.48Å; Y53-V66 HydrophobicContact CD1-CB 4.37Å; Y53-V66 HydrophobicContact CD2-CB 4.39Å; Y53-V66 HydrophobicContact CE1-CB 3.86Å; Y53-V66 HydrophobicContact CE1-CG1 3.78Å; Y53-V66 HydrophobicContact CE2-CB 3.89Å; Y53-V66 HydrophobicContact CE2-CG1 4.35Å; Y53-V66 HydrophobicContact CE2-CG2 4.14Å; Y53-V66 PolarHBondContact N-O 3.48Å; Y53-V66 PolarHBondContact O-N 2.98Å; Y53-V66 VanDerWaalsContact OH-CG1 3.31Å; Y53-V66 WeakPolarHBondContact OH-CG1 3.48Å; Y53-E68 HydrophobicContact CE1-CB 4.13Å; Y53-H128 AromaticContact CE1-ND1 3.83Å; Y53-H128 AromaticContact CZ-ND1 3.73Å; Y53-H128 PolarHBondContact OH-ND1 3.45Å; Y53-W207 PolarHBondContact OH-NE1 3.45Å |
| 54 | S | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.8 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | G56 H63 L64 | S54-G56 PolarHBondContact OG-N 2.89Å; S54-G56 PolarHBondContact OG-O 3.13Å; S54-H63 WeakPolarHBondContact CB-ND1 3.38Å; S54-H63 WeakPolarHBondContact OG-CB 3.37Å; S54-H63 PolarHBondContact OG-ND1 2.9Å; S54-L64 VanDerWaalsContact CA-O 3.29Å; S54-L64 WeakPolarHBondContact CA-O 3.49Å; S54-L64 PolarHBondContact OG-O 3.23Å |
| 55 | I | 98.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -7.6 | 177.6 | 57.9 | 168.2 | 0 | 0 | 0 | 113.2 | Y53 L64 V66 L130 A203 V204 W207 | Y53-I55 HydrophobicContact CD2-CG2 4.11Å; Y53-I55 HydrophobicContact CE2-CG2 3.53Å; I55-L64 HydrophobicContact CD1-CB 4.17Å; I55-L64 HydrophobicContact CD1-CD2 4.23Å; I55-L64 HydrophobicContact CG1-CB 3.61Å; I55-L64 HydrophobicContact CG1-CD2 4.35Å; I55-L64 PolarHBondContact N-O 2.81Å; I55-V66 HydrophobicContact CG1-CG2 4.43Å; I55-V66 HydrophobicContact CG2-CG2 3.73Å; I55-L130 HydrophobicContact CD1-CD2 3.82Å; I55-A203 HydrophobicContact CD1-CB 4.4Å; I55-A203 HydrophobicContact CG1-CB 4.26Å; I55-A203 WeakPolarHBondContact O-CB 3.38Å; I55-V204 HydrophobicContact CD1-CG2 3.82Å; I55-W207 HydrophobicContact CB-CB 4.16Å; I55-W207 HydrophobicContact CB-CG 4.39Å; I55-W207 HydrophobicContact CD1-CB 4.28Å; I55-W207 HydrophobicContact CD1-CD2 4.34Å; I55-W207 HydrophobicContact CD1-CE3 4.09Å; I55-W207 HydrophobicContact CD1-CG 4.45Å; I55-W207 HydrophobicContact CG2-CB 3.85Å; I55-W207 HydrophobicContact CG2-CD2 4.06Å; I55-W207 HydrophobicContact CG2-CG 3.58Å |
| 56 | G | 98.8 | Very high | 98.7 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158 | -172.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S54 H63 L64 | S54-G56 PolarHBondContact OG-N 2.89Å; S54-G56 PolarHBondContact OG-O 3.13Å; G56-H63 WeakPolarHBondContact O-CA 3.37Å; G56-L64 PolarHBondContact O-N 2.93Å |
| 57 | R | 98.9 | Very high | 98.8 | Very high | 134 Ų | 134 | 45.3 Ų | 45.3 | 51% | 0.506 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.6 | 175.3 | -65.3 | 179.3 | -177.9 | -80.9 | -1.8 | 109.9 | G61 R62 H63 | R57-G61 PolarHBondContact NH1-O 3.26Å; R57-R62 CarbonylContact C-O 3.59Å; R57-R62 VanDerWaalsContact CA-O 3.22Å; R57-R62 WeakPolarHBondContact CA-O 3.42Å; R57-H63 PolarHBondContact NH1-CD2 2.84Å; R57-H63 VanDerWaalsContact NH1-CD2 3.34Å; R57-H63 PolarHBondContact NH1-CE1 3.46Å; R57-H63 PolarHBondContact NH1-NE2 3.46Å; R57-H63 PolarHBondContact NH2-CE1 3.21Å; R57-H63 PolarHBondContact NH2-NE2 3.35Å |
| 58 | S | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -66 | 173.2 | 167.2 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | E60 G61 R62 L64 D136 E200 | S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.43Å; S58-G61 PolarHBondContact O-N 2.94Å; S58-G61 PolarHBondContact OG-N 2.87Å; S58-R62 PolarHBondContact N-O 3.45Å; S58-R62 WeakPolarHBondContact OG-CB 3.2Å; S58-R62 PolarHBondContact OG-N 2.93Å; S58-R62 PolarHBondContact OG-O 3.01Å; S58-L64 VanDerWaalsContact N-CD1 3.31Å; S58-D136 VanDerWaalsContact CB-CG 3.44Å; S58-D136 VanDerWaalsContact CB-OD1 3.22Å; S58-D136 WeakPolarHBondContact CB-OD1 3.35Å; S58-D136 VanDerWaalsContact CB-OD2 3.29Å; S58-D136 WeakPolarHBondContact CB-OD2 3.27Å; S58-D136 PolarHBondContact OG-OD1 3.21Å; S58-D136 PolarHBondContact OG-OD2 3.3Å; S58-D136 VanDerWaalsContact OG-OD2 3.13Å; S58-E200 WeakPolarHBondContact CA-OE1 3.16Å; S58-E200 VanDerWaalsContact CB-OE1 3.26Å; S58-E200 WeakPolarHBondContact CB-OE1 3.31Å | ||
| 59 | V | 98.8 | Very high | 98.8 | Very high | 47 Ų | 47 | 33 Ų | 33 | 29% | 0.285 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -40.2 | 175 | 172.3 | 0 | 0 | 0 | 0 | 112.3 | G61 D136 S158 R159 P199 E200 | V59-G61 PolarHBondContact O-N 2.87Å; V59-D136 PolarHBondContact N-OD2 2.81Å; V59-S158 WeakPolarHBondContact CB-OG 3.23Å; V59-S158 WeakPolarHBondContact CG1-OG 3.31Å; V59-R159 HydrophobicContact CG1-CG 4.04Å; V59-R159 HydrophobicContact CG2-CG 4.19Å; V59-P199 HydrophobicContact CB-CG 4.28Å; V59-P199 HydrophobicContact CG2-CG 3.36Å; V59-E200 PolarHBondContact N-OE1 2.82Å |
| 60 | E | 98.7 | Very high | 98.8 | Very high | 103 Ų | 103 | 32.7 Ų | 32.7 | 48% | 0.481 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 9.5 | 177 | -62 | -172.9 | 169.2 | 0 | 0 | 113.5 | S58 R62 D136 | S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.43Å; E60-R62 IonicContact OE2-CZ 2.9Å; E60-R62 IonicContact OE2-NH1 3.31Å; E60-R62 PolarHBondContact OE2-NH1 3.47Å; E60-R62 IonicContact OE2-NH2 2.71Å; E60-R62 PolarHBondContact OE2-NH2 2.8Å; E60-R62 VanDerWaalsContact OE2-NH2 3.16Å; E60-D136 WeakPolarHBondContact CB-OD2 3.36Å; E60-D136 HydrophobicContact CG-CB 4.48Å; E60-D136 WeakPolarHBondContact CG-OD2 3.28Å; E60-D136 PolarHBondContact N-OD2 3.08Å |
| 61 | G | 98.7 | Very high | 98.8 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 31% | 0.309 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 87.2 | 4.7 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | R57 S58 V59 | R57-G61 PolarHBondContact NH1-O 3.26Å; S58-G61 PolarHBondContact O-N 2.94Å; S58-G61 PolarHBondContact OG-N 2.87Å; V59-G61 PolarHBondContact O-N 2.87Å |
| 62 | R | 98.9 | Very high | 98.8 | Very high | 43 Ų | 43 | 34.5 Ų | 34.5 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | trans | -70.8 | 131.3 | 175.1 | -64.8 | -175.6 | -175.9 | 81.2 | 5.1 | 109.9 | Y32 R57 S58 E60 L64 P135 D136 | Y32-R62 HydrophobicContact CD1-CG 4.13Å; Y32-R62 HydrophobicContact CD2-CB 4.13Å; Y32-R62 HydrophobicContact CD2-CG 4.26Å; Y32-R62 HydrophobicContact CE1-CB 4.13Å; Y32-R62 HydrophobicContact CE1-CG 4.09Å; Y32-R62 HydrophobicContact CE2-CB 3.69Å; Y32-R62 HydrophobicContact CE2-CG 4.23Å; Y32-R62 HydrophobicContact CG-CG 4.21Å; R57-R62 CarbonylContact C-O 3.59Å; R57-R62 VanDerWaalsContact CA-O 3.22Å; R57-R62 WeakPolarHBondContact CA-O 3.42Å; S58-R62 PolarHBondContact N-O 3.45Å; S58-R62 WeakPolarHBondContact OG-CB 3.2Å; S58-R62 PolarHBondContact OG-N 2.93Å; S58-R62 PolarHBondContact OG-O 3.01Å; E60-R62 IonicContact OE2-CZ 2.9Å; E60-R62 IonicContact OE2-NH1 3.31Å; E60-R62 PolarHBondContact OE2-NH1 3.47Å; E60-R62 IonicContact OE2-NH2 2.71Å; E60-R62 PolarHBondContact OE2-NH2 2.8Å; E60-R62 VanDerWaalsContact OE2-NH2 3.16Å; R62-L64 PolarHBondContact O-N 3.33Å; R62-P135 HydrophobicContact CB-CB 4.23Å; R62-P135 HydrophobicContact CB-CG 3.89Å; R62-D136 IonicContact CZ-OD1 2.74Å; R62-D136 IonicContact NH1-OD1 3.69Å; R62-D136 PolarHBondContact NH1-OD1 3.03Å | ||
| 63 | H | 98.9 | Very high | 98.8 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 22% | 0.222 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 135.3 | 173 | -72.9 | -78.6 | 0 | 0 | 0 | 111.6 | Y32 S54 G56 R57 Y65 | Y32-H63 WeakPolarHBondContact CE2-O 3.17Å; Y32-H63 WeakPolarHBondContact OH-CA 3.42Å; Y32-H63 VanDerWaalsContact OH-CB 3.3Å; Y32-H63 WeakPolarHBondContact OH-CB 3.42Å; Y32-H63 PolarHBondContact OH-N 2.8Å; Y32-H63 PolarHBondContact OH-O 3Å; S54-H63 WeakPolarHBondContact CB-ND1 3.38Å; S54-H63 WeakPolarHBondContact OG-CB 3.37Å; S54-H63 PolarHBondContact OG-ND1 2.9Å; G56-H63 WeakPolarHBondContact O-CA 3.37Å; R57-H63 PolarHBondContact NH1-CD2 2.84Å; R57-H63 VanDerWaalsContact NH1-CD2 3.34Å; R57-H63 PolarHBondContact NH1-CE1 3.46Å; R57-H63 PolarHBondContact NH1-NE2 3.46Å; R57-H63 PolarHBondContact NH2-CE1 3.21Å; R57-H63 PolarHBondContact NH2-NE2 3.35Å; H63-Y65 HydrophobicContact CB-CD1 4.46Å; H63-Y65 HydrophobicContact CB-CD2 3.72Å; H63-Y65 HydrophobicContact CB-CE1 4.22Å; H63-Y65 HydrophobicContact CB-CE2 3.45Å; H63-Y65 VanDerWaalsContact CB-CE2 3.45Å; H63-Y65 HydrophobicContact CB-CG 4.23Å; H63-Y65 AromaticContact CD2-CZ 3.95Å; H63-Y65 PolarHBondContact CD2-OH 3.04Å; H63-Y65 AromaticContact CG-CZ 3.95Å; H63-Y65 PolarHBondContact O-N 2.71Å |
| 64 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 95.1 | 163.6 | -79.9 | 64.4 | 0 | 0 | 0 | 106.8 | S54 I55 G56 S58 R62 L130 P135 E200 A203 | S54-L64 VanDerWaalsContact CA-O 3.29Å; S54-L64 WeakPolarHBondContact CA-O 3.49Å; S54-L64 PolarHBondContact OG-O 3.23Å; I55-L64 HydrophobicContact CD1-CB 4.17Å; I55-L64 HydrophobicContact CD1-CD2 4.23Å; I55-L64 HydrophobicContact CG1-CB 3.61Å; I55-L64 HydrophobicContact CG1-CD2 4.35Å; I55-L64 PolarHBondContact N-O 2.81Å; G56-L64 PolarHBondContact O-N 2.93Å; S58-L64 VanDerWaalsContact N-CD1 3.31Å; R62-L64 PolarHBondContact O-N 3.33Å; L64-L130 HydrophobicContact CB-CD1 4.3Å; L64-P135 HydrophobicContact CD1-CG 4.25Å; L64-E200 HydrophobicContact CD1-CG 4.42Å; L64-E200 HydrophobicContact CD2-CB 4.13Å; L64-E200 HydrophobicContact CD2-CG 4.32Å; L64-A203 HydrophobicContact CD2-CB 4.2Å |
| 65 | Y | 98.9 | Very high | 98.7 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 14% | 0.137 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.6 | -177.1 | -80.9 | -68.1 | 0 | 0 | 0 | 111.8 | Y32 V36 F40 I52 Y53 H63 L130 | Y32-Y65 WeakPolarHBondContact OH-CE2 3.42Å; V36-Y65 HydrophobicContact CB-CE2 4.46Å; V36-Y65 HydrophobicContact CG1-CE2 4.03Å; V36-Y65 HydrophobicContact CG2-CD2 3.65Å; V36-Y65 HydrophobicContact CG2-CE2 3.55Å; F40-Y65 HydrophobicContact CE2-CE1 4.12Å; F40-Y65 HydrophobicContact CZ-CE1 4.37Å; I52-Y65 HydrophobicContact CD1-CD1 4.06Å; I52-Y65 HydrophobicContact CD1-CE1 4.49Å; I52-Y65 HydrophobicContact CG1-CD1 3.92Å; I52-Y65 HydrophobicContact CG1-CE1 4.49Å; Y53-Y65 WeakPolarHBondContact O-CA 3.48Å; H63-Y65 HydrophobicContact CB-CD1 4.46Å; H63-Y65 HydrophobicContact CB-CD2 3.72Å; H63-Y65 HydrophobicContact CB-CE1 4.22Å; H63-Y65 HydrophobicContact CB-CE2 3.45Å; H63-Y65 VanDerWaalsContact CB-CE2 3.45Å; H63-Y65 HydrophobicContact CB-CG 4.23Å; H63-Y65 AromaticContact CD2-CZ 3.95Å; H63-Y65 PolarHBondContact CD2-OH 3.04Å; H63-Y65 AromaticContact CG-CZ 3.95Å; H63-Y65 PolarHBondContact O-N 2.71Å; Y65-L130 WeakPolarHBondContact O-CD1 3.44Å |
| 66 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134 | 170.9 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | I52 Y53 I55 H128 I129 L130 W207 | I52-V66 WeakPolarHBondContact CA-O 3.44Å; Y53-V66 HydrophobicContact CD1-CB 4.37Å; Y53-V66 HydrophobicContact CD2-CB 4.39Å; Y53-V66 HydrophobicContact CE1-CB 3.86Å; Y53-V66 HydrophobicContact CE1-CG1 3.78Å; Y53-V66 HydrophobicContact CE2-CB 3.89Å; Y53-V66 HydrophobicContact CE2-CG1 4.35Å; Y53-V66 HydrophobicContact CE2-CG2 4.14Å; Y53-V66 PolarHBondContact N-O 3.48Å; Y53-V66 PolarHBondContact O-N 2.98Å; Y53-V66 VanDerWaalsContact OH-CG1 3.31Å; Y53-V66 WeakPolarHBondContact OH-CG1 3.48Å; I55-V66 HydrophobicContact CG1-CG2 4.43Å; I55-V66 HydrophobicContact CG2-CG2 3.73Å; V66-H128 HydrophobicContact CG1-CB 3.89Å; V66-I129 CarbonylContact C-O 3.53Å; V66-I129 VanDerWaalsContact CA-O 3.28Å; V66-I129 WeakPolarHBondContact CA-O 3.38Å; V66-L130 HydrophobicContact CG2-CB 4.12Å; V66-L130 HydrophobicContact CG2-CD1 4.16Å; V66-W207 HydrophobicContact CG1-CZ2 4.24Å; V66-W207 HydrophobicContact CG2-CZ2 4.42Å |
| 67 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.9 | 168.1 | -172.6 | 64.5 | 0 | 0 | 0 | 108.7 | L39 V42 H43 I52 F69 I129 | L39-L67 HydrophobicContact CD2-CB 4.25Å; L39-L67 HydrophobicContact CD2-CD2 4.08Å; V42-L67 HydrophobicContact CB-CD2 4.11Å; V42-L67 HydrophobicContact CG1-CD2 3.73Å; H43-L67 HydrophobicContact CB-CD1 4.38Å; I52-L67 HydrophobicContact CB-CD1 4.13Å; L67-F69 HydrophobicContact CD2-CE2 3.55Å; L67-F69 HydrophobicContact CD2-CZ 3.75Å; L67-F69 HydrophobicContact CG-CD2 4.37Å; L67-F69 HydrophobicContact CG-CE2 3.74Å; L67-F69 HydrophobicContact CG-CZ 4.28Å; L67-I129 PolarHBondContact N-O 3.08Å; L67-I129 PolarHBondContact O-N 3.22Å |
| 68 | E | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.4 | 176.1 | -173.2 | 178.9 | 151.7 | 0 | 0 | 109.7 | T50 R51 Y53 G74 R126 I127 H128 | T50-E68 CarbonylContact C-O 3.25Å; T50-E68 WeakPolarHBondContact CA-O 3.43Å; T50-E68 WeakPolarHBondContact CB-O 3.36Å; R51-E68 HydrophobicContact CB-CB 4.16Å; R51-E68 IonicContact CZ-OE2 3.72Å; R51-E68 PolarHBondContact N-O 2.89Å; R51-E68 IonicContact NE-OE2 2.78Å; R51-E68 PolarHBondContact NE-OE2 3.03Å; R51-E68 IonicContact NH2-OE2 2.83Å; R51-E68 PolarHBondContact NH2-OE2 3.45Å; R51-E68 VanDerWaalsContact O-CB 3.27Å; R51-E68 WeakPolarHBondContact O-CB 3.26Å; R51-E68 PolarHBondContact O-N 3.04Å; Y53-E68 HydrophobicContact CE1-CB 4.13Å; E68-G74 PolarHBondContact OE1-N 3Å; E68-R126 HydrophobicContact CG-CG 4.39Å; E68-R126 IonicContact OE1-CZ 3.23Å; E68-R126 IonicContact OE1-NE 2.7Å; E68-R126 PolarHBondContact OE1-NE 3.27Å; E68-R126 IonicContact OE1-NH2 3.22Å; E68-R126 PolarHBondContact OE1-NH2 3.07Å; E68-R126 IonicContact OE2-NH2 3.8Å; E68-I127 CarbonylContact C-O 3.57Å; E68-I127 VanDerWaalsContact CA-O 3.25Å; E68-I127 WeakPolarHBondContact CA-O 3.29Å; E68-H128 IonicContact OE2-CE1 3.54Å |
| 69 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.5 | 166.1 | -68.3 | -102.5 | 0 | 0 | 0 | 109.7 | V42 I49 T50 L67 S104 L107 C108 I122 I127 I129 | V42-F69 HydrophobicContact CG1-CE1 4.37Å; V42-F69 HydrophobicContact CG1-CZ 3.84Å; I49-F69 HydrophobicContact CD1-CD1 4.38Å; I49-F69 VanDerWaalsContact O-CA 3.27Å; I49-F69 WeakPolarHBondContact O-CA 3.08Å; T50-F69 HydrophobicContact CG2-CD1 3.51Å; T50-F69 HydrophobicContact CG2-CE1 3.38Å; T50-F69 HydrophobicContact CG2-CE2 4.42Å; T50-F69 HydrophobicContact CG2-CG 4.1Å; T50-F69 HydrophobicContact CG2-CZ 3.86Å; L67-F69 HydrophobicContact CD2-CE2 3.55Å; L67-F69 HydrophobicContact CD2-CZ 3.75Å; L67-F69 HydrophobicContact CG-CD2 4.37Å; L67-F69 HydrophobicContact CG-CE2 3.74Å; L67-F69 HydrophobicContact CG-CZ 4.28Å; F69-S104 VanDerWaalsContact CZ-O 3.32Å; F69-S104 WeakPolarHBondContact CZ-O 3.13Å; F69-L107 HydrophobicContact CD1-CB 4.12Å; F69-L107 HydrophobicContact CD2-CD1 4.1Å; F69-L107 HydrophobicContact CE1-CB 3.79Å; F69-L107 HydrophobicContact CE2-CD1 4.19Å; F69-L107 HydrophobicContact CG-CD1 4.27Å; F69-L107 HydrophobicContact CZ-CB 4.08Å; F69-L107 HydrophobicContact CZ-CD1 4.44Å; F69-C108 HydrophobicContact CE1-CB 4.32Å; F69-I122 HydrophobicContact CB-CG1 4.43Å; F69-I122 HydrophobicContact CD1-CD1 4.15Å; F69-I127 HydrophobicContact CB-CB 4.21Å; F69-I127 PolarHBondContact N-O 3.05Å; F69-I127 PolarHBondContact O-N 2.87Å; F69-I129 HydrophobicContact CD2-CD1 4.3Å; F69-I129 HydrophobicContact CE2-CD1 4.14Å |
| 70 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -169 | 157.4 | 172.5 | 163.3 | 0 | 0 | 0 | 0 | 106.5 | I49 N72 E80 I122 | I49-S70 CarbonylContact C-O 3.55Å; I49-S70 VanDerWaalsContact C-O 3.29Å; I49-S70 WeakPolarHBondContact CA-O 3.45Å; I49-S70 PolarHBondContact O-N 3.3Å; S70-N72 PolarHBondContact O-N 2.91Å; S70-N72 PolarHBondContact OG-N 3.3Å; S70-E80 PolarHBondContact OG-OE1 3.2Å; S70-I122 WeakPolarHBondContact CA-O 3.29Å | ||
| 71 | D | 98.2 | Very high | 98.5 | Very high | 67 Ų | 67 | 30.8 Ų | 30.8 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -71 | -9.6 | 169.1 | 64 | -38.4 | 0 | 0 | 0 | 114.1 | I122 | D71-I122 PolarHBondContact N-O 3.15Š|
| 72 | N | 98.3 | Very high | 98.5 | Very high | 56 Ų | 56 | 29.5 Ų | 29.5 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -133.3 | 63.5 | 174.9 | -164.7 | 12.8 | 0 | 0 | 0 | 112.3 | S70 G74 I75 E77 | S70-N72 PolarHBondContact O-N 2.91Å; S70-N72 PolarHBondContact OG-N 3.3Å; N72-G74 PolarHBondContact O-N 2.79Å; N72-I75 PolarHBondContact O-N 2.95Å; N72-E77 WeakPolarHBondContact CB-OE2 3.07Å; N72-E77 PolarHBondContact ND2-OE2 3.46Å |
| 73 | P | 98.4 | Very high | 98.5 | Very high | 36 Ų | 36 | 27.5 Ų | 27.5 | 23% | 0.234 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 134.2 | -168.7 | 30.3 | -37 | 0 | 0 | 0 | 111.7 | Y48 R51 | Y48-P73 WeakPolarHBondContact O-CD 3.19Å; R51-P73 HydrophobicContact CB-CB 3.92Å |
| 74 | G | 98.1 | Very high | 98.5 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 32% | 0.32 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -12.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E68 N72 R126 | E68-G74 PolarHBondContact OE1-N 3Å; N72-G74 PolarHBondContact O-N 2.79Å; G74-R126 PolarHBondContact O-NH2 3.47Å |
| 75 | I | 97.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 25.2 Ų | 25.2 | 48% | 0.482 | 14% | 0.144 | S | C | . | . | trans | -120.5 | 140.1 | -177.3 | -58.3 | 177.6 | 0 | 0 | 0 | 109.4 | N72 R126 | N72-I75 PolarHBondContact O-N 2.95Å; I75-R126 VanDerWaalsContact C-CZ 3.48Å; I75-R126 WeakPolarHBondContact O-CD 3.19Å; I75-R126 PolarHBondContact O-NE 2.94Å; I75-R126 PolarHBondContact O-NH1 3.35Å | ||
| 76 | H | 97.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 23.6 Ų | 23.6 | 18% | 0.181 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 130.7 | 169.1 | 171.6 | 69.3 | 0 | 0 | 0 | 108.5 | E80 E82 D375 D377 | H76-E80 PolarHBondContact CE1-O 2.82Å; H76-E80 VanDerWaalsContact CE1-O 3.3Å; H76-E82 IonicContact CG-OE1 3.71Å; H76-E82 IonicContact ND1-OE1 3.65Å; H76-E82 PolarHBondContact ND1-OE1 3.26Å; H76-E82 VanDerWaalsContact ND1-OE1 3.13Å; H76-D375 IonicContact CD2-OD2 2.82Å; H76-D375 PolarHBondContact CD2-OD2 3.21Å; H76-D377 IonicContact CE1-OD2 3.96Å; H76-D377 IonicContact NE2-OD1 3.99Å; H76-D377 IonicContact NE2-OD2 2.89Å; H76-D377 PolarHBondContact NE2-OD2 3.09Å |
| 77 | E | 98.1 | Very high | 98.5 | Very high | 74 Ų | 74 | 23.6 Ų | 23.6 | 35% | 0.346 | 14% | 0.138 | S | C | . | . | P | Polyproline II helix | trans | -102.9 | 134.3 | 173.5 | -63 | -170.8 | 64.9 | 0 | 0 | 111 | N72 L79 E80 | N72-E77 WeakPolarHBondContact CB-OE2 3.07Å; N72-E77 PolarHBondContact ND2-OE2 3.46Å; E77-L79 PolarHBondContact O-N 3.22Å; E77-E80 HydrophobicContact CB-CB 3.96Å; E77-E80 WeakPolarHBondContact O-CB 3.47Å; E77-E80 PolarHBondContact O-N 3.01Å |
| 78 | A | 96.9 | Very high | 98.5 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 46% | 0.455 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 131.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E80 M347 | A78-E80 PolarHBondContact O-N 3.42Å; A78-M347 HydrophobicContact CB-CE 4.08Å; A78-M347 HydrophobicContact CB-SD 4.08Å |
| 79 | L | 98 | Very high | 98.5 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 14% | 0.141 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 7.1 | -175.4 | -47 | 172.1 | 0 | 0 | 0 | 115.3 | E77 K345 G346 M347 D377 | E77-L79 PolarHBondContact O-N 3.22Å; L79-K345 HydrophobicContact CB-CD 4.33Å; L79-K345 PolarHBondContact O-NZ 2.86Å; L79-G346 VanDerWaalsContact CD2-C 3.46Å; L79-G346 WeakPolarHBondContact CD2-O 3.45Å; L79-M347 HydrophobicContact CD1-CG 4.46Å; L79-M347 HydrophobicContact CD2-CG 4Å; L79-M347 HydrophobicContact CD2-SD 3.69Å; L79-M347 HydrophobicContact CG-CG 4.35Å; L79-M347 HydrophobicContact CG-SD 3.92Å; L79-D377 HydrophobicContact CD2-CB 4.3Å |
| 80 | E | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | trans | -90.4 | 112.5 | 165.9 | -169.9 | -165.2 | -154.1 | 0 | 0 | 108.9 | S70 H76 E77 A78 R126 F379 | S70-E80 PolarHBondContact OG-OE1 3.2Å; H76-E80 PolarHBondContact CE1-O 2.82Å; H76-E80 VanDerWaalsContact CE1-O 3.3Å; E77-E80 HydrophobicContact CB-CB 3.96Å; E77-E80 WeakPolarHBondContact O-CB 3.47Å; E77-E80 PolarHBondContact O-N 3.01Å; A78-E80 PolarHBondContact O-N 3.42Å; E80-R126 HydrophobicContact CG-CB 4.49Å; E80-F379 VanDerWaalsContact C-CZ 3.48Å; E80-F379 WeakPolarHBondContact O-CZ 3.38Å | ||
| 81 | P | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | trans | -70.5 | 142.1 | -179.3 | 28.1 | -34.3 | 0 | 0 | 0 | 112.4 | D124 T125 R126 V214 V340 F379 | P81-D124 WeakPolarHBondContact CD-O 3.31Å; P81-T125 HydrophobicContact CG-CG2 4.46Å; P81-T125 WeakPolarHBondContact O-CG2 3.31Å; P81-R126 PolarHBondContact O-N 2.91Å; P81-V214 HydrophobicContact CB-CB 4.44Å; P81-V214 HydrophobicContact CB-CG2 3.96Å; P81-V340 HydrophobicContact CB-CG1 4.4Å; P81-V340 HydrophobicContact CB-CG2 3.62Å; P81-V340 HydrophobicContact CG-CG1 3.93Å; P81-V340 HydrophobicContact CG-CG2 4.09Å; P81-F379 HydrophobicContact CB-CD1 3.86Å; P81-F379 HydrophobicContact CB-CE1 3.72Å; P81-F379 HydrophobicContact CB-CG 4.43Å; P81-F379 HydrophobicContact CB-CZ 4.19Å; P81-F379 HydrophobicContact CG-CE1 4.29Å | ||
| 82 | E | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.5 | 171.6 | -58.4 | -78.5 | -173.2 | 0 | 0 | 109.5 | H76 R126 H128 F213 V214 | H76-E82 IonicContact CG-OE1 3.71Å; H76-E82 IonicContact ND1-OE1 3.65Å; H76-E82 PolarHBondContact ND1-OE1 3.26Å; H76-E82 VanDerWaalsContact ND1-OE1 3.13Å; E82-R126 WeakPolarHBondContact CA-O 3.4Å; E82-R126 WeakPolarHBondContact OE1-CD 3.3Å; E82-R126 IonicContact OE1-CZ 3.45Å; E82-R126 IonicContact OE1-NE 3.6Å; E82-R126 IonicContact OE1-NH1 3.65Å; E82-R126 PolarHBondContact OE1-NH1 3.04Å; E82-R126 VanDerWaalsContact OE2-CB 3.32Å; E82-R126 WeakPolarHBondContact OE2-CB 3.5Å; E82-R126 VanDerWaalsContact OE2-CD 3.29Å; E82-R126 WeakPolarHBondContact OE2-CD 3.22Å; E82-R126 VanDerWaalsContact OE2-CG 3.24Å; E82-R126 WeakPolarHBondContact OE2-CG 3.19Å; E82-R126 IonicContact OE2-NE 3.9Å; E82-R126 IonicContact OE2-NH1 2.81Å; E82-H128 IonicContact OE2-CD2 3.32Å; E82-H128 IonicContact OE2-NE2 3.91Å; E82-H128 PolarHBondContact OE2-NE2 3.31Å; E82-F213 HydrophobicContact CB-CD1 3.9Å; E82-F213 HydrophobicContact CB-CE1 4.29Å; E82-F213 WeakPolarHBondContact O-CA 3.45Å; E82-V214 PolarHBondContact O-N 2.96Å |
| 83 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.2 | 177.5 | 176.5 | -83.9 | 0 | 0 | 0 | 110.8 | Y85 T125 R126 I127 H128 L215 Y336 L337 V340 | F83-Y85 HydrophobicContact CE1-CD1 4.21Å; F83-Y85 AromaticContact CE1-CD2 3.43Å; F83-Y85 HydrophobicContact CE1-CD2 3.43Å; F83-Y85 VanDerWaalsContact CE1-CD2 3.43Å; F83-Y85 HydrophobicContact CE1-CE1 4.35Å; F83-Y85 AromaticContact CE1-CE2 3.58Å; F83-Y85 HydrophobicContact CE1-CE2 3.58Å; F83-Y85 AromaticContact CE1-CG 3.75Å; F83-Y85 HydrophobicContact CE1-CG 3.75Å; F83-Y85 HydrophobicContact CZ-CD1 4.06Å; F83-Y85 AromaticContact CZ-CD2 3.89Å; F83-Y85 HydrophobicContact CZ-CD2 3.89Å; F83-Y85 AromaticContact CZ-CE1 3.85Å; F83-Y85 HydrophobicContact CZ-CE1 3.85Å; F83-Y85 AromaticContact CZ-CE2 3.63Å; F83-Y85 HydrophobicContact CZ-CE2 3.63Å; F83-Y85 HydrophobicContact CZ-CG 4.07Å; F83-Y85 AromaticContact CZ-CZ 3.61Å; F83-T125 HydrophobicContact CB-CG2 3.86Å; F83-R126 PolarHBondContact N-O 3.33Å; F83-I127 HydrophobicContact CD1-CG2 4.14Å; F83-H128 PolarHBondContact O-N 2.9Å; F83-L215 HydrophobicContact CD2-CB 3.92Å; F83-L215 HydrophobicContact CD2-CD2 4.15Å; F83-L215 HydrophobicContact CD2-CG 4.11Å; F83-L215 WeakPolarHBondContact CD2-O 3.46Å; F83-L215 HydrophobicContact CE2-CB 4.22Å; F83-L215 HydrophobicContact CE2-CD2 3.93Å; F83-L215 HydrophobicContact CE2-CG 3.9Å; F83-Y336 AromaticContact CE2-CD1 3.91Å; F83-Y336 HydrophobicContact CE2-CD1 3.91Å; F83-Y336 AromaticContact CE2-CE1 3.78Å; F83-Y336 HydrophobicContact CE2-CE1 3.78Å; F83-Y336 AromaticContact CZ-CD1 3.94Å; F83-Y336 HydrophobicContact CZ-CD1 3.94Å; F83-Y336 AromaticContact CZ-CE1 4Å; F83-Y336 HydrophobicContact CZ-CE1 4Å; F83-L337 HydrophobicContact CD1-CD1 3.98Å; F83-L337 HydrophobicContact CD1-CG 3.73Å; F83-L337 HydrophobicContact CD2-CG 4.1Å; F83-L337 HydrophobicContact CE1-CB 4.35Å; F83-L337 HydrophobicContact CE1-CD1 3.98Å; F83-L337 HydrophobicContact CE1-CG 3.8Å; F83-L337 HydrophobicContact CE2-CB 4.27Å; F83-L337 HydrophobicContact CE2-CG 4.16Å; F83-L337 HydrophobicContact CG-CD2 4.44Å; F83-L337 HydrophobicContact CG-CG 3.9Å; F83-L337 HydrophobicContact CZ-CB 4.14Å; F83-L337 HydrophobicContact CZ-CG 4.03Å; F83-V340 HydrophobicContact CD2-CB 4.33Å |
| 84 | K | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 146.6 | 170 | 62.2 | 175.6 | 171.6 | 70.1 | 0 | 116.7 | H128 W207 F213 L215 S216 A217 N298 E306 | K84-H128 CarbonylContact C-O 3.58Å; K84-H128 WeakPolarHBondContact CA-O 3.41Å; K84-H128 HydrophobicContact CB-CB 4.18Å; K84-W207 HydrophobicContact CB-CH2 3.64Å; K84-W207 HydrophobicContact CB-CZ2 4.03Å; K84-W207 HydrophobicContact CD-CE3 4.3Å; K84-W207 HydrophobicContact CD-CH2 3.45Å; K84-W207 VanDerWaalsContact CD-CH2 3.45Å; K84-W207 HydrophobicContact CD-CZ2 4.03Å; K84-W207 HydrophobicContact CD-CZ3 3.59Å; K84-W207 HydrophobicContact CG-CH2 4.15Å; K84-F213 HydrophobicContact CB-CD1 3.87Å; K84-F213 HydrophobicContact CB-CE1 3.67Å; K84-F213 HydrophobicContact CB-CZ 4.17Å; K84-F213 HydrophobicContact CD-CD1 3.92Å; K84-F213 HydrophobicContact CD-CD2 3.63Å; K84-F213 HydrophobicContact CD-CE1 4.01Å; K84-F213 HydrophobicContact CD-CE2 3.69Å; K84-F213 HydrophobicContact CD-CG 3.75Å; K84-F213 HydrophobicContact CD-CZ 3.91Å; K84-F213 HydrophobicContact CG-CD1 3.75Å; K84-F213 HydrophobicContact CG-CD2 4.36Å; K84-F213 HydrophobicContact CG-CE1 3.99Å; K84-F213 HydrophobicContact CG-CG 3.97Å; K84-F213 HydrophobicContact CG-CZ 4.39Å; K84-L215 PolarHBondContact N-O 2.85Å; K84-L215 VanDerWaalsContact N-O 3.14Å; K84-S216 WeakPolarHBondContact CG-OG 3.49Å; K84-S216 VanDerWaalsContact NZ-CB 3.29Å; K84-S216 PolarHBondContact NZ-OG 3.21Å; K84-S216 WeakPolarHBondContact O-CA 3.43Å; K84-S216 PolarHBondContact O-OG 3Å; K84-A217 PolarHBondContact O-N 2.79Å; K84-N298 WeakPolarHBondContact CE-OD1 3.47Å; K84-N298 PolarHBondContact NZ-OD1 2.81Å; K84-E306 IonicContact NZ-OE2 3.66Å; K84-E306 PolarHBondContact NZ-OE2 2.84Å |
| 85 | Y | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 139.6 | 162.5 | -85.9 | -51.9 | 0 | 0 | 0 | 111.1 | F83 L100 L103 H128 L130 A217 L219 L309 L333 Y336 | F83-Y85 HydrophobicContact CE1-CD1 4.21Å; F83-Y85 AromaticContact CE1-CD2 3.43Å; F83-Y85 HydrophobicContact CE1-CD2 3.43Å; F83-Y85 VanDerWaalsContact CE1-CD2 3.43Å; F83-Y85 HydrophobicContact CE1-CE1 4.35Å; F83-Y85 AromaticContact CE1-CE2 3.58Å; F83-Y85 HydrophobicContact CE1-CE2 3.58Å; F83-Y85 AromaticContact CE1-CG 3.75Å; F83-Y85 HydrophobicContact CE1-CG 3.75Å; F83-Y85 HydrophobicContact CZ-CD1 4.06Å; F83-Y85 AromaticContact CZ-CD2 3.89Å; F83-Y85 HydrophobicContact CZ-CD2 3.89Å; F83-Y85 AromaticContact CZ-CE1 3.85Å; F83-Y85 HydrophobicContact CZ-CE1 3.85Å; F83-Y85 AromaticContact CZ-CE2 3.63Å; F83-Y85 HydrophobicContact CZ-CE2 3.63Å; F83-Y85 HydrophobicContact CZ-CG 4.07Å; F83-Y85 AromaticContact CZ-CZ 3.61Å; Y85-L100 HydrophobicContact CD2-CD2 3.96Å; Y85-L100 HydrophobicContact CG-CD2 3.82Å; Y85-L103 HydrophobicContact CD2-CD2 3.85Å; Y85-L103 HydrophobicContact CE2-CD2 4Å; Y85-H128 PolarHBondContact N-O 2.71Å; Y85-L130 PolarHBondContact O-N 3.01Å; Y85-A217 WeakPolarHBondContact CA-O 3.39Å; Y85-A217 HydrophobicContact CD1-CB 3.77Å; Y85-A217 HydrophobicContact CE1-CB 3.5Å; Y85-L219 HydrophobicContact CD1-CD1 3.59Å; Y85-L219 HydrophobicContact CE1-CD1 4.17Å; Y85-L219 HydrophobicContact CG-CD1 4.34Å; Y85-L309 HydrophobicContact CE1-CD1 4.44Å; Y85-L333 HydrophobicContact CE1-CD2 4.11Å; Y85-L333 HydrophobicContact CE2-CB 4.46Å; Y85-L333 HydrophobicContact CE2-CD2 3.9Å; Y85-L333 WeakPolarHBondContact OH-CA 3.5Å; Y85-L333 PolarHBondContact OH-O 3.47Å; Y85-Y336 HydrophobicContact CE1-CD1 4.01Å; Y85-Y336 HydrophobicContact CE1-CE1 4.35Å; Y85-Y336 AromaticContact CZ-CD1 3.9Å; Y85-Y336 VanDerWaalsContact OH-CD1 3.25Å; Y85-Y336 WeakPolarHBondContact OH-CD1 3.3Å |
| 86 | V | 99 | Very high | 98.5 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119.7 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | L130 M133 W207 A217 N218 L219 M294 | V86-L130 WeakPolarHBondContact CA-O 3.26Å; V86-L130 HydrophobicContact CG1-CD2 3.94Å; V86-L130 HydrophobicContact CG1-CG 4.29Å; V86-L130 HydrophobicContact CG2-CB 4.4Å; V86-L130 HydrophobicContact CG2-CD2 4.38Å; V86-M133 HydrophobicContact CG1-CB 3.96Å; V86-M133 HydrophobicContact CG1-SD 4.34Å; V86-W207 HydrophobicContact CG2-CH2 4.32Å; V86-W207 HydrophobicContact CG2-CZ3 3.86Å; V86-A217 PolarHBondContact N-O 3.3Å; V86-N218 HydrophobicContact CB-CB 4.38Å; V86-N218 CarbonylContact O-C 3.25Å; V86-N218 VanDerWaalsContact O-CA 3.22Å; V86-N218 WeakPolarHBondContact O-CA 3.49Å; V86-L219 PolarHBondContact O-N 2.82Å; V86-M294 HydrophobicContact CB-CE 4.11Å; V86-M294 HydrophobicContact CG1-CE 3.96Å; V86-M294 HydrophobicContact CG2-CE 4.47Å |
| 87 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 158.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M89 L130 P131 S132 M133 | G87-M89 VanDerWaalsContact C-N 3.32Å; G87-M89 PolarHBondContact O-N 3.32Å; G87-L130 PolarHBondContact N-O 3.03Å; G87-P131 CarbonylContact C-O 3.35Å; G87-P131 WeakPolarHBondContact CA-O 3.29Å; G87-S132 WeakPolarHBondContact O-CA 3.42Å; G87-M133 PolarHBondContact O-N 3.38Å |
| 88 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | trans | 55.9 | 45.5 | 158.2 | -175.1 | -121.1 | 0 | 0 | 0 | 113 | H90 G91 E93 R97 S132 N134 | N88-H90 VanDerWaalsContact C-N 3.29Å; N88-H90 PolarHBondContact ND2-O 3.47Å; N88-G91 VanDerWaalsContact ND2-C 3.33Å; N88-G91 WeakPolarHBondContact ND2-CA 3.18Å; N88-G91 PolarHBondContact ND2-O 2.76Å; N88-E93 PolarHBondContact ND2-O 2.88Å; N88-R97 HydrophobicContact CB-CB 3.8Å; N88-S132 PolarHBondContact OD1-OG 3.42Å; N88-N134 WeakPolarHBondContact O-CB 3.5Å; N88-N134 PolarHBondContact O-N 3.21Å | ||
| 89 | M | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 3.1 Ų | 3.1 | 1% | 0.01 | 2% | 0.016 | C | C | . | . | S | Bend | trans | -72.2 | -27.2 | 168.5 | 76.1 | 177.2 | -50 | 0 | 0 | 111.9 | G87 M133 N134 L163 N164 F167 H220 M294 | G87-M89 VanDerWaalsContact C-N 3.32Å; G87-M89 PolarHBondContact O-N 3.32Å; M89-M133 HydrophobicContact CB-CB 4.04Å; M89-M133 HydrophobicContact CB-CG 4.24Å; M89-M133 HydrophobicContact CB-SD 3.66Å; M89-M133 HydrophobicContact CE-CE 4.44Å; M89-M133 HydrophobicContact CE-SD 4.04Å; M89-N134 WeakPolarHBondContact O-CB 3.39Å; M89-N134 PolarHBondContact O-ND2 3.2Å; M89-L163 HydrophobicContact CE-CB 4.22Å; M89-N164 HydrophobicContact CE-CB 3.51Å; M89-N164 HydrophobicContact SD-CB 3.78Å; M89-F167 HydrophobicContact CE-CE2 4.3Å; M89-H220 VanDerWaalsContact CG-CE1 3.42Å; M89-H220 WeakPolarHBondContact CG-CE1 3.19Å; M89-H220 PolarHBondContact SD-CE1 2.93Å; M89-H220 PolarHBondContact SD-NE2 3.18Å; M89-M294 HydrophobicContact CE-CB 4.1Å; M89-M294 HydrophobicContact CE-CE 4.32Å; M89-M294 HydrophobicContact CE-SD 4.45Å; M89-M294 HydrophobicContact SD-CE 4.11Å |
| 90 | H | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 1.9 Ų | 1.9 | 1% | 0.009 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -96 | 121.9 | 156.9 | -57.9 | 129.8 | 0 | 0 | 0 | 108.5 | N88 N92 E93 R155 D162 H220 | N88-H90 VanDerWaalsContact C-N 3.29Å; N88-H90 PolarHBondContact ND2-O 3.47Å; H90-N92 PolarHBondContact O-N 3.27Å; H90-E93 HydrophobicContact CB-CB 4.12Å; H90-E93 HydrophobicContact CB-CG 3.93Å; H90-E93 IonicContact CE1-OE2 3.03Å; H90-E93 IonicContact CG-OE1 2.69Å; H90-E93 IonicContact CG-OE2 3.78Å; H90-E93 IonicContact ND1-OE1 2.81Å; H90-E93 PolarHBondContact ND1-OE1 3.17Å; H90-E93 VanDerWaalsContact ND1-OE1 3.08Å; H90-E93 IonicContact ND1-OE2 3.89Å; H90-E93 PolarHBondContact ND1-OE2 2.91Å; H90-E93 PolarHBondContact O-N 3.02Å; H90-R155 VanDerWaalsContact CA-O 3.3Å; H90-R155 WeakPolarHBondContact CA-O 3.46Å; H90-R155 HydrophobicContact CB-CG 3.95Å; H90-R155 PolarHBondContact CE1-NH1 2.97Å; H90-R155 VanDerWaalsContact CE1-NH1 3.33Å; H90-R155 PolarHBondContact CE1-NH2 3.18Å; H90-R155 PolarHBondContact ND1-NH1 3.44Å; H90-R155 VanDerWaalsContact ND1-NH1 3.16Å; H90-R155 VanDerWaalsContact NE2-CZ 3.32Å; H90-R155 PolarHBondContact NE2-NH2 3.27Å; H90-D162 IonicContact CD2-OD1 2.81Å; H90-D162 IonicContact NE2-OD1 3.66Å; H90-D162 PolarHBondContact NE2-OD1 3.14Å; H90-D162 IonicContact NE2-OD2 2.99Å; H90-H220 AromaticContact CE1-CE1 3.31Å; H90-H220 PolarHBondContact CE1-CE1 3.31Å; H90-H220 AromaticContact CE1-ND1 3.58Å; H90-H220 AromaticContact ND1-CE1 3.33Å; H90-H220 PolarHBondContact ND1-CE1 3.19Å; H90-H220 VanDerWaalsContact ND1-CE1 3.33Å; H90-H220 AromaticContact ND1-ND1 3.27Å; H90-H220 PolarHBondContact ND1-ND1 2.92Å |
| 91 | G | 98.5 | Very high | 98.8 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.007 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | N88 N134 Y138 G154 R155 | N88-G91 VanDerWaalsContact ND2-C 3.33Å; N88-G91 WeakPolarHBondContact ND2-CA 3.18Å; N88-G91 PolarHBondContact ND2-O 2.76Å; G91-N134 PolarHBondContact N-ND2 2.78Å; G91-Y138 WeakPolarHBondContact O-CA 3.19Å; G91-G154 CarbonylContact C-O 3.59Å; G91-G154 WeakPolarHBondContact CA-O 3.44Å; G91-G154 PolarHBondContact N-O 2.99Å; G91-R155 PolarHBondContact N-O 2.95Å |
| 92 | N | 98.3 | Very high | 98.8 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.01 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.5 | 177.3 | 72.8 | -31.3 | 0 | 0 | 0 | 115.3 | H90 V94 A141 Y151 V153 G154 R155 K315 | H90-N92 PolarHBondContact O-N 3.27Å; N92-V94 PolarHBondContact O-N 2.99Å; N92-A141 HydrophobicContact CB-CB 3.84Å; N92-Y151 PolarHBondContact ND2-O 3.32Å; N92-V153 WeakPolarHBondContact CB-O 3.38Å; N92-G154 PolarHBondContact N-O 2.92Å; N92-R155 WeakPolarHBondContact OD1-CA 3.44Å; N92-R155 WeakPolarHBondContact OD1-CB 3.24Å; N92-K315 CarbonylContact O-C 3.58Å; N92-K315 VanDerWaalsContact O-CB 3.29Å; N92-K315 WeakPolarHBondContact O-CB 3.28Å |
| 93 | E | 98.4 | Very high | 98.8 | Very high | 3 Ų | 3 | 2 Ų | 2 | 1% | 0.014 | 1% | 0.01 | C | C | . | . | trans | -96.8 | 85.4 | 173.4 | -68.1 | 169.6 | -160.8 | 0 | 0 | 107.4 | N88 H90 R155 H220 G221 K315 | N88-E93 PolarHBondContact ND2-O 2.88Å; H90-E93 HydrophobicContact CB-CB 4.12Å; H90-E93 HydrophobicContact CB-CG 3.93Å; H90-E93 IonicContact CE1-OE2 3.03Å; H90-E93 IonicContact CG-OE1 2.69Å; H90-E93 IonicContact CG-OE2 3.78Å; H90-E93 IonicContact ND1-OE1 2.81Å; H90-E93 PolarHBondContact ND1-OE1 3.17Å; H90-E93 VanDerWaalsContact ND1-OE1 3.08Å; H90-E93 IonicContact ND1-OE2 3.89Å; H90-E93 PolarHBondContact ND1-OE2 2.91Å; H90-E93 PolarHBondContact O-N 3.02Å; E93-R155 IonicContact OE1-NH1 2.72Å; E93-R155 PolarHBondContact OE1-NH1 2.89Å; E93-H220 IonicContact OE2-CE1 3.39Å; E93-H220 IonicContact OE2-CG 3.94Å; E93-H220 IonicContact OE2-ND1 3.16Å; E93-H220 PolarHBondContact OE2-ND1 3.39Å; E93-G221 WeakPolarHBondContact CG-O 3.44Å; E93-G221 PolarHBondContact OE2-N 3.43Å; E93-K315 CarbonylContact C-O 3.3Å; E93-K315 WeakPolarHBondContact CA-O 3.36Å; E93-K315 HydrophobicContact CG-CB 4.12Å; E93-K315 HydrophobicContact CG-CD 3.83Å; E93-K315 HydrophobicContact CG-CG 4.14Å; E93-K315 IonicContact OE1-NZ 3.77Å; E93-K315 PolarHBondContact OE1-NZ 3.42Å | ||
| 94 | V | 98.3 | Very high | 98.8 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.01 | C | C | . | . | trans | -91.2 | -30.3 | -159.6 | 172.8 | 0 | 0 | 0 | 0 | 113.3 | N92 G96 R97 E98 Y138 K315 F316 | N92-V94 PolarHBondContact O-N 2.99Å; V94-G96 VanDerWaalsContact C-N 3.26Å; V94-G96 PolarHBondContact O-N 3.23Å; V94-R97 VanDerWaalsContact O-CB 3.27Å; V94-R97 WeakPolarHBondContact O-CB 3.5Å; V94-R97 PolarHBondContact O-N 2.94Å; V94-E98 HydrophobicContact CG1-CG 3.94Å; V94-E98 PolarHBondContact O-N 3.19Å; V94-Y138 HydrophobicContact CB-CE2 4.46Å; V94-Y138 HydrophobicContact CG1-CE2 3.87Å; V94-Y138 HydrophobicContact CG2-CD2 3.98Å; V94-Y138 HydrophobicContact CG2-CE2 3.84Å; V94-K315 PolarHBondContact N-O 3.49Å; V94-F316 HydrophobicContact CB-CD1 4.39Å; V94-F316 HydrophobicContact CB-CD2 4.03Å; V94-F316 HydrophobicContact CB-CE2 4.25Å; V94-F316 HydrophobicContact CB-CG 4.1Å; V94-F316 HydrophobicContact CG1-CD2 4.17Å; V94-F316 HydrophobicContact CG1-CE2 3.98Å; V94-F316 HydrophobicContact CG1-CZ 4.33Å; V94-F316 HydrophobicContact CG2-CB 4.25Å; V94-F316 HydrophobicContact CG2-CD1 3.39Å; V94-F316 HydrophobicContact CG2-CD2 3.87Å; V94-F316 HydrophobicContact CG2-CE1 3.55Å; V94-F316 HydrophobicContact CG2-CE2 3.99Å; V94-F316 HydrophobicContact CG2-CG 3.58Å; V94-F316 HydrophobicContact CG2-CZ 3.84Å | ||
| 95 | L | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.01 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -56.5 | -41.7 | -173.4 | 179.7 | 57.2 | 0 | 0 | 0 | 112.3 | R97 E98 L99 L311 P317 L322 E325 | L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 3.39Å; L95-E98 PolarHBondContact O-N 3.29Å; L95-L99 HydrophobicContact CD1-CD1 4.02Å; L95-L99 HydrophobicContact CD1-CD2 4.24Å; L95-L99 HydrophobicContact CD1-CG 3.81Å; L95-L99 HydrophobicContact CD2-CD1 4.33Å; L95-L99 HydrophobicContact CG-CD1 3.75Å; L95-L99 HydrophobicContact CG-CG 4.06Å; L95-L99 WeakPolarHBondContact O-CB 3.12Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.09Å; L95-L99 PolarHBondContact O-N 2.88Å; L95-L311 HydrophobicContact CD2-CB 3.8Å; L95-L311 HydrophobicContact CG-CB 4.38Å; L95-P317 HydrophobicContact CB-CG 4.15Å; L95-L322 HydrophobicContact CD1-CD2 3.99Å; L95-E325 HydrophobicContact CD1-CB 3.52Å; L95-E325 HydrophobicContact CD1-CG 3.91Å; L95-E325 HydrophobicContact CD2-CB 3.95Å; L95-E325 HydrophobicContact CD2-CG 3.86Å; L95-E325 HydrophobicContact CG-CB 4.37Å |
| 96 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -58 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V94 L100 | V94-G96 VanDerWaalsContact C-N 3.26Å; V94-G96 PolarHBondContact O-N 3.23Å; G96-L100 WeakPolarHBondContact O-CB 3.06Å; G96-L100 VanDerWaalsContact O-CG 3.25Å; G96-L100 WeakPolarHBondContact O-CG 3.06Å; G96-L100 PolarHBondContact O-N 3.25Å; G96-L100 VanDerWaalsContact O-N 3.13Å |
| 97 | R | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -61.3 | -53 | 175.4 | 178 | -171.8 | 177 | 95.5 | 0.6 | 110.9 | H30 R31 M35 N88 V94 L95 L99 L100 I101 P131 S132 | H30-R97 VanDerWaalsContact O-CZ 3.22Å; H30-R97 PolarHBondContact O-NE 3.3Å; H30-R97 PolarHBondContact O-NH2 2.82Å; R31-R97 PolarHBondContact O-NH2 3.15Å; M35-R97 VanDerWaalsContact CB-NH2 3.28Å; M35-R97 PolarHBondContact SD-NH2 3.09Å; M35-R97 VanDerWaalsContact SD-NH2 3.41Å; N88-R97 HydrophobicContact CB-CB 3.8Å; V94-R97 VanDerWaalsContact O-CB 3.27Å; V94-R97 WeakPolarHBondContact O-CB 3.5Å; V94-R97 PolarHBondContact O-N 2.94Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 3.39Å; R97-L99 PolarHBondContact O-N 2.9Å; R97-L100 PolarHBondContact O-N 2.82Å; R97-I101 HydrophobicContact CG-CD1 4.06Å; R97-I101 WeakPolarHBondContact O-CG1 3.45Å; R97-I101 PolarHBondContact O-N 3.05Å; R97-P131 WeakPolarHBondContact CA-O 3.26Å; R97-S132 PolarHBondContact NH1-OG 3.32Å; R97-S132 VanDerWaalsContact NH1-OG 3.09Å |
| 98 | E | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 5.2 Ų | 5.2 | 5% | 0.047 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -68.9 | -35.9 | -174.6 | -55.4 | -53.9 | 155.3 | 0 | 0 | 111.7 | H30 V94 L95 L100 I101 K102 L322 | H30-E98 IonicContact CE1-OE2 3.18Å; H30-E98 IonicContact CG-OE2 2.76Å; H30-E98 PolarHBondContact N-OE1 3.42Å; H30-E98 PolarHBondContact N-OE2 2.78Å; H30-E98 IonicContact ND1-OE2 3.93Å; H30-E98 PolarHBondContact ND1-OE2 3.3Å; V94-E98 HydrophobicContact CG1-CG 3.94Å; V94-E98 PolarHBondContact O-N 3.19Å; L95-E98 PolarHBondContact O-N 3.29Å; E98-L100 VanDerWaalsContact C-N 3.35Å; E98-L100 PolarHBondContact O-N 3.37Å; E98-I101 PolarHBondContact O-N 2.84Å; E98-K102 PolarHBondContact O-N 3.05Å; E98-L322 HydrophobicContact CB-CD2 4.21Å; E98-L322 HydrophobicContact CG-CD1 4.39Å; E98-L322 HydrophobicContact CG-CD2 4.29Å |
| 99 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 10.5 Ų | 10.5 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 173.5 | -70.9 | 176.3 | 0 | 0 | 0 | 112.3 | L95 R97 K102 L103 L311 W326 N329 L333 | L95-L99 HydrophobicContact CD1-CD1 4.02Å; L95-L99 HydrophobicContact CD1-CD2 4.24Å; L95-L99 HydrophobicContact CD1-CG 3.81Å; L95-L99 HydrophobicContact CD2-CD1 4.33Å; L95-L99 HydrophobicContact CG-CD1 3.75Å; L95-L99 HydrophobicContact CG-CG 4.06Å; L95-L99 WeakPolarHBondContact O-CB 3.12Å; L95-L99 VanDerWaalsContact O-CG 3.28Å; L95-L99 WeakPolarHBondContact O-CG 3.09Å; L95-L99 PolarHBondContact O-N 2.88Å; R97-L99 PolarHBondContact O-N 2.9Å; L99-K102 PolarHBondContact O-N 3.2Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 PolarHBondContact O-N 2.83Å; L99-L311 HydrophobicContact CD1-CD1 3.58Å; L99-W326 HydrophobicContact CD2-CB 4.11Å; L99-W326 HydrophobicContact CD2-CE3 3.91Å; L99-N329 HydrophobicContact CD1-CB 3.93Å; L99-N329 HydrophobicContact CD2-CB 4.17Å; L99-L333 HydrophobicContact CB-CD1 4.4Å |
| 100 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -73.8 | -31.8 | 178.2 | -69.2 | -177.1 | 0 | 0 | 0 | 112.8 | Y85 G96 R97 E98 L103 S104 I129 P131 L219 | Y85-L100 HydrophobicContact CD2-CD2 3.96Å; Y85-L100 HydrophobicContact CG-CD2 3.82Å; G96-L100 WeakPolarHBondContact O-CB 3.06Å; G96-L100 VanDerWaalsContact O-CG 3.25Å; G96-L100 WeakPolarHBondContact O-CG 3.06Å; G96-L100 PolarHBondContact O-N 3.25Å; G96-L100 VanDerWaalsContact O-N 3.13Å; R97-L100 PolarHBondContact O-N 2.82Å; E98-L100 VanDerWaalsContact C-N 3.35Å; E98-L100 PolarHBondContact O-N 3.37Å; L100-L103 HydrophobicContact CD2-CD2 4.11Å; L100-S104 PolarHBondContact O-N 3.02Å; L100-S104 VanDerWaalsContact O-N 3.08Å; L100-S104 PolarHBondContact O-OG 2.99Å; L100-I129 HydrophobicContact CB-CG2 3.69Å; L100-I129 HydrophobicContact CD1-CG2 4.19Å; L100-I129 HydrophobicContact CD2-CG2 4.07Å; L100-I129 HydrophobicContact CG-CG2 4.17Å; L100-P131 HydrophobicContact CB-CB 4.2Å; L100-P131 HydrophobicContact CB-CG 4.43Å; L100-L219 HydrophobicContact CD1-CD1 4.45Å; L100-L219 HydrophobicContact CD1-CD2 4.3Å; L100-L219 HydrophobicContact CD2-CD2 4.03Å; L100-L219 HydrophobicContact CG-CD2 3.97Å |
| 101 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 169.1 | -65.3 | 168 | 0 | 0 | 0 | 109.8 | H30 M35 V38 R97 E98 S104 Q105 P131 | H30-I101 HydrophobicContact CB-CD1 3.81Å; M35-I101 HydrophobicContact CB-CD1 4.03Å; M35-I101 HydrophobicContact CG-CD1 3.74Å; M35-I101 HydrophobicContact CG-CG1 4.15Å; V38-I101 HydrophobicContact CB-CG2 4.24Å; V38-I101 HydrophobicContact CG1-CG2 3.54Å; R97-I101 HydrophobicContact CG-CD1 4.06Å; R97-I101 WeakPolarHBondContact O-CG1 3.45Å; R97-I101 PolarHBondContact O-N 3.05Å; E98-I101 PolarHBondContact O-N 2.84Å; I101-S104 WeakPolarHBondContact O-CB 3.5Å; I101-S104 PolarHBondContact O-N 2.81Å; I101-Q105 PolarHBondContact O-N 3.07Å; I101-P131 HydrophobicContact CG1-CB 4.08Å; I101-P131 HydrophobicContact CG1-CG 4.4Å |
| 102 | K | 98.7 | Very high | 98.7 | Very high | 19 Ų | 19 | 23.2 Ų | 23.2 | 8% | 0.083 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 176.5 | -80.4 | -40.5 | -170.7 | -176.1 | 0 | 113.9 | S25 D26 F27 E98 L99 S104 Q105 F106 W326 | S25-K102 WeakPolarHBondContact OG-CE 3.45Å; S25-K102 PolarHBondContact OG-NZ 3.5Å; S25-K102 VanDerWaalsContact OG-NZ 3.07Å; D26-K102 PolarHBondContact O-NZ 3.34Å; F27-K102 HydrophobicContact CD1-CG 4.27Å; F27-K102 HydrophobicContact CE1-CD 4.36Å; F27-K102 HydrophobicContact CE1-CG 3.82Å; E98-K102 PolarHBondContact O-N 3.05Å; L99-K102 PolarHBondContact O-N 3.2Å; K102-S104 VanDerWaalsContact C-N 3.27Å; K102-S104 PolarHBondContact O-N 2.74Å; K102-Q105 PolarHBondContact O-N 2.82Å; K102-F106 VanDerWaalsContact O-CB 3.31Å; K102-F106 WeakPolarHBondContact O-CB 3.26Å; K102-F106 PolarHBondContact O-N 3.04Å; K102-W326 HydrophobicContact CB-CD2 4.04Å; K102-W326 HydrophobicContact CB-CE3 3.75Å; K102-W326 HydrophobicContact CB-CH2 4.45Å; K102-W326 HydrophobicContact CB-CZ3 3.98Å |
| 103 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.1 | -179.2 | 61.9 | 0 | 0 | 0 | 110.7 | Y85 L99 L100 Q105 F106 L107 I129 W326 L333 I334 | Y85-L103 HydrophobicContact CD2-CD2 3.85Å; Y85-L103 HydrophobicContact CE2-CD2 4Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 PolarHBondContact O-N 2.83Å; L100-L103 HydrophobicContact CD2-CD2 4.11Å; L103-Q105 PolarHBondContact O-N 3.02Å; L103-F106 HydrophobicContact CD1-CD1 4.3Å; L103-F106 PolarHBondContact O-N 3.3Å; L103-L107 HydrophobicContact CD1-CD1 4.36Å; L103-L107 HydrophobicContact CD1-CD2 4.45Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CG-CD1 4.14Å; L103-L107 HydrophobicContact CG-CG 4.32Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 2.8Å; L103-I129 HydrophobicContact CD2-CD1 4Å; L103-I129 HydrophobicContact CG-CD1 4.15Å; L103-W326 HydrophobicContact CB-CH2 4.37Å; L103-W326 HydrophobicContact CB-CZ3 4.16Å; L103-W326 HydrophobicContact CD1-CH2 4.32Å; L103-L333 HydrophobicContact CD2-CB 4.45Å; L103-I334 HydrophobicContact CD1-CD1 3.79Å |
| 104 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | V42 F69 L100 I101 K102 C108 | V42-S104 WeakPolarHBondContact CG1-O 3.22Å; F69-S104 VanDerWaalsContact CZ-O 3.32Å; F69-S104 WeakPolarHBondContact CZ-O 3.13Å; L100-S104 PolarHBondContact O-N 3.02Å; L100-S104 VanDerWaalsContact O-N 3.08Å; L100-S104 PolarHBondContact O-OG 2.99Å; I101-S104 WeakPolarHBondContact O-CB 3.5Å; I101-S104 PolarHBondContact O-N 2.81Å; K102-S104 VanDerWaalsContact C-N 3.27Å; K102-S104 PolarHBondContact O-N 2.74Å; S104-C108 PolarHBondContact O-N 2.79Å |
| 105 | Q | 98.7 | Very high | 98.7 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -48.8 | 175.1 | -66.2 | -178.6 | -54.2 | 0 | 0 | 111.1 | V38 V42 I101 K102 L103 L107 C108 E109 | V38-Q105 HydrophobicContact CG1-CG 4.14Å; V42-Q105 HydrophobicContact CG2-CB 4.42Å; V42-Q105 HydrophobicContact CG2-CG 3.66Å; I101-Q105 PolarHBondContact O-N 3.07Å; K102-Q105 PolarHBondContact O-N 2.82Å; L103-Q105 PolarHBondContact O-N 3.02Å; Q105-L107 PolarHBondContact O-N 3.37Å; Q105-C108 PolarHBondContact O-N 3.48Å; Q105-E109 WeakPolarHBondContact O-CB 3.27Å; Q105-E109 VanDerWaalsContact O-CG 3.26Å; Q105-E109 WeakPolarHBondContact O-CG 3.42Å; Q105-E109 PolarHBondContact O-N 3.44Å |
| 106 | F | 98.8 | Very high | 98.7 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.8 | -45.4 | -179.8 | 174 | -101.4 | 0 | 0 | 0 | 113 | K102 L103 C108 E109 E110 I118 W326 R330 I334 | K102-F106 VanDerWaalsContact O-CB 3.31Å; K102-F106 WeakPolarHBondContact O-CB 3.26Å; K102-F106 PolarHBondContact O-N 3.04Å; L103-F106 HydrophobicContact CD1-CD1 4.3Å; L103-F106 PolarHBondContact O-N 3.3Å; F106-C108 VanDerWaalsContact C-N 3.35Å; F106-C108 PolarHBondContact O-N 3Å; F106-E109 PolarHBondContact O-N 3.4Å; F106-E110 HydrophobicContact CD1-CG 4.41Å; F106-E110 HydrophobicContact CD2-CG 3.66Å; F106-E110 HydrophobicContact CE1-CG 4.11Å; F106-E110 HydrophobicContact CE2-CG 3.29Å; F106-E110 HydrophobicContact CG-CG 4.22Å; F106-E110 HydrophobicContact CZ-CG 3.56Å; F106-E110 VanDerWaalsContact O-CB 3.31Å; F106-E110 WeakPolarHBondContact O-CB 3.46Å; F106-E110 VanDerWaalsContact O-CG 3.32Å; F106-E110 WeakPolarHBondContact O-CG 3.48Å; F106-E110 PolarHBondContact O-N 2.99Å; F106-I118 HydrophobicContact CE1-CD1 3.91Å; F106-I118 HydrophobicContact CE1-CG1 4.31Å; F106-I118 HydrophobicContact CZ-CD1 4.5Å; F106-W326 HydrophobicContact CB-CH2 3.73Å; F106-W326 HydrophobicContact CB-CZ2 3.65Å; F106-W326 HydrophobicContact CD1-CH2 4.2Å; F106-W326 HydrophobicContact CD1-CZ2 4.33Å; F106-W326 AromaticContact CD2-CZ2 3.91Å; F106-W326 HydrophobicContact CD2-CZ2 3.91Å; F106-W326 AromaticContact CG-CH2 3.92Å; F106-W326 HydrophobicContact CG-CH2 3.92Å; F106-W326 AromaticContact CG-CZ2 3.7Å; F106-W326 HydrophobicContact CG-CZ2 3.7Å; F106-R330 HydrophobicContact CE1-CG 4.36Å; F106-R330 HydrophobicContact CE2-CG 4.47Å; F106-R330 HydrophobicContact CZ-CG 4.24Å; F106-I334 HydrophobicContact CD1-CD1 4.36Å; F106-I334 HydrophobicContact CE1-CD1 3.96Å; F106-I334 HydrophobicContact CE1-CG1 4.06Å |
| 107 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 178.4 | -72.2 | 175.2 | 0 | 0 | 0 | 111.4 | F69 L103 Q105 Y111 I118 I122 I129 I334 | F69-L107 HydrophobicContact CD1-CB 4.12Å; F69-L107 HydrophobicContact CD2-CD1 4.1Å; F69-L107 HydrophobicContact CE1-CB 3.79Å; F69-L107 HydrophobicContact CE2-CD1 4.19Å; F69-L107 HydrophobicContact CG-CD1 4.27Å; F69-L107 HydrophobicContact CZ-CB 4.08Å; F69-L107 HydrophobicContact CZ-CD1 4.44Å; L103-L107 HydrophobicContact CD1-CD1 4.36Å; L103-L107 HydrophobicContact CD1-CD2 4.45Å; L103-L107 HydrophobicContact CD1-CG 4.11Å; L103-L107 HydrophobicContact CG-CD1 4.14Å; L103-L107 HydrophobicContact CG-CG 4.32Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 2.8Å; Q105-L107 PolarHBondContact O-N 3.37Å; L107-Y111 WeakPolarHBondContact O-CB 3.46Å; L107-Y111 PolarHBondContact O-N 2.58Å; L107-I118 HydrophobicContact CD2-CD1 4.25Å; L107-I118 HydrophobicContact CD2-CG2 3.85Å; L107-I122 HydrophobicContact CB-CD1 4.36Å; L107-I129 HydrophobicContact CD1-CD1 3.99Å; L107-I334 HydrophobicContact CD2-CD1 4.02Å |
| 108 | C | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -46 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | V42 C46 F69 S104 Q105 F106 Y111 R112 | V42-C108 HydrophobicContact CG1-CB 3.88Å; C46-C108 HydrophobicContact CB-CB 3.88Å; C46-C108 WeakPolarHBondContact CB-SG 3.49Å; C46-C108 WeakPolarHBondContact SG-CA 3.38Å; C46-C108 WeakPolarHBondContact SG-CB 2.9Å; C46-C108 PolarHBondContact SG-O 2.86Å; C46-C108 CovalentContact SG-SG 2.04Å; C46-C108 PolarHBondContact SG-SG 3.39Å; F69-C108 HydrophobicContact CE1-CB 4.32Å; S104-C108 PolarHBondContact O-N 2.79Å; Q105-C108 PolarHBondContact O-N 3.48Å; F106-C108 VanDerWaalsContact C-N 3.35Å; F106-C108 PolarHBondContact O-N 3Å; C108-Y111 PolarHBondContact O-N 2.79Å; C108-R112 WeakPolarHBondContact O-CB 3.45Å; C108-R112 VanDerWaalsContact O-CG 3.29Å; C108-R112 WeakPolarHBondContact O-CG 3.29Å; C108-R112 PolarHBondContact O-N 3.03Å |
| 109 | E | 98.6 | Very high | 98.7 | Very high | 111 Ų | 111 | 41.1 Ų | 41.1 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.3 | -49.8 | -179.7 | -73.6 | 167.9 | -169.8 | 0 | 0 | 111.8 | Q105 F106 R112 A113 | Q105-E109 WeakPolarHBondContact O-CB 3.27Å; Q105-E109 VanDerWaalsContact O-CG 3.26Å; Q105-E109 WeakPolarHBondContact O-CG 3.42Å; Q105-E109 PolarHBondContact O-N 3.44Å; F106-E109 PolarHBondContact O-N 3.4Å; E109-R112 PolarHBondContact O-N 3.46Å; E109-A113 WeakPolarHBondContact O-CB 3.24Å; E109-A113 PolarHBondContact O-N 3.37Å |
| 110 | E | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | 180 | -69.9 | -64.6 | 144.8 | 0 | 0 | 112.2 | F106 A113 G114 N115 I118 | F106-E110 HydrophobicContact CD1-CG 4.41Å; F106-E110 HydrophobicContact CD2-CG 3.66Å; F106-E110 HydrophobicContact CE1-CG 4.11Å; F106-E110 HydrophobicContact CE2-CG 3.29Å; F106-E110 HydrophobicContact CG-CG 4.22Å; F106-E110 HydrophobicContact CZ-CG 3.56Å; F106-E110 VanDerWaalsContact O-CB 3.31Å; F106-E110 WeakPolarHBondContact O-CB 3.46Å; F106-E110 VanDerWaalsContact O-CG 3.32Å; F106-E110 WeakPolarHBondContact O-CG 3.48Å; F106-E110 PolarHBondContact O-N 2.99Å; E110-A113 PolarHBondContact O-N 3.2Å; E110-G114 PolarHBondContact O-N 2.92Å; E110-G114 VanDerWaalsContact O-N 3.16Å; E110-N115 HydrophobicContact CB-CB 3.94Å; E110-N115 VanDerWaalsContact O-CB 3.31Å; E110-N115 WeakPolarHBondContact O-CB 3.32Å; E110-N115 PolarHBondContact O-N 2.81Å; E110-N115 WeakPolarHBondContact OE2-CB 3.47Å; E110-N115 PolarHBondContact OE2-ND2 3.34Å; E110-I118 HydrophobicContact CB-CB 4.01Å; E110-I118 HydrophobicContact CB-CG1 3.7Å; E110-I118 HydrophobicContact CB-CG2 4.11Å; E110-I118 HydrophobicContact CG-CG1 4.27Å |
| 111 | Y | 98.7 | Very high | 98.7 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 172.9 | -175 | -91.6 | 0 | 0 | 0 | 111.3 | I49 L107 C108 A113 G114 T119 I122 H123 | I49-Y111 HydrophobicContact CD1-CD1 3.42Å; I49-Y111 VanDerWaalsContact CD1-CD1 3.42Å; I49-Y111 HydrophobicContact CD1-CD2 3.94Å; I49-Y111 HydrophobicContact CD1-CE1 3.87Å; I49-Y111 HydrophobicContact CD1-CE2 4.34Å; I49-Y111 HydrophobicContact CD1-CG 3.47Å; I49-Y111 VanDerWaalsContact CD1-CG 3.47Å; I49-Y111 HydrophobicContact CG1-CD1 4.27Å; I49-Y111 HydrophobicContact CG1-CE1 4.32Å; I49-Y111 HydrophobicContact CG2-CD1 4.47Å; I49-Y111 HydrophobicContact CG2-CE1 3.74Å; I49-Y111 HydrophobicContact CG2-CE2 4.24Å; L107-Y111 WeakPolarHBondContact O-CB 3.46Å; L107-Y111 PolarHBondContact O-N 2.58Å; C108-Y111 PolarHBondContact O-N 2.79Å; Y111-A113 VanDerWaalsContact C-N 3.26Å; Y111-A113 PolarHBondContact O-N 2.79Å; Y111-G114 PolarHBondContact O-N 3.22Å; Y111-T119 HydrophobicContact CD2-CG2 4.38Å; Y111-T119 HydrophobicContact CE2-CG2 3.9Å; Y111-I122 HydrophobicContact CD2-CB 4.42Å; Y111-I122 HydrophobicContact CD2-CD1 3.89Å; Y111-I122 HydrophobicContact CE2-CG2 4.39Å; Y111-I122 HydrophobicContact CG-CD1 4.31Å; Y111-H123 AromaticContact CE2-CD2 3.91Å; Y111-H123 AromaticContact CE2-NE2 3.48Å; Y111-H123 WeakPolarHBondContact CE2-NE2 3.29Å; Y111-H123 AromaticContact CZ-NE2 3.7Å; Y111-H123 PolarHBondContact OH-NE2 3.13Å |
| 112 | R | 98.6 | Very high | 98.7 | Very high | 159 Ų | 159 | 48.6 Ų | 48.6 | 60% | 0.6 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.5 | -31.1 | 176.8 | -72.4 | 175.2 | 63.3 | -171.9 | 2.3 | 112.6 | D45 C46 C108 E109 G114 | D45-R112 IonicContact OD1-NH1 2.73Å; D45-R112 IonicContact OD2-NH1 2.67Å; C46-R112 VanDerWaalsContact SG-CD 3.57Å; C108-R112 WeakPolarHBondContact O-CB 3.45Å; C108-R112 VanDerWaalsContact O-CG 3.29Å; C108-R112 WeakPolarHBondContact O-CG 3.29Å; C108-R112 PolarHBondContact O-N 3.03Å; E109-R112 PolarHBondContact O-N 3.46Å; R112-G114 PolarHBondContact O-N 3.38Å |
| 113 | A | 98.6 | Very high | 98.7 | Very high | 79 Ų | 79 | 51 Ų | 51 | 65% | 0.653 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | E109 E110 Y111 | E109-A113 WeakPolarHBondContact O-CB 3.24Å; E109-A113 PolarHBondContact O-N 3.37Å; E110-A113 PolarHBondContact O-N 3.2Å; Y111-A113 VanDerWaalsContact C-N 3.26Å; Y111-A113 PolarHBondContact O-N 2.79Å |
| 114 | G | 98.3 | Very high | 98.7 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 23.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E110 Y111 R112 Q116 | E110-G114 PolarHBondContact O-N 2.92Å; E110-G114 VanDerWaalsContact O-N 3.16Å; Y111-G114 PolarHBondContact O-N 3.22Å; R112-G114 PolarHBondContact O-N 3.38Å; G114-Q116 PolarHBondContact O-N 2.7Å; G114-Q116 VanDerWaalsContact O-N 3.11Å; G114-Q116 PolarHBondContact O-NE2 2.99Å |
| 115 | N | 98.7 | Very high | 98.7 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | trans | -63.6 | 111.1 | 176.1 | -175.9 | -39.5 | 0 | 0 | 0 | 110.5 | E110 R117 I118 T119 | E110-N115 HydrophobicContact CB-CB 3.94Å; E110-N115 VanDerWaalsContact O-CB 3.31Å; E110-N115 WeakPolarHBondContact O-CB 3.32Å; E110-N115 PolarHBondContact O-N 2.81Å; E110-N115 WeakPolarHBondContact OE2-CB 3.47Å; E110-N115 PolarHBondContact OE2-ND2 3.34Å; N115-R117 VanDerWaalsContact C-N 3.27Å; N115-R117 PolarHBondContact O-N 3.04Å; N115-R117 WeakPolarHBondContact OD1-CB 3.38Å; N115-R117 PolarHBondContact OD1-N 3.47Å; N115-I118 HydrophobicContact CB-CB 4.41Å; N115-I118 HydrophobicContact CB-CG1 4.41Å; N115-I118 PolarHBondContact O-N 3Å; N115-I118 VanDerWaalsContact O-N 3.14Å; N115-I118 PolarHBondContact OD1-N 3.41Å; N115-T119 PolarHBondContact O-N 3.34Å; N115-T119 PolarHBondContact O-OG1 3.48Å; N115-T119 VanDerWaalsContact O-OG1 3.07Å | ||
| 116 | Q | 98.6 | Very high | 98.7 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 53% | 0.528 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -30 | -173.8 | -65.4 | -60.9 | -62.8 | 0 | 0 | 114.4 | G114 R120 | G114-Q116 PolarHBondContact O-N 2.7Å; G114-Q116 VanDerWaalsContact O-N 3.11Å; G114-Q116 PolarHBondContact O-NE2 2.99Å; Q116-R120 WeakPolarHBondContact O-CB 3.3Å; Q116-R120 VanDerWaalsContact O-CG 3.29Å; Q116-R120 WeakPolarHBondContact O-CG 3.38Å; Q116-R120 PolarHBondContact O-N 2.69Å; Q116-R120 VanDerWaalsContact O-N 3.15Å |
| 117 | R | 98.4 | Very high | 98.7 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -49.4 | 176.4 | -176 | -176 | -177.5 | -175.3 | 4.1 | 109.9 | N115 L121 E331 I334 E338 | N115-R117 VanDerWaalsContact C-N 3.27Å; N115-R117 PolarHBondContact O-N 3.04Å; N115-R117 WeakPolarHBondContact OD1-CB 3.38Å; N115-R117 PolarHBondContact OD1-N 3.47Å; R117-L121 WeakPolarHBondContact O-CB 3.33Å; R117-L121 PolarHBondContact O-N 2.8Å; R117-E331 IonicContact CZ-OE1 3.52Å; R117-E331 VanDerWaalsContact CZ-OE1 3.27Å; R117-E331 IonicContact CZ-OE2 2.77Å; R117-E331 VanDerWaalsContact NH1-CD 3.27Å; R117-E331 IonicContact NH1-OE1 3.43Å; R117-E331 PolarHBondContact NH1-OE1 3.25Å; R117-E331 IonicContact NH1-OE2 2.86Å; R117-E331 PolarHBondContact NH1-OE2 2.79Å; R117-E331 IonicContact NH2-OE1 3.83Å; R117-E331 PolarHBondContact NH2-OE1 3Å; R117-I334 VanDerWaalsContact CZ-CG2 3.47Å; R117-E338 WeakPolarHBondContact CG-OE1 3.4Å; R117-E338 IonicContact CZ-OE1 2.88Å; R117-E338 IonicContact CZ-OE2 2.83Å; R117-E338 IonicContact NE-OE1 3.93Å; R117-E338 PolarHBondContact NE-OE1 3.21Å; R117-E338 IonicContact NE-OE2 3.44Å; R117-E338 IonicContact NH2-OE1 3.27Å; R117-E338 PolarHBondContact NH2-OE1 3.17Å; R117-E338 IonicContact NH2-OE2 2.79Å; R117-E338 PolarHBondContact NH2-OE2 3.19Å |
| 118 | I | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.7 | -38.6 | -178 | -57.5 | -51.9 | 0 | 0 | 0 | 111.7 | F106 L107 E110 N115 L121 I122 I334 | F106-I118 HydrophobicContact CE1-CD1 3.91Å; F106-I118 HydrophobicContact CE1-CG1 4.31Å; F106-I118 HydrophobicContact CZ-CD1 4.5Å; L107-I118 HydrophobicContact CD2-CD1 4.25Å; L107-I118 HydrophobicContact CD2-CG2 3.85Å; E110-I118 HydrophobicContact CB-CB 4.01Å; E110-I118 HydrophobicContact CB-CG1 3.7Å; E110-I118 HydrophobicContact CB-CG2 4.11Å; E110-I118 HydrophobicContact CG-CG1 4.27Å; N115-I118 HydrophobicContact CB-CB 4.41Å; N115-I118 HydrophobicContact CB-CG1 4.41Å; N115-I118 PolarHBondContact O-N 3Å; N115-I118 VanDerWaalsContact O-N 3.14Å; N115-I118 PolarHBondContact OD1-N 3.41Å; I118-L121 PolarHBondContact O-N 2.93Å; I118-I122 HydrophobicContact CG2-CD1 3.83Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 WeakPolarHBondContact O-CG1 3.22Å; I118-I122 PolarHBondContact O-N 3.06Å; I118-I334 HydrophobicContact CD1-CD1 3.94Å; I118-I334 HydrophobicContact CD1-CG1 4.41Å; I118-I334 HydrophobicContact CD1-CG2 4.31Å |
| 119 | T | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 52 Ų | 52 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.9 | -50.4 | 174.6 | -59 | 0 | 0 | 0 | 0 | 111.5 | Y111 N115 L121 I122 H123 | Y111-T119 HydrophobicContact CD2-CG2 4.38Å; Y111-T119 HydrophobicContact CE2-CG2 3.9Å; N115-T119 PolarHBondContact O-N 3.34Å; N115-T119 PolarHBondContact O-OG1 3.48Å; N115-T119 VanDerWaalsContact O-OG1 3.07Å; T119-L121 VanDerWaalsContact C-N 3.34Å; T119-L121 PolarHBondContact O-N 3.05Å; T119-I122 PolarHBondContact O-N 2.78Å; T119-H123 WeakPolarHBondContact O-CB 3.38Å; T119-H123 PolarHBondContact O-CD2 3.24Å; T119-H123 VanDerWaalsContact O-CD2 3.23Å; T119-H123 VanDerWaalsContact O-CG 3.23Å; T119-H123 PolarHBondContact O-N 3.15Å |
| 120 | R | 98.4 | Very high | 98.7 | Very high | 156 Ų | 156 | 46.7 Ų | 46.7 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62 | -43.5 | 176.7 | -70.6 | 176.6 | -164.3 | 169.4 | 4 | 111.8 | Q116 I122 H123 D124 | Q116-R120 WeakPolarHBondContact O-CB 3.3Å; Q116-R120 VanDerWaalsContact O-CG 3.29Å; Q116-R120 WeakPolarHBondContact O-CG 3.38Å; Q116-R120 PolarHBondContact O-N 2.69Å; Q116-R120 VanDerWaalsContact O-N 3.15Å; R120-I122 VanDerWaalsContact C-N 3.26Å; R120-I122 PolarHBondContact O-N 3.11Å; R120-H123 PolarHBondContact O-N 3.1Å; R120-H123 VanDerWaalsContact O-N 3.11Å; R120-D124 VanDerWaalsContact O-CB 3.31Å; R120-D124 WeakPolarHBondContact O-CB 3.31Å; R120-D124 PolarHBondContact O-N 3.48Å |
| 121 | L | 98.6 | Very high | 98.7 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -41.3 | 179.2 | -162.1 | 60.9 | 0 | 0 | 0 | 112.6 | R117 I118 T119 T125 I127 I334 L337 E338 | R117-L121 WeakPolarHBondContact O-CB 3.33Å; R117-L121 PolarHBondContact O-N 2.8Å; I118-L121 PolarHBondContact O-N 2.93Å; T119-L121 VanDerWaalsContact C-N 3.34Å; T119-L121 PolarHBondContact O-N 3.05Å; L121-T125 WeakPolarHBondContact O-CB 3.28Å; L121-T125 PolarHBondContact O-N 3.34Å; L121-T125 PolarHBondContact O-OG1 3.04Å; L121-I127 HydrophobicContact CG-CD1 4.34Å; L121-I334 HydrophobicContact CD2-CD1 4.34Å; L121-I334 HydrophobicContact CD2-CG2 4.01Å; L121-L337 HydrophobicContact CD1-CD2 3.52Å; L121-L337 HydrophobicContact CD2-CD1 4.36Å; L121-L337 HydrophobicContact CD2-CD2 3.9Å; L121-L337 HydrophobicContact CG-CD2 3.68Å; L121-E338 HydrophobicContact CD1-CG 3.67Å |
| 122 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -76.1 | -31.3 | 178.1 | -68.2 | 173 | 0 | 0 | 0 | 112.2 | I49 F69 S70 D71 L107 Y111 I118 T119 R120 I127 | I49-I122 HydrophobicContact CB-CG2 4.21Å; I49-I122 HydrophobicContact CD1-CD1 3.99Å; I49-I122 HydrophobicContact CD1-CG2 4.4Å; F69-I122 HydrophobicContact CB-CG1 4.43Å; F69-I122 HydrophobicContact CD1-CD1 4.15Å; S70-I122 WeakPolarHBondContact CA-O 3.29Å; D71-I122 PolarHBondContact N-O 3.15Å; L107-I122 HydrophobicContact CB-CD1 4.36Å; Y111-I122 HydrophobicContact CD2-CB 4.42Å; Y111-I122 HydrophobicContact CD2-CD1 3.89Å; Y111-I122 HydrophobicContact CE2-CG2 4.39Å; Y111-I122 HydrophobicContact CG-CD1 4.31Å; I118-I122 HydrophobicContact CG2-CD1 3.83Å; I118-I122 HydrophobicContact CG2-CG1 4.42Å; I118-I122 WeakPolarHBondContact O-CG1 3.22Å; I118-I122 PolarHBondContact O-N 3.06Å; T119-I122 PolarHBondContact O-N 2.78Å; R120-I122 VanDerWaalsContact C-N 3.26Å; R120-I122 PolarHBondContact O-N 3.11Å; I122-I127 HydrophobicContact CG1-CD1 4.36Å |
| 123 | H | 98.6 | Very high | 98.7 | Very high | 69 Ų | 69 | 33.9 Ų | 33.9 | 32% | 0.319 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -79.5 | -27.5 | 179.1 | -70.2 | -165.1 | 0 | 0 | 0 | 112.9 | Y111 T119 R120 | Y111-H123 AromaticContact CE2-CD2 3.91Å; Y111-H123 AromaticContact CE2-NE2 3.48Å; Y111-H123 WeakPolarHBondContact CE2-NE2 3.29Å; Y111-H123 AromaticContact CZ-NE2 3.7Å; Y111-H123 PolarHBondContact OH-NE2 3.13Å; T119-H123 WeakPolarHBondContact O-CB 3.38Å; T119-H123 PolarHBondContact O-CD2 3.24Å; T119-H123 VanDerWaalsContact O-CD2 3.23Å; T119-H123 VanDerWaalsContact O-CG 3.23Å; T119-H123 PolarHBondContact O-N 3.15Å; R120-H123 PolarHBondContact O-N 3.1Å; R120-H123 VanDerWaalsContact O-N 3.11Å |
| 124 | D | 98.4 | Very high | 98.7 | Very high | 82 Ų | 82 | 30.1 Ų | 30.1 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -103.4 | -4.3 | -175.7 | -63.2 | -43.8 | 0 | 0 | 0 | 112.4 | P81 R120 H341 | P81-D124 WeakPolarHBondContact CD-O 3.31Å; R120-D124 VanDerWaalsContact O-CB 3.31Å; R120-D124 WeakPolarHBondContact O-CB 3.31Å; R120-D124 PolarHBondContact O-N 3.48Å; D124-H341 PolarHBondContact O-CE1 3.37Å; D124-H341 VanDerWaalsContact O-CE1 3.26Å |
| 125 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -140.2 | 138.4 | -176.6 | -39 | 0 | 0 | 0 | 0 | 111.8 | P81 F83 L121 I127 L337 V340 H341 | P81-T125 HydrophobicContact CG-CG2 4.46Å; P81-T125 WeakPolarHBondContact O-CG2 3.31Å; F83-T125 HydrophobicContact CB-CG2 3.86Å; L121-T125 WeakPolarHBondContact O-CB 3.28Å; L121-T125 PolarHBondContact O-N 3.34Å; L121-T125 PolarHBondContact O-OG1 3.04Å; T125-I127 HydrophobicContact CG2-CG1 3.76Å; T125-L337 HydrophobicContact CG2-CD2 4.15Å; T125-V340 HydrophobicContact CG2-CG1 3.92Å; T125-H341 PolarHBondContact OG1-CE1 3.42Å; T125-H341 PolarHBondContact OG1-NE2 3.46Å | ||
| 126 | R | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106 | 165.9 | -166.2 | 163.8 | 176.4 | -150 | 13.5 | 111.2 | E68 G74 I75 E80 P81 E82 F83 | E68-R126 HydrophobicContact CG-CG 4.39Å; E68-R126 IonicContact OE1-CZ 3.23Å; E68-R126 IonicContact OE1-NE 2.7Å; E68-R126 PolarHBondContact OE1-NE 3.27Å; E68-R126 IonicContact OE1-NH2 3.22Å; E68-R126 PolarHBondContact OE1-NH2 3.07Å; E68-R126 IonicContact OE2-NH2 3.8Å; G74-R126 PolarHBondContact O-NH2 3.47Å; I75-R126 VanDerWaalsContact C-CZ 3.48Å; I75-R126 WeakPolarHBondContact O-CD 3.19Å; I75-R126 PolarHBondContact O-NE 2.94Å; I75-R126 PolarHBondContact O-NH1 3.35Å; E80-R126 HydrophobicContact CG-CB 4.49Å; P81-R126 PolarHBondContact O-N 2.91Å; E82-R126 WeakPolarHBondContact CA-O 3.4Å; E82-R126 WeakPolarHBondContact OE1-CD 3.3Å; E82-R126 IonicContact OE1-CZ 3.45Å; E82-R126 IonicContact OE1-NE 3.6Å; E82-R126 IonicContact OE1-NH1 3.65Å; E82-R126 PolarHBondContact OE1-NH1 3.04Å; E82-R126 VanDerWaalsContact OE2-CB 3.32Å; E82-R126 WeakPolarHBondContact OE2-CB 3.5Å; E82-R126 VanDerWaalsContact OE2-CD 3.29Å; E82-R126 WeakPolarHBondContact OE2-CD 3.22Å; E82-R126 VanDerWaalsContact OE2-CG 3.24Å; E82-R126 WeakPolarHBondContact OE2-CG 3.19Å; E82-R126 IonicContact OE2-NE 3.9Å; E82-R126 IonicContact OE2-NH1 2.81Å; F83-R126 PolarHBondContact N-O 3.33Å |
| 127 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.3 | -168.5 | -55.7 | 164.3 | 0 | 0 | 0 | 109.3 | E68 F69 F83 L121 I122 T125 I129 L337 | E68-I127 CarbonylContact C-O 3.57Å; E68-I127 VanDerWaalsContact CA-O 3.25Å; E68-I127 WeakPolarHBondContact CA-O 3.29Å; F69-I127 HydrophobicContact CB-CB 4.21Å; F69-I127 PolarHBondContact N-O 3.05Å; F69-I127 PolarHBondContact O-N 2.87Å; F83-I127 HydrophobicContact CD1-CG2 4.14Å; L121-I127 HydrophobicContact CG-CD1 4.34Å; I122-I127 HydrophobicContact CG1-CD1 4.36Å; T125-I127 HydrophobicContact CG2-CG1 3.76Å; I127-I129 HydrophobicContact CG2-CD1 4.37Å; I127-I129 HydrophobicContact CG2-CG1 4.08Å; I127-L337 HydrophobicContact CD1-CD1 3.81Å; I127-L337 HydrophobicContact CD1-CD2 4.06Å; I127-L337 HydrophobicContact CG1-CD1 4.01Å; I127-L337 HydrophobicContact CG1-CD2 4.11Å; I127-L337 HydrophobicContact CG2-CD1 3.82Å |
| 128 | H | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.5 | 177.1 | -62.2 | -100.2 | 0 | 0 | 0 | 112.3 | Y53 V66 E68 E82 F83 K84 Y85 W207 Y211 F213 | Y53-H128 AromaticContact CE1-ND1 3.83Å; Y53-H128 AromaticContact CZ-ND1 3.73Å; Y53-H128 PolarHBondContact OH-ND1 3.45Å; V66-H128 HydrophobicContact CG1-CB 3.89Å; E68-H128 IonicContact OE2-CE1 3.54Å; E82-H128 IonicContact OE2-CD2 3.32Å; E82-H128 IonicContact OE2-NE2 3.91Å; E82-H128 PolarHBondContact OE2-NE2 3.31Å; F83-H128 PolarHBondContact O-N 2.9Å; K84-H128 CarbonylContact C-O 3.58Å; K84-H128 WeakPolarHBondContact CA-O 3.41Å; K84-H128 HydrophobicContact CB-CB 4.18Å; Y85-H128 PolarHBondContact N-O 2.71Å; H128-W207 HydrophobicContact CB-CH2 4.34Å; H128-W207 HydrophobicContact CB-CZ2 3.62Å; H128-Y211 AromaticContact CE1-CD1 3.86Å; H128-Y211 AromaticContact CE1-CE1 3.45Å; H128-Y211 VanDerWaalsContact CE1-CE1 3.45Å; H128-Y211 WeakPolarHBondContact CE1-CE1 3.37Å; H128-Y211 AromaticContact CE1-CZ 3.76Å; H128-Y211 AromaticContact NE2-CD1 3.78Å; H128-Y211 AromaticContact NE2-CE1 3.78Å; H128-F213 HydrophobicContact CB-CE1 4.14Å; H128-F213 HydrophobicContact CB-CZ 4.36Å; H128-F213 AromaticContact CD2-CE1 3.58Å; H128-F213 AromaticContact CG-CE1 3.94Å |
| 129 | I | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.9 | -177.3 | -59.2 | 177.8 | 0 | 0 | 0 | 109.5 | V66 L67 F69 L100 L103 L107 I127 P131 | V66-I129 CarbonylContact C-O 3.53Å; V66-I129 VanDerWaalsContact CA-O 3.28Å; V66-I129 WeakPolarHBondContact CA-O 3.38Å; L67-I129 PolarHBondContact N-O 3.08Å; L67-I129 PolarHBondContact O-N 3.22Å; F69-I129 HydrophobicContact CD2-CD1 4.3Å; F69-I129 HydrophobicContact CE2-CD1 4.14Å; L100-I129 HydrophobicContact CB-CG2 3.69Å; L100-I129 HydrophobicContact CD1-CG2 4.19Å; L100-I129 HydrophobicContact CD2-CG2 4.07Å; L100-I129 HydrophobicContact CG-CG2 4.17Å; L103-I129 HydrophobicContact CD2-CD1 4Å; L103-I129 HydrophobicContact CG-CD1 4.15Å; L107-I129 HydrophobicContact CD1-CD1 3.99Å; I127-I129 HydrophobicContact CG2-CD1 4.37Å; I127-I129 HydrophobicContact CG2-CG1 4.08Å; I129-P131 HydrophobicContact CG2-CG 4.25Å; I129-P131 WeakPolarHBondContact O-CD 3.19Å |
| 130 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 95.4 | 171.1 | 174.2 | 54.8 | 0 | 0 | 0 | 108.9 | I55 L64 Y65 V66 Y85 V86 G87 S132 M133 V204 W207 | I55-L130 HydrophobicContact CD1-CD2 3.82Å; L64-L130 HydrophobicContact CB-CD1 4.3Å; Y65-L130 WeakPolarHBondContact O-CD1 3.44Å; V66-L130 HydrophobicContact CG2-CB 4.12Å; V66-L130 HydrophobicContact CG2-CD1 4.16Å; Y85-L130 PolarHBondContact O-N 3.01Å; V86-L130 WeakPolarHBondContact CA-O 3.26Å; V86-L130 HydrophobicContact CG1-CD2 3.94Å; V86-L130 HydrophobicContact CG1-CG 4.29Å; V86-L130 HydrophobicContact CG2-CB 4.4Å; V86-L130 HydrophobicContact CG2-CD2 4.38Å; G87-L130 PolarHBondContact N-O 3.03Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 WeakPolarHBondContact CD1-O 3.22Å; L130-S132 PolarHBondContact O-N 3.2Å; L130-M133 HydrophobicContact CD2-CB 4.17Å; L130-V204 HydrophobicContact CD2-CG2 4.23Å; L130-W207 HydrophobicContact CB-CH2 4.4Å; L130-W207 HydrophobicContact CB-CZ3 4.47Å; L130-W207 HydrophobicContact CD2-CZ3 4.16Å |
| 131 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -65.6 | -30 | -175.3 | -23.3 | 34.6 | 0 | 0 | 0 | 114 | M35 L39 G87 R97 L100 I101 I129 | M35-P131 HydrophobicContact SD-CB 3.98Å; L39-P131 HydrophobicContact CD1-CG 4.16Å; L39-P131 HydrophobicContact CD2-CG 4.07Å; G87-P131 CarbonylContact C-O 3.35Å; G87-P131 WeakPolarHBondContact CA-O 3.29Å; R97-P131 WeakPolarHBondContact CA-O 3.26Å; L100-P131 HydrophobicContact CB-CB 4.2Å; L100-P131 HydrophobicContact CB-CG 4.43Å; I101-P131 HydrophobicContact CG1-CB 4.08Å; I101-P131 HydrophobicContact CG1-CG 4.4Å; I129-P131 HydrophobicContact CG2-CG 4.25Å; I129-P131 WeakPolarHBondContact O-CD 3.19Å |
| 132 | S | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | trans | -145.3 | 109 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | G87 N88 R97 L130 P135 | G87-S132 WeakPolarHBondContact O-CA 3.42Å; N88-S132 PolarHBondContact OD1-OG 3.42Å; R97-S132 PolarHBondContact NH1-OG 3.32Å; R97-S132 VanDerWaalsContact NH1-OG 3.09Å; L130-S132 VanDerWaalsContact C-N 3.29Å; L130-S132 WeakPolarHBondContact CD1-O 3.22Å; L130-S132 PolarHBondContact O-N 3.2Å; S132-P135 WeakPolarHBondContact OG-CA 3.13Å | ||
| 133 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -76.5 | -28.6 | 169.7 | 178.6 | -178 | 175.4 | 0 | 0 | 111.8 | V86 G87 M89 L130 P135 L163 F167 E200 V204 M294 | V86-M133 HydrophobicContact CG1-CB 3.96Å; V86-M133 HydrophobicContact CG1-SD 4.34Å; G87-M133 PolarHBondContact O-N 3.38Å; M89-M133 HydrophobicContact CB-CB 4.04Å; M89-M133 HydrophobicContact CB-CG 4.24Å; M89-M133 HydrophobicContact CB-SD 3.66Å; M89-M133 HydrophobicContact CE-CE 4.44Å; M89-M133 HydrophobicContact CE-SD 4.04Å; L130-M133 HydrophobicContact CD2-CB 4.17Å; M133-P135 VanDerWaalsContact C-CD 3.41Å; M133-P135 VanDerWaalsContact O-CD 3.32Å; M133-P135 WeakPolarHBondContact O-CD 3.13Å; M133-L163 HydrophobicContact CE-CB 4.35Å; M133-L163 HydrophobicContact CE-CD1 4.23Å; M133-L163 HydrophobicContact CG-CD1 4.37Å; M133-F167 HydrophobicContact CE-CE2 3.97Å; M133-F167 HydrophobicContact CE-CZ 3.88Å; M133-E200 HydrophobicContact CE-CB 4.47Å; M133-E200 WeakPolarHBondContact O-CG 3.45Å; M133-V204 HydrophobicContact CE-CB 4.13Å; M133-V204 HydrophobicContact CE-CG2 3.77Å; M133-V204 HydrophobicContact CG-CG2 4Å; M133-V204 HydrophobicContact SD-CG2 3.95Å; M133-M294 HydrophobicContact CE-SD 4.47Å; M133-M294 HydrophobicContact SD-CE 4.49Å; M133-M294 HydrophobicContact SD-SD 3.94Å |
| 134 | N | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -120.5 | 69.9 | 179.2 | -174.2 | 7 | 0 | 0 | 0 | 112.2 | N88 M89 G91 D136 G137 Y138 R155 G156 N157 L163 | N88-N134 WeakPolarHBondContact O-CB 3.5Å; N88-N134 PolarHBondContact O-N 3.21Å; M89-N134 WeakPolarHBondContact O-CB 3.39Å; M89-N134 PolarHBondContact O-ND2 3.2Å; G91-N134 PolarHBondContact N-ND2 2.78Å; N134-D136 PolarHBondContact O-N 2.99Å; N134-G137 PolarHBondContact O-N 3.19Å; N134-G137 PolarHBondContact OD1-N 3.22Å; N134-Y138 PolarHBondContact O-N 3.42Å; N134-Y138 VanDerWaalsContact O-N 3.15Å; N134-R155 PolarHBondContact ND2-O 2.64Å; N134-G156 PolarHBondContact ND2-O 3.3Å; N134-N157 PolarHBondContact ND2-N 3.44Å; N134-N157 WeakPolarHBondContact OD1-CA 3.24Å; N134-L163 HydrophobicContact CB-CD1 3.81Å | ||
| 135 | P | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.7 | -25.2 | -179.2 | 28.5 | -36.1 | 0 | 0 | 0 | 112.6 | Y32 R62 L64 S132 M133 E139 | Y32-P135 HydrophobicContact CD2-CB 3.82Å; Y32-P135 HydrophobicContact CE2-CB 4.13Å; R62-P135 HydrophobicContact CB-CB 4.23Å; R62-P135 HydrophobicContact CB-CG 3.89Å; L64-P135 HydrophobicContact CD1-CG 4.25Å; S132-P135 WeakPolarHBondContact OG-CA 3.13Å; M133-P135 VanDerWaalsContact C-CD 3.41Å; M133-P135 VanDerWaalsContact O-CD 3.32Å; M133-P135 WeakPolarHBondContact O-CD 3.13Å; P135-E139 WeakPolarHBondContact O-CG 3.27Å; P135-E139 PolarHBondContact O-N 2.88Å |
| 136 | D | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71.1 | -49.2 | 178.4 | -64.8 | -0.6 | 0 | 0 | 0 | 111.6 | S58 V59 E60 R62 N134 Y138 E139 V140 S158 | S58-D136 VanDerWaalsContact CB-CG 3.44Å; S58-D136 VanDerWaalsContact CB-OD1 3.22Å; S58-D136 WeakPolarHBondContact CB-OD1 3.35Å; S58-D136 VanDerWaalsContact CB-OD2 3.29Å; S58-D136 WeakPolarHBondContact CB-OD2 3.27Å; S58-D136 PolarHBondContact OG-OD1 3.21Å; S58-D136 PolarHBondContact OG-OD2 3.3Å; S58-D136 VanDerWaalsContact OG-OD2 3.13Å; V59-D136 PolarHBondContact N-OD2 2.81Å; E60-D136 WeakPolarHBondContact CB-OD2 3.36Å; E60-D136 HydrophobicContact CG-CB 4.48Å; E60-D136 WeakPolarHBondContact CG-OD2 3.28Å; E60-D136 PolarHBondContact N-OD2 3.08Å; R62-D136 IonicContact CZ-OD1 2.74Å; R62-D136 IonicContact NH1-OD1 3.69Å; R62-D136 PolarHBondContact NH1-OD1 3.03Å; N134-D136 PolarHBondContact O-N 2.99Å; D136-Y138 PolarHBondContact O-N 2.67Å; D136-E139 PolarHBondContact O-N 3.4Å; D136-V140 PolarHBondContact O-N 3.22Å; D136-S158 PolarHBondContact OD2-OG 2.84Å |
| 137 | G | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -36.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N134 V140 A141 G154 | N134-G137 PolarHBondContact O-N 3.19Å; N134-G137 PolarHBondContact OD1-N 3.22Å; G137-V140 WeakPolarHBondContact O-CB 3.39Å; G137-V140 PolarHBondContact O-N 3.26Å; G137-A141 WeakPolarHBondContact O-CB 3.08Å; G137-A141 PolarHBondContact O-N 2.9Å; G137-G154 CarbonylContact C-O 3.29Å; G137-G154 WeakPolarHBondContact CA-O 3.42Å; G137-G154 VanDerWaalsContact O-CA 3.26Å; G137-G154 WeakPolarHBondContact O-CA 3.27Å |
| 138 | Y | 98.6 | Very high | 94 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 174.8 | 175.5 | -84.4 | 0 | 0 | 0 | 112 | H30 R31 G91 V94 N134 D136 V140 A141 A142 F316 | H30-Y138 PolarHBondContact O-OH 3.1Å; R31-Y138 HydrophobicContact CG-CE1 4.33Å; G91-Y138 WeakPolarHBondContact O-CA 3.19Å; V94-Y138 HydrophobicContact CB-CE2 4.46Å; V94-Y138 HydrophobicContact CG1-CE2 3.87Å; V94-Y138 HydrophobicContact CG2-CD2 3.98Å; V94-Y138 HydrophobicContact CG2-CE2 3.84Å; N134-Y138 PolarHBondContact O-N 3.42Å; N134-Y138 VanDerWaalsContact O-N 3.15Å; D136-Y138 PolarHBondContact O-N 2.67Å; Y138-V140 VanDerWaalsContact C-N 3.25Å; Y138-V140 PolarHBondContact O-N 3.37Å; Y138-A141 WeakPolarHBondContact O-CB 3.34Å; Y138-A141 PolarHBondContact O-N 2.99Å; Y138-A141 VanDerWaalsContact O-N 3.14Å; Y138-A142 HydrophobicContact CD1-CB 4.27Å; Y138-A142 HydrophobicContact CE1-CB 3.72Å; Y138-A142 VanDerWaalsContact O-CB 3.31Å; Y138-A142 WeakPolarHBondContact O-CB 3.43Å; Y138-A142 PolarHBondContact O-N 3.46Å; Y138-F316 HydrophobicContact CE2-CZ 4.49Å |
| 139 | E | 98.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -32.9 | 179.2 | -70.3 | -61.4 | 138.5 | 0 | 0 | 112.2 | Y32 P135 D136 R143 | Y32-E139 WeakPolarHBondContact CB-OE1 3.33Å; Y32-E139 PolarHBondContact N-OE1 3.03Å; P135-E139 WeakPolarHBondContact O-CG 3.27Å; P135-E139 PolarHBondContact O-N 2.88Å; D136-E139 PolarHBondContact O-N 3.4Å; E139-R143 VanDerWaalsContact O-CG 3.24Å; E139-R143 WeakPolarHBondContact O-CG 3.27Å; E139-R143 PolarHBondContact O-N 3.39Å |
| 140 | V | 97.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 34% | 0.339 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.1 | -48.3 | 171.8 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | D136 G137 Y138 R143 V153 | D136-V140 PolarHBondContact O-N 3.22Å; G137-V140 WeakPolarHBondContact O-CB 3.39Å; G137-V140 PolarHBondContact O-N 3.26Å; Y138-V140 VanDerWaalsContact C-N 3.25Å; Y138-V140 PolarHBondContact O-N 3.37Å; V140-R143 PolarHBondContact O-N 3.25Å; V140-V153 HydrophobicContact CG1-CG1 3.8Å |
| 141 | A | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N92 G137 Y138 R143 Q144 G145 N149 F316 | N92-A141 HydrophobicContact CB-CB 3.84Å; G137-A141 WeakPolarHBondContact O-CB 3.08Å; G137-A141 PolarHBondContact O-N 2.9Å; Y138-A141 WeakPolarHBondContact O-CB 3.34Å; Y138-A141 PolarHBondContact O-N 2.99Å; Y138-A141 VanDerWaalsContact O-N 3.14Å; A141-R143 VanDerWaalsContact C-N 3.28Å; A141-R143 PolarHBondContact O-N 3.01Å; A141-Q144 PolarHBondContact O-N 3.23Å; A141-Q144 VanDerWaalsContact O-N 3.16Å; A141-G145 PolarHBondContact O-N 3.33Å; A141-N149 WeakPolarHBondContact CA-ND2 3.31Å; A141-N149 WeakPolarHBondContact CB-ND2 3.37Å; A141-N149 PolarHBondContact O-ND2 3.45Å; A141-F316 HydrophobicContact CB-CD1 4.19Å; A141-F316 HydrophobicContact CB-CE1 4.03Å |
| 142 | A | 95.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.4 | -16.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | R31 Y138 F316 | R31-A142 PolarHBondContact NH2-O 3.15Å; Y138-A142 HydrophobicContact CD1-CB 4.27Å; Y138-A142 HydrophobicContact CE1-CB 3.72Å; Y138-A142 VanDerWaalsContact O-CB 3.31Å; Y138-A142 WeakPolarHBondContact O-CB 3.43Å; Y138-A142 PolarHBondContact O-N 3.46Å; A142-F316 HydrophobicContact CB-CE1 4.27Å; A142-F316 HydrophobicContact CB-CZ 4.22Å |
| 143 | R | 94.3 | Very high | 90.2 | Very high | 167 Ų | 167 | 52 Ų | 52 | 63% | 0.63 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -73.1 | -29.8 | 170.5 | -76.9 | 170.4 | -168.3 | 173 | 6.1 | 112.6 | E139 V140 A141 | E139-R143 VanDerWaalsContact O-CG 3.24Å; E139-R143 WeakPolarHBondContact O-CG 3.27Å; E139-R143 PolarHBondContact O-N 3.39Å; V140-R143 PolarHBondContact O-N 3.25Å; A141-R143 VanDerWaalsContact C-N 3.28Å; A141-R143 PolarHBondContact O-N 3.01Å |
| 144 | Q | 88.4 | Confident | 90.1 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -81.2 | -28.1 | 173 | -65.3 | -164.8 | -14.5 | 0 | 0 | 112 | A141 N149 V153 | A141-Q144 PolarHBondContact O-N 3.23Å; A141-Q144 VanDerWaalsContact O-N 3.16Å; Q144-N149 HydrophobicContact CB-CB 4.46Å; Q144-V153 VanDerWaalsContact CD-CG1 3.46Å; Q144-V153 HydrophobicContact CG-CG1 4.25Å |
| 145 | G | 83.9 | Confident | 90 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | trans | 81 | 164.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A141 E147 L148 N149 | A141-G145 PolarHBondContact O-N 3.33Å; G145-E147 VanDerWaalsContact C-N 3.27Å; G145-E147 PolarHBondContact O-N 3.23Å; G145-L148 PolarHBondContact O-N 2.99Å; G145-N149 WeakPolarHBondContact O-CB 3.41Å; G145-N149 PolarHBondContact O-N 3.44Å | ||
| 146 | S | 81.6 | Confident | 90 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.1 | -175 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | F316 | S146-F316 WeakPolarHBondContact CA-O 3.41Å; S146-F316 WeakPolarHBondContact CB-O 3.31Å |
| 147 | E | 75.9 | Confident | 90 | Very high | 179 Ų | 179 | 55 Ų | 55 | 84% | 0.836 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -27.3 | -174.5 | -60.5 | -173.9 | 170.8 | 0 | 0 | 114.1 | G145 | G145-E147 VanDerWaalsContact C-N 3.27Å; G145-E147 PolarHBondContact O-N 3.23Å |
| 148 | L | 72.6 | Confident | 90 | Very high | 137 Ų | 137 | 56.7 Ų | 56.7 | 72% | 0.717 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -9.3 | -172.1 | -63 | 173.8 | 0 | 0 | 0 | 113 | G145 G150 | G145-L148 PolarHBondContact O-N 2.99Å; L148-G150 PolarHBondContact O-N 3.21Å |
| 149 | N | 69.8 | Low | 89.9 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | trans | -69.6 | 104.9 | 178.6 | -165.5 | -21.5 | 0 | 0 | 0 | 109.3 | A141 Q144 G145 V153 F316 | A141-N149 WeakPolarHBondContact CA-ND2 3.31Å; A141-N149 WeakPolarHBondContact CB-ND2 3.37Å; A141-N149 PolarHBondContact O-ND2 3.45Å; Q144-N149 HydrophobicContact CB-CB 4.46Å; G145-N149 WeakPolarHBondContact O-CB 3.41Å; G145-N149 PolarHBondContact O-N 3.44Å; N149-V153 PolarHBondContact OD1-O 3.44Å; N149-F316 HydrophobicContact CB-CB 4.49Å; N149-F316 HydrophobicContact CB-CD1 4.3Å; N149-F316 WeakPolarHBondContact ND2-CD1 3.34Å | ||
| 150 | G | 74.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | trans | -66.9 | -166.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L148 L152 | L148-G150 PolarHBondContact O-N 3.21Å; G150-L152 VanDerWaalsContact C-N 3.3Å; G150-L152 PolarHBondContact O-N 2.83Å | ||
| 151 | Y | 84.6 | Confident | 89.9 | Confident | 155 Ų | 155 | 70.2 Ų | 70.2 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.1 | -22.9 | -172.2 | -161.8 | -94 | 0 | 0 | 0 | 114.8 | N92 K315 | N92-Y151 PolarHBondContact ND2-O 3.32Å; Y151-K315 HydrophobicContact CD2-CD 4.45Å; Y151-K315 HydrophobicContact CE2-CD 4.4Å; Y151-K315 VanDerWaalsContact CE2-CE 3.46Å; Y151-K315 VanDerWaalsContact CZ-CE 3.47Å |
| 152 | L | 92.9 | Very high | 90 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -122.1 | -18.5 | -166 | -64.4 | 177.4 | 0 | 0 | 0 | 115.5 | G150 G154 R155 | G150-L152 VanDerWaalsContact C-N 3.3Å; G150-L152 PolarHBondContact O-N 2.83Å; L152-G154 PolarHBondContact O-N 3.11Å; L152-R155 VanDerWaalsContact O-CB 3.24Å; L152-R155 WeakPolarHBondContact O-CB 3.37Å; L152-R155 PolarHBondContact O-N 2.79Å |
| 153 | V | 94.8 | Very high | 90.2 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 121.2 | -170.6 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | N92 V140 Q144 N149 R155 | N92-V153 WeakPolarHBondContact CB-O 3.38Å; V140-V153 HydrophobicContact CG1-CG1 3.8Å; Q144-V153 VanDerWaalsContact CD-CG1 3.46Å; Q144-V153 HydrophobicContact CG-CG1 4.25Å; N149-V153 PolarHBondContact OD1-O 3.44Å; V153-R155 VanDerWaalsContact C-N 3.29Å |
| 154 | G | 96.2 | Very high | 90.4 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 10.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G91 N92 G137 L152 | G91-G154 CarbonylContact C-O 3.59Å; G91-G154 WeakPolarHBondContact CA-O 3.44Å; G91-G154 PolarHBondContact N-O 2.99Å; N92-G154 PolarHBondContact N-O 2.92Å; G137-G154 CarbonylContact C-O 3.29Å; G137-G154 WeakPolarHBondContact CA-O 3.42Å; G137-G154 VanDerWaalsContact O-CA 3.26Å; G137-G154 WeakPolarHBondContact O-CA 3.27Å; L152-G154 PolarHBondContact O-N 3.11Å |
| 155 | R | 98.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 14% | 0.14 | 33% | 0.33 | C | S | . | . | trans | -65.3 | -52 | 174.5 | -178.5 | -173.5 | 170.1 | 78.8 | -0.4 | 111.9 | H90 G91 N92 E93 N134 L152 V153 D162 | H90-R155 VanDerWaalsContact CA-O 3.3Å; H90-R155 WeakPolarHBondContact CA-O 3.46Å; H90-R155 HydrophobicContact CB-CG 3.95Å; H90-R155 PolarHBondContact CE1-NH1 2.97Å; H90-R155 VanDerWaalsContact CE1-NH1 3.33Å; H90-R155 PolarHBondContact CE1-NH2 3.18Å; H90-R155 PolarHBondContact ND1-NH1 3.44Å; H90-R155 VanDerWaalsContact ND1-NH1 3.16Å; H90-R155 VanDerWaalsContact NE2-CZ 3.32Å; H90-R155 PolarHBondContact NE2-NH2 3.27Å; G91-R155 PolarHBondContact N-O 2.95Å; N92-R155 WeakPolarHBondContact OD1-CA 3.44Å; N92-R155 WeakPolarHBondContact OD1-CB 3.24Å; E93-R155 IonicContact OE1-NH1 2.72Å; E93-R155 PolarHBondContact OE1-NH1 2.89Å; N134-R155 PolarHBondContact ND2-O 2.64Å; L152-R155 VanDerWaalsContact O-CB 3.24Å; L152-R155 WeakPolarHBondContact O-CB 3.37Å; L152-R155 PolarHBondContact O-N 2.79Å; V153-R155 VanDerWaalsContact C-N 3.29Å; R155-D162 IonicContact CZ-OD2 3.43Å; R155-D162 IonicContact NE-OD2 3.4Å; R155-D162 PolarHBondContact NE-OD2 3.17Å; R155-D162 IonicContact NH2-OD2 3.48Å; R155-D162 PolarHBondContact NH2-OD2 2.69Å | ||
| 156 | G | 98.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -73.1 | 172 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N134 I161 | N134-G156 PolarHBondContact ND2-O 3.3Å; G156-I161 CarbonylContact C-O 3.46Å; G156-I161 VanDerWaalsContact CA-O 3.23Å; G156-I161 WeakPolarHBondContact CA-O 2.93Å |
| 157 | N | 98.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | trans | -70.7 | -175.5 | 166.9 | 77.8 | -12.1 | 0 | 0 | 0 | 110.9 | N134 R159 D160 I161 L163 E198 E200 | N134-N157 PolarHBondContact ND2-N 3.44Å; N134-N157 WeakPolarHBondContact OD1-CA 3.24Å; N157-R159 PolarHBondContact O-N 2.88Å; N157-R159 PolarHBondContact OD1-N 2.89Å; N157-D160 WeakPolarHBondContact O-CA 3.33Å; N157-D160 PolarHBondContact O-N 3.26Å; N157-I161 PolarHBondContact N-O 3.31Å; N157-I161 PolarHBondContact OD1-N 2.82Å; N157-I161 VanDerWaalsContact OD1-N 3.11Å; N157-L163 HydrophobicContact CB-CD1 4.41Å; N157-L163 HydrophobicContact CB-CD2 4.05Å; N157-L163 HydrophobicContact CB-CG 4.26Å; N157-E198 WeakPolarHBondContact ND2-CG 3.09Å; N157-E198 PolarHBondContact ND2-OE2 2.7Å; N157-E200 PolarHBondContact ND2-OE2 3.31Å | ||
| 158 | S | 97.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -3.4 | -178.4 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | V59 D136 | V59-S158 WeakPolarHBondContact CB-OG 3.23Å; V59-S158 WeakPolarHBondContact CG1-OG 3.31Å; D136-S158 PolarHBondContact OD2-OG 2.84Å |
| 159 | R | 98.1 | Very high | 94.5 | Very high | 145 Ų | 145 | 49.4 Ų | 49.4 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 14.5 | 167.6 | -58.7 | -173.2 | -172 | 154.2 | -5.2 | 112.8 | V59 N157 I161 E198 | V59-R159 HydrophobicContact CG1-CG 4.04Å; V59-R159 HydrophobicContact CG2-CG 4.19Å; N157-R159 PolarHBondContact O-N 2.88Å; N157-R159 PolarHBondContact OD1-N 2.89Å; R159-I161 HydrophobicContact CB-CG1 4.23Å; R159-I161 PolarHBondContact O-N 2.83Å; R159-E198 WeakPolarHBondContact CD-OE2 3.47Å; R159-E198 IonicContact CZ-OE2 3.13Å; R159-E198 IonicContact NE-OE2 3.72Å; R159-E198 IonicContact NH1-OE1 3.61Å; R159-E198 PolarHBondContact NH1-OE1 2.98Å; R159-E198 IonicContact NH1-OE2 3.21Å; R159-E198 PolarHBondContact NH1-OE2 3.19Å |
| 160 | D | 97.3 | Very high | 95.9 | Very high | 149 Ų | 149 | 48.8 Ų | 48.8 | 80% | 0.797 | 25% | 0.25 | S | S | * | . | trans | 58.8 | 24.7 | -177.2 | -63.7 | -49.9 | 0 | 0 | 0 | 114.2 | N157 | N157-D160 WeakPolarHBondContact O-CA 3.33Å; N157-D160 PolarHBondContact O-N 3.26Å | ||
| 161 | I | 98.6 | Very high | 97 | Very high | 64 Ų | 64 | 47 Ų | 47 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | trans | -87.6 | 128.7 | 175 | -57.4 | -59.7 | 0 | 0 | 0 | 109.8 | G156 N157 R159 L163 N166 E198 | G156-I161 CarbonylContact C-O 3.46Å; G156-I161 VanDerWaalsContact CA-O 3.23Å; G156-I161 WeakPolarHBondContact CA-O 2.93Å; N157-I161 PolarHBondContact N-O 3.31Å; N157-I161 PolarHBondContact OD1-N 2.82Å; N157-I161 VanDerWaalsContact OD1-N 3.11Å; R159-I161 HydrophobicContact CB-CG1 4.23Å; R159-I161 PolarHBondContact O-N 2.83Å; I161-L163 PolarHBondContact O-N 2.89Å; I161-N166 HydrophobicContact CG2-CB 4.22Å; I161-E198 HydrophobicContact CB-CG 3.85Å; I161-E198 HydrophobicContact CG1-CG 4.05Å; I161-E198 HydrophobicContact CG2-CG 3.78Å | ||
| 162 | D | 98.7 | Very high | 97.4 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | trans | -70.7 | 107.7 | 169.6 | -174.3 | -42.2 | 0 | 0 | 0 | 108.9 | H90 R155 N164 R165 N166 | H90-D162 IonicContact CD2-OD1 2.81Å; H90-D162 IonicContact NE2-OD1 3.66Å; H90-D162 PolarHBondContact NE2-OD1 3.14Å; H90-D162 IonicContact NE2-OD2 2.99Å; R155-D162 IonicContact CZ-OD2 3.43Å; R155-D162 IonicContact NE-OD2 3.4Å; R155-D162 PolarHBondContact NE-OD2 3.17Å; R155-D162 IonicContact NH2-OD2 3.48Å; R155-D162 PolarHBondContact NH2-OD2 2.69Å; D162-N164 PolarHBondContact O-N 2.69Å; D162-N164 VanDerWaalsContact OD1-CA 3.32Å; D162-N164 WeakPolarHBondContact OD1-CA 3.43Å; D162-N164 WeakPolarHBondContact OD1-CB 3.23Å; D162-N164 PolarHBondContact OD1-N 3.16Å; D162-R165 HydrophobicContact CB-CB 4.22Å; D162-R165 HydrophobicContact CB-CG 4.08Å; D162-R165 CarbonylContact O-C 3.58Å; D162-R165 WeakPolarHBondContact O-CA 3.17Å; D162-R165 PolarHBondContact O-N 2.9Å; D162-R165 PolarHBondContact OD1-N 3.2Å; D162-N166 PolarHBondContact O-N 2.83Å | ||
| 163 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -63 | -27.8 | -178.2 | -63.1 | -177.1 | 0 | 0 | 0 | 112.3 | M89 M133 N134 N157 I161 R165 N166 F167 E198 E200 | M89-L163 HydrophobicContact CE-CB 4.22Å; M133-L163 HydrophobicContact CE-CB 4.35Å; M133-L163 HydrophobicContact CE-CD1 4.23Å; M133-L163 HydrophobicContact CG-CD1 4.37Å; N134-L163 HydrophobicContact CB-CD1 3.81Å; N157-L163 HydrophobicContact CB-CD1 4.41Å; N157-L163 HydrophobicContact CB-CD2 4.05Å; N157-L163 HydrophobicContact CB-CG 4.26Å; I161-L163 PolarHBondContact O-N 2.89Å; L163-R165 PolarHBondContact O-N 3.49Å; L163-N166 PolarHBondContact O-N 2.98Å; L163-F167 WeakPolarHBondContact O-CD2 3.48Å; L163-E198 HydrophobicContact CD2-CB 3.83Å; L163-E198 HydrophobicContact CD2-CG 4.24Å; L163-E200 HydrophobicContact CD1-CB 3.72Å; L163-E200 HydrophobicContact CD1-CG 4.06Å; L163-E200 HydrophobicContact CD2-CB 4.19Å |
| 164 | N | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -83.8 | 15 | 173.8 | -154.6 | 19.2 | 0 | 0 | 0 | 112.6 | M89 D162 K292 G293 M294 | M89-N164 HydrophobicContact CE-CB 3.51Å; M89-N164 HydrophobicContact SD-CB 3.78Å; D162-N164 PolarHBondContact O-N 2.69Å; D162-N164 VanDerWaalsContact OD1-CA 3.32Å; D162-N164 WeakPolarHBondContact OD1-CA 3.43Å; D162-N164 WeakPolarHBondContact OD1-CB 3.23Å; D162-N164 PolarHBondContact OD1-N 3.16Å; N164-K292 CarbonylContact C-O 3.59Å; N164-G293 WeakPolarHBondContact O-CA 3.08Å; N164-G293 WeakPolarHBondContact OD1-CA 3.39Å; N164-M294 PolarHBondContact OD1-N 2.67Å |
| 165 | R | 98.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 37.9 Ų | 37.9 | 30% | 0.298 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -127.4 | 12.3 | 164.2 | -60.2 | -63.4 | -178.4 | -72.4 | -2.8 | 111.8 | D162 L163 L290 S291 K292 | D162-R165 HydrophobicContact CB-CB 4.22Å; D162-R165 HydrophobicContact CB-CG 4.08Å; D162-R165 CarbonylContact O-C 3.58Å; D162-R165 WeakPolarHBondContact O-CA 3.17Å; D162-R165 PolarHBondContact O-N 2.9Å; D162-R165 PolarHBondContact OD1-N 3.2Å; L163-R165 PolarHBondContact O-N 3.49Å; R165-L290 VanDerWaalsContact NH1-CG 3.32Å; R165-L290 VanDerWaalsContact NH2-CD1 3.31Å; R165-S291 VanDerWaalsContact CD-O 3.23Å; R165-S291 WeakPolarHBondContact CD-O 3.25Å; R165-K292 VanDerWaalsContact C-CB 3.42Å; R165-K292 CarbonylContact C-O 3.17Å; R165-K292 VanDerWaalsContact C-O 3.25Å; R165-K292 VanDerWaalsContact CA-O 3.27Å; R165-K292 WeakPolarHBondContact CA-O 3.49Å; R165-K292 PolarHBondContact N-O 2.91Å; R165-K292 WeakPolarHBondContact O-CB 3.47Å; R165-K292 WeakPolarHBondContact O-CD 3.43Å; R165-K292 WeakPolarHBondContact O-CE 3.31Å |
| 166 | N | 98.7 | Very high | 97.6 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -16.4 | -171.4 | -167.7 | -111.9 | 0 | 0 | 0 | 114 | I161 D162 L163 V197 E198 T201 K292 | I161-N166 HydrophobicContact CG2-CB 4.22Å; D162-N166 PolarHBondContact O-N 2.83Å; L163-N166 PolarHBondContact O-N 2.98Å; N166-V197 WeakPolarHBondContact O-CG1 3.5Å; N166-V197 VanDerWaalsContact OD1-CA 3.26Å; N166-V197 WeakPolarHBondContact OD1-CA 3.34Å; N166-V197 WeakPolarHBondContact OD1-CB 3.25Å; N166-E198 PolarHBondContact OD1-N 3.17Å; N166-T201 VanDerWaalsContact OD1-CB 3.27Å; N166-T201 WeakPolarHBondContact OD1-CB 3.38Å; N166-T201 PolarHBondContact OD1-OG1 3.03Å; N166-K292 PolarHBondContact N-O 3.3Å |
| 167 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -67.6 | 153.7 | 178.4 | -72.3 | -102 | 0 | 0 | 0 | 112.3 | M89 M133 L163 D169 T201 V204 I205 K292 M294 F297 | M89-F167 HydrophobicContact CE-CE2 4.3Å; M133-F167 HydrophobicContact CE-CE2 3.97Å; M133-F167 HydrophobicContact CE-CZ 3.88Å; L163-F167 WeakPolarHBondContact O-CD2 3.48Å; F167-D169 PolarHBondContact O-N 3.02Å; F167-T201 HydrophobicContact CD1-CG2 3.98Å; F167-T201 HydrophobicContact CD2-CG2 3.94Å; F167-T201 HydrophobicContact CE1-CG2 3.97Å; F167-T201 HydrophobicContact CE2-CG2 3.91Å; F167-T201 HydrophobicContact CG-CG2 3.96Å; F167-T201 HydrophobicContact CZ-CG2 3.93Å; F167-V204 HydrophobicContact CE1-CG1 4.22Å; F167-V204 HydrophobicContact CZ-CB 4.45Å; F167-V204 HydrophobicContact CZ-CG1 4Å; F167-I205 HydrophobicContact CD1-CD1 3.95Å; F167-I205 HydrophobicContact CD1-CG1 3.86Å; F167-I205 HydrophobicContact CE1-CD1 4.25Å; F167-I205 HydrophobicContact CE1-CG1 3.72Å; F167-K292 PolarHBondContact N-O 3.2Å; F167-K292 VanDerWaalsContact N-O 3.1Å; F167-K292 WeakPolarHBondContact O-CA 3.25Å; F167-K292 WeakPolarHBondContact O-CB 3.26Å; F167-K292 WeakPolarHBondContact O-CE 3.07Å; F167-K292 VanDerWaalsContact O-CG 3.23Å; F167-K292 WeakPolarHBondContact O-CG 3.41Å; F167-K292 PolarHBondContact O-NZ 3.21Å; F167-M294 HydrophobicContact CD2-CB 3.93Å; F167-M294 HydrophobicContact CE1-CB 4.28Å; F167-M294 HydrophobicContact CE1-CG 3.83Å; F167-M294 HydrophobicContact CE1-SD 4.4Å; F167-M294 HydrophobicContact CE2-CB 3.53Å; F167-M294 HydrophobicContact CE2-CG 3.81Å; F167-M294 HydrophobicContact CE2-SD 4.12Å; F167-M294 HydrophobicContact CG-CB 4.49Å; F167-M294 HydrophobicContact CZ-CB 3.72Å; F167-M294 HydrophobicContact CZ-CG 3.42Å; F167-M294 VanDerWaalsContact CZ-CG 3.42Å; F167-M294 HydrophobicContact CZ-SD 3.6Å; F167-F297 HydrophobicContact CB-CB 4.12Å; F167-F297 HydrophobicContact CB-CD2 4.15Å; F167-F297 HydrophobicContact CB-CG 4.2Å; F167-F297 HydrophobicContact CD1-CB 3.97Å; F167-F297 AromaticContact CD1-CD1 3.67Å; F167-F297 HydrophobicContact CD1-CD1 3.67Å; F167-F297 HydrophobicContact CD1-CD2 4.12Å; F167-F297 HydrophobicContact CD1-CE1 4.18Å; F167-F297 AromaticContact CD1-CG 3.64Å; F167-F297 HydrophobicContact CD1-CG 3.64Å; F167-F297 HydrophobicContact CE1-CD1 4.13Å; F167-F297 HydrophobicContact CG-CB 4.29Å; F167-F297 HydrophobicContact CG-CG 4.31Å |
| 168 | P | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 47.6 Ų | 47.6 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | trans | -55.7 | 131.5 | 168.6 | -26.9 | 36 | 0 | 0 | 0 | 111.7 | L170 L189 W193 I205 F297 | P168-L170 HydrophobicContact CB-CD2 4.36Å; P168-L170 PolarHBondContact O-N 2.76Å; P168-L189 HydrophobicContact CB-CD2 4.17Å; P168-L189 HydrophobicContact CG-CD2 4.17Å; P168-W193 HydrophobicContact CG-CB 4.45Å; P168-I205 HydrophobicContact CG-CD1 4.41Å; P168-F297 HydrophobicContact CB-CD2 4.38Å; P168-F297 HydrophobicContact CB-CE2 4.05Å; P168-F297 HydrophobicContact CG-CD2 4.49Å; P168-F297 HydrophobicContact CG-CE2 3.88Å | ||
| 169 | D | 95.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | trans | -81.3 | 98.3 | 178.2 | -177 | -16.4 | 0 | 0 | 0 | 110.1 | F167 N171 S172 K232 K292 | F167-D169 PolarHBondContact O-N 3.02Å; D169-N171 WeakPolarHBondContact OD1-CB 3.42Å; D169-N171 PolarHBondContact OD1-N 2.58Å; D169-S172 PolarHBondContact OD1-N 3.01Å; D169-K232 IonicContact OD1-NZ 3.7Å; D169-K232 PolarHBondContact OD1-NZ 3.15Å; D169-K232 IonicContact OD2-NZ 3.86Å; D169-K232 PolarHBondContact OD2-NZ 3.05Å; D169-K292 HydrophobicContact CB-CG 3.81Å | ||
| 170 | L | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -91.7 | -12.4 | 179.4 | -56.6 | -179.4 | 0 | 0 | 0 | 112.5 | P168 S172 L173 M174 L187 L189 F297 L300 Y301 | P168-L170 HydrophobicContact CB-CD2 4.36Å; P168-L170 PolarHBondContact O-N 2.76Å; L170-S172 PolarHBondContact O-N 2.81Å; L170-L173 PolarHBondContact O-N 2.82Å; L170-M174 PolarHBondContact O-N 3.32Å; L170-L187 HydrophobicContact CB-CB 4.45Å; L170-L187 HydrophobicContact CB-CD1 4.13Å; L170-L187 HydrophobicContact CD1-CB 4.27Å; L170-L187 HydrophobicContact CD2-CB 4.43Å; L170-L187 WeakPolarHBondContact O-CD1 3.37Å; L170-L189 HydrophobicContact CD1-CD2 4.16Å; L170-L189 HydrophobicContact CD2-CD2 4.17Å; L170-F297 HydrophobicContact CD1-CD2 3.87Å; L170-F297 HydrophobicContact CD1-CE2 3.96Å; L170-F297 HydrophobicContact CG-CD2 4.31Å; L170-L300 HydrophobicContact CB-CB 3.8Å; L170-L300 HydrophobicContact CB-CD1 3.76Å; L170-L300 HydrophobicContact CB-CG 4.44Å; L170-L300 HydrophobicContact CD1-CB 4.06Å; L170-Y301 HydrophobicContact CD1-CD2 4.19Å; L170-Y301 HydrophobicContact CD1-CG 4.34Å | ||
| 171 | N | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | -178.6 | -61.5 | 80.9 | 0 | 0 | 0 | 112.1 | D169 L173 M174 Y175 F230 K232 D296 L300 | D169-N171 WeakPolarHBondContact OD1-CB 3.42Å; D169-N171 PolarHBondContact OD1-N 2.58Å; N171-L173 PolarHBondContact O-N 2.91Å; N171-M174 WeakPolarHBondContact O-CB 3.44Å; N171-M174 PolarHBondContact O-N 2.89Å; N171-Y175 HydrophobicContact CB-CE2 3.94Å; N171-Y175 PolarHBondContact ND2-OH 3.21Å; N171-Y175 VanDerWaalsContact O-CD2 3.31Å; N171-Y175 WeakPolarHBondContact O-CD2 3.44Å; N171-Y175 PolarHBondContact O-N 2.86Å; N171-F230 WeakPolarHBondContact ND2-CD1 3.32Å; N171-K232 HydrophobicContact CB-CB 3.92Å; N171-K232 HydrophobicContact CB-CD 3.52Å; N171-K232 HydrophobicContact CB-CG 4.35Å; N171-D296 PolarHBondContact ND2-OD2 2.95Å; N171-L300 HydrophobicContact CB-CD1 4.43Å |
| 172 | S | 92.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 177.7 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | D169 L170 Y176 K232 | D169-S172 PolarHBondContact OD1-N 3.01Å; L170-S172 PolarHBondContact O-N 2.81Å; S172-Y176 PolarHBondContact O-N 2.94Å; S172-K232 PolarHBondContact OG-NZ 3.05Å |
| 173 | L | 96.2 | Very high | 96.5 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71 | -42.3 | 178.5 | -174.8 | 59.4 | 0 | 0 | 0 | 110.8 | L170 N171 Y175 Y176 Y177 L187 P188 | L170-L173 PolarHBondContact O-N 2.82Å; N171-L173 PolarHBondContact O-N 2.91Å; L173-Y175 PolarHBondContact O-N 3.35Å; L173-Y176 WeakPolarHBondContact O-CB 3.48Å; L173-Y176 PolarHBondContact O-N 2.79Å; L173-Y177 HydrophobicContact CD1-CD2 4.18Å; L173-Y177 HydrophobicContact CD1-CE1 4.15Å; L173-Y177 HydrophobicContact CD1-CE2 3.61Å; L173-Y177 HydrophobicContact CD2-CE2 3.88Å; L173-Y177 HydrophobicContact CG-CD2 3.91Å; L173-Y177 HydrophobicContact CG-CE2 3.5Å; L173-Y177 VanDerWaalsContact CG-CE2 3.5Å; L173-Y177 PolarHBondContact O-N 2.86Å; L173-L187 HydrophobicContact CB-CD1 4.32Å; L173-L187 HydrophobicContact CD2-CB 4.28Å; L173-L187 HydrophobicContact CD2-CD1 4.47Å; L173-L187 HydrophobicContact CG-CD1 4.37Å; L173-P188 HydrophobicContact CD2-CG 4.26Å |
| 174 | M | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 174.8 | -172 | 64.3 | -135.7 | 0 | 0 | 111.7 | L170 N171 Y176 Y177 E178 N184 L187 F230 L300 | L170-M174 PolarHBondContact O-N 3.32Å; N171-M174 WeakPolarHBondContact O-CB 3.44Å; N171-M174 PolarHBondContact O-N 2.89Å; M174-Y176 PolarHBondContact O-N 2.85Å; M174-Y177 CarbonylContact O-C 3.59Å; M174-Y177 PolarHBondContact O-N 3.34Å; M174-E178 HydrophobicContact CE-CG 3.47Å; M174-E178 VanDerWaalsContact CE-CG 3.47Å; M174-E178 HydrophobicContact CG-CG 4.45Å; M174-E178 WeakPolarHBondContact O-CG 3.49Å; M174-E178 PolarHBondContact O-N 2.95Å; M174-N184 HydrophobicContact CE-CB 4.13Å; M174-L187 HydrophobicContact CB-CD1 3.88Å; M174-L187 HydrophobicContact SD-CD1 4.25Å; M174-F230 HydrophobicContact CG-CZ 4.28Å; M174-L300 HydrophobicContact CB-CD1 4.25Å; M174-L300 HydrophobicContact CB-CD2 3.83Å; M174-L300 HydrophobicContact CG-CD2 3.63Å; M174-L300 HydrophobicContact SD-CD2 3.84Å |
| 175 | Y | 95.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.8 | -26.1 | -179 | -56.8 | -24.7 | 0 | 0 | 0 | 113.1 | N171 L173 K179 F230 K232 R234 S245 | N171-Y175 HydrophobicContact CB-CE2 3.94Å; N171-Y175 PolarHBondContact ND2-OH 3.21Å; N171-Y175 VanDerWaalsContact O-CD2 3.31Å; N171-Y175 WeakPolarHBondContact O-CD2 3.44Å; N171-Y175 PolarHBondContact O-N 2.86Å; L173-Y175 PolarHBondContact O-N 3.35Å; Y175-K179 WeakPolarHBondContact O-CG 3.45Å; Y175-F230 AromaticContact CE1-CD2 3.91Å; Y175-F230 HydrophobicContact CE1-CD2 3.91Å; Y175-F230 HydrophobicContact CE1-CE2 4.03Å; Y175-F230 HydrophobicContact CE1-CG 4.45Å; Y175-F230 WeakPolarHBondContact OH-CB 3.45Å; Y175-K232 HydrophobicContact CE2-CD 4.43Å; Y175-K232 PolarHBondContact OH-O 2.94Å; Y175-R234 HydrophobicContact CD1-CG 3.8Å; Y175-R234 HydrophobicContact CD2-CB 4.41Å; Y175-R234 HydrophobicContact CD2-CG 3.8Å; Y175-R234 HydrophobicContact CE1-CG 3.79Å; Y175-R234 HydrophobicContact CE2-CB 4.43Å; Y175-R234 HydrophobicContact CE2-CG 3.76Å; Y175-R234 HydrophobicContact CG-CG 3.83Å; Y175-S245 PolarHBondContact OH-OG 2.9Å |
| 176 | Y | 95.3 | Very high | 96.5 | Very high | 135 Ų | 135 | 53.2 Ų | 53.2 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.1 | -44.5 | 169.5 | 173.2 | -98.5 | 0 | 0 | 0 | 111.7 | S172 L173 M174 K179 T180 | S172-Y176 PolarHBondContact O-N 2.94Å; L173-Y176 WeakPolarHBondContact O-CB 3.48Å; L173-Y176 PolarHBondContact O-N 2.79Å; M174-Y176 PolarHBondContact O-N 2.85Å; Y176-K179 PolarHBondContact O-N 3.47Å; Y176-T180 HydrophobicContact CD2-CG2 4.29Å; Y176-T180 HydrophobicContact CE1-CG2 4.2Å; Y176-T180 HydrophobicContact CE2-CG2 3.78Å; Y176-T180 PolarHBondContact O-N 3.33Å; Y176-T180 VanDerWaalsContact O-N 3.09Å; Y176-T180 PolarHBondContact O-OG1 3.47Å |
| 177 | Y | 96.8 | Very high | 96.5 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -31.6 | 178.8 | -71.2 | -29 | 0 | 0 | 0 | 113.9 | L173 M174 K179 T180 N181 G182 R183 L187 | L173-Y177 HydrophobicContact CD1-CD2 4.18Å; L173-Y177 HydrophobicContact CD1-CE1 4.15Å; L173-Y177 HydrophobicContact CD1-CE2 3.61Å; L173-Y177 HydrophobicContact CD2-CE2 3.88Å; L173-Y177 HydrophobicContact CG-CD2 3.91Å; L173-Y177 HydrophobicContact CG-CE2 3.5Å; L173-Y177 VanDerWaalsContact CG-CE2 3.5Å; L173-Y177 PolarHBondContact O-N 2.86Å; M174-Y177 CarbonylContact O-C 3.59Å; M174-Y177 PolarHBondContact O-N 3.34Å; Y177-K179 PolarHBondContact O-N 3.19Å; Y177-T180 WeakPolarHBondContact CA-OG1 3.38Å; Y177-T180 PolarHBondContact O-N 3.47Å; Y177-N181 WeakPolarHBondContact O-CA 3.13Å; Y177-N181 PolarHBondContact O-N 2.87Å; Y177-G182 PolarHBondContact O-N 2.96Å; Y177-R183 VanDerWaalsContact CB-O 3.26Å; Y177-R183 WeakPolarHBondContact CB-O 3.07Å; Y177-R183 HydrophobicContact CD2-CB 4.16Å; Y177-R183 WeakPolarHBondContact CD2-O 3.47Å; Y177-R183 HydrophobicContact CE2-CB 4.13Å; Y177-L187 HydrophobicContact CD2-CD2 3.75Å; Y177-L187 HydrophobicContact CE2-CD2 3.91Å |
| 178 | E | 94.2 | Very high | 96.4 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.9 | -38.5 | 169.6 | -71.9 | 179.8 | 164.7 | 0 | 0 | 111.7 | M174 R234 | M174-E178 HydrophobicContact CE-CG 3.47Å; M174-E178 VanDerWaalsContact CE-CG 3.47Å; M174-E178 HydrophobicContact CG-CG 4.45Å; M174-E178 WeakPolarHBondContact O-CG 3.49Å; M174-E178 PolarHBondContact O-N 2.95Å; E178-R234 VanDerWaalsContact CD-NH2 3.3Å; E178-R234 IonicContact OE1-CZ 3.65Å; E178-R234 IonicContact OE1-NH2 3.74Å; E178-R234 PolarHBondContact OE1-NH2 3.04Å; E178-R234 IonicContact OE2-CZ 2.88Å; E178-R234 IonicContact OE2-NE 3.93Å; E178-R234 PolarHBondContact OE2-NE 2.83Å; E178-R234 IonicContact OE2-NH2 3.03Å; E178-R234 PolarHBondContact OE2-NH2 2.84Å |
| 179 | K | 93.8 | Very high | 96.4 | Very high | 183 Ų | 183 | 56.1 Ų | 56.1 | 80% | 0.796 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -81.9 | -26.3 | -178.6 | -66.8 | 175.5 | -175.7 | 177.7 | 0 | 113.6 | Y175 Y176 Y177 | Y175-K179 WeakPolarHBondContact O-CG 3.45Å; Y176-K179 PolarHBondContact O-N 3.47Å; Y177-K179 PolarHBondContact O-N 3.19Å |
| 180 | T | 95.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 56.5 Ų | 56.5 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -107.2 | 4.8 | -174.3 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | Y176 Y177 G182 | Y176-T180 HydrophobicContact CD2-CG2 4.29Å; Y176-T180 HydrophobicContact CE1-CG2 4.2Å; Y176-T180 HydrophobicContact CE2-CG2 3.78Å; Y176-T180 PolarHBondContact O-N 3.33Å; Y176-T180 VanDerWaalsContact O-N 3.09Å; Y176-T180 PolarHBondContact O-OG1 3.47Å; Y177-T180 WeakPolarHBondContact CA-OG1 3.38Å; Y177-T180 PolarHBondContact O-N 3.47Å; T180-G182 PolarHBondContact O-N 3.2Å |
| 181 | N | 92.8 | Very high | 96.3 | Very high | 140 Ų | 140 | 64.2 Ų | 64.2 | 75% | 0.749 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 43.6 | -174.3 | -159.4 | 66.7 | 0 | 0 | 0 | 111.9 | Y177 | Y177-N181 WeakPolarHBondContact O-CA 3.13Å; Y177-N181 PolarHBondContact O-N 2.87Å |
| 182 | G | 95.2 | Very high | 96.2 | Very high | 29 Ų | 29 | 67.9 Ų | 67.9 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -85.9 | -161.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y177 T180 | Y177-G182 PolarHBondContact O-N 2.96Å; T180-G182 PolarHBondContact O-N 3.2Å | ||
| 183 | R | 96.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | trans | -63.7 | 136.4 | 178.8 | -177.5 | 177.6 | -69.1 | 170.6 | 0.3 | 110.7 | Y177 H185 L187 | Y177-R183 VanDerWaalsContact CB-O 3.26Å; Y177-R183 WeakPolarHBondContact CB-O 3.07Å; Y177-R183 HydrophobicContact CD2-CB 4.16Å; Y177-R183 WeakPolarHBondContact CD2-O 3.47Å; Y177-R183 HydrophobicContact CE2-CB 4.13Å; R183-H185 WeakPolarHBondContact CD-O 3.46Å; R183-H185 WeakPolarHBondContact CG-O 3.27Å; R183-L187 HydrophobicContact CB-CD2 4.29Å; R183-L187 HydrophobicContact CG-CD2 4.1Å | ||
| 184 | N | 98.1 | Very high | 96.5 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.064 | 34% | 0.335 | C | S | . | . | trans | -113.2 | -0.5 | -175.2 | 69.3 | 24.4 | 0 | 0 | 0 | 114.7 | M174 N367 H368 D369 | M174-N184 HydrophobicContact CE-CB 4.13Å; N184-N367 WeakPolarHBondContact CB-O 3.48Å; N184-N367 PolarHBondContact ND2-OD1 3.22Å; N184-H368 PolarHBondContact O-ND1 2.88Å; N184-D369 PolarHBondContact ND2-OD2 3.26Å; N184-D369 PolarHBondContact OD1-N 3.42Å; N184-D369 PolarHBondContact OD1-OD2 2.88Å | ||
| 185 | H | 98.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 74.4 Ų | 74.4 | 6% | 0.06 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -149.7 | 160.6 | -178.1 | 71.5 | 107.4 | 0 | 0 | 0 | 109.9 | R183 L187 E360 D369 | R183-H185 WeakPolarHBondContact CD-O 3.46Å; R183-H185 WeakPolarHBondContact CG-O 3.27Å; H185-L187 VanDerWaalsContact C-N 3.34Å; H185-L187 PolarHBondContact O-N 3.28Å; H185-E360 IonicContact NE2-OE1 3.08Å; H185-D369 WeakPolarHBondContact CB-O 3.32Å |
| 186 | H | 98.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 77.9 Ų | 77.9 | 26% | 0.255 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 49.6 | 51.9 | 174.3 | -65.6 | 66.3 | 0 | 0 | 0 | 113.3 | L300 N303 T371 | H186-L300 PolarHBondContact N-O 3.22Å; H186-N303 PolarHBondContact CE1-OD1 3.46Å; H186-N303 VanDerWaalsContact CE1-OD1 3.26Å; H186-T371 PolarHBondContact NE2-OG1 3.38Å |
| 187 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 138.7 | -179.6 | -60.1 | -171.1 | 0 | 0 | 0 | 110.3 | L170 L173 M174 Y177 R183 H185 L300 Y301 | L170-L187 HydrophobicContact CB-CB 4.45Å; L170-L187 HydrophobicContact CB-CD1 4.13Å; L170-L187 HydrophobicContact CD1-CB 4.27Å; L170-L187 HydrophobicContact CD2-CB 4.43Å; L170-L187 WeakPolarHBondContact O-CD1 3.37Å; L173-L187 HydrophobicContact CB-CD1 4.32Å; L173-L187 HydrophobicContact CD2-CB 4.28Å; L173-L187 HydrophobicContact CD2-CD1 4.47Å; L173-L187 HydrophobicContact CG-CD1 4.37Å; M174-L187 HydrophobicContact CB-CD1 3.88Å; M174-L187 HydrophobicContact SD-CD1 4.25Å; Y177-L187 HydrophobicContact CD2-CD2 3.75Å; Y177-L187 HydrophobicContact CE2-CD2 3.91Å; R183-L187 HydrophobicContact CB-CD2 4.29Å; R183-L187 HydrophobicContact CG-CD2 4.1Å; H185-L187 VanDerWaalsContact C-N 3.34Å; H185-L187 PolarHBondContact O-N 3.28Å; L187-L300 HydrophobicContact CD1-CB 4.27Å; L187-L300 HydrophobicContact CD1-CD2 4.34Å; L187-L300 PolarHBondContact N-O 2.76Å; L187-Y301 WeakPolarHBondContact O-CD2 3.12Å |
| 188 | P | 97.6 | Very high | 96.8 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 144.3 | -176.6 | 28.9 | -35.1 | 0 | 0 | 0 | 111.7 | L173 | L173-P188 HydrophobicContact CD2-CG 4.26Š|
| 189 | L | 97.9 | Very high | 97.1 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 154.6 | 168.3 | -54.4 | -174.1 | 0 | 0 | 0 | 110.4 | P168 L170 W193 I205 F297 Y301 | P168-L189 HydrophobicContact CB-CD2 4.17Å; P168-L189 HydrophobicContact CG-CD2 4.17Å; L170-L189 HydrophobicContact CD1-CD2 4.16Å; L170-L189 HydrophobicContact CD2-CD2 4.17Å; L189-W193 HydrophobicContact CB-CB 4.16Å; L189-W193 HydrophobicContact CB-CG 3.86Å; L189-W193 HydrophobicContact CD1-CD2 3.62Å; L189-W193 HydrophobicContact CD1-CE3 4.21Å; L189-W193 HydrophobicContact CD1-CG 3.8Å; L189-W193 HydrophobicContact CD1-CZ2 4.15Å; L189-W193 HydrophobicContact CG-CG 4.46Å; L189-I205 HydrophobicContact CD1-CG2 4.19Å; L189-F297 HydrophobicContact CD1-CZ 4.34Å; L189-F297 HydrophobicContact CD2-CE2 3.55Å; L189-F297 HydrophobicContact CD2-CZ 3.89Å; L189-Y301 HydrophobicContact CD1-CD2 4.46Å; L189-Y301 HydrophobicContact CD1-CE1 4.08Å; L189-Y301 HydrophobicContact CD1-CE2 3.81Å; L189-Y301 HydrophobicContact CD2-CD2 3.49Å; L189-Y301 VanDerWaalsContact CD2-CD2 3.49Å; L189-Y301 HydrophobicContact CD2-CE2 3.53Å; L189-Y301 HydrophobicContact CD2-CG 4.13Å; L189-Y301 HydrophobicContact CG-CD2 3.89Å; L189-Y301 HydrophobicContact CG-CE1 4.48Å; L189-Y301 HydrophobicContact CG-CE2 3.34Å |
| 190 | P | 95.5 | Very high | 97.3 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 143 | 167.5 | -21.3 | 32.1 | 0 | 0 | 0 | 111.6 | N192 W193 | P190-N192 PolarHBondContact O-N 3.18Å; P190-W193 VanDerWaalsContact O-CB 3.28Å; P190-W193 WeakPolarHBondContact O-CB 3.46Å; P190-W193 PolarHBondContact O-N 2.92Å |
| 191 | D | 95.9 | Very high | 97.5 | Very high | 168 Ų | 168 | 57.2 Ų | 57.2 | 90% | 0.898 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -33.2 | -176.1 | -65.8 | -21.1 | 0 | 0 | 0 | 113.8 | ||
| 192 | N | 96.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 52.5 Ų | 52.5 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 26.8 | -179.6 | 69 | -37.4 | 0 | 0 | 0 | 113.4 | P190 E194 Q195 Q196 | P190-N192 PolarHBondContact O-N 3.18Å; N192-E194 VanDerWaalsContact C-N 3.28Å; N192-E194 PolarHBondContact O-N 3.28Å; N192-Q195 PolarHBondContact O-N 3.2Å; N192-Q195 PolarHBondContact O-OE1 3.42Å; N192-Q196 PolarHBondContact ND2-NE2 3.3Å; N192-Q196 WeakPolarHBondContact O-CG 3.27Å; N192-Q196 PolarHBondContact OD1-NE2 3.39Å |
| 193 | W | 97.5 | Very high | 97.9 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -60.4 | -36.1 | -177.7 | 73.7 | -87.2 | 0 | 0 | 0 | 112.7 | P168 L189 P190 Q195 Q196 V197 L202 I205 K206 | P168-W193 HydrophobicContact CG-CB 4.45Å; L189-W193 HydrophobicContact CB-CB 4.16Å; L189-W193 HydrophobicContact CB-CG 3.86Å; L189-W193 HydrophobicContact CD1-CD2 3.62Å; L189-W193 HydrophobicContact CD1-CE3 4.21Å; L189-W193 HydrophobicContact CD1-CG 3.8Å; L189-W193 HydrophobicContact CD1-CZ2 4.15Å; L189-W193 HydrophobicContact CG-CG 4.46Å; P190-W193 VanDerWaalsContact O-CB 3.28Å; P190-W193 WeakPolarHBondContact O-CB 3.46Å; P190-W193 PolarHBondContact O-N 2.92Å; W193-Q195 PolarHBondContact O-N 2.63Å; W193-Q196 PolarHBondContact O-N 3.39Å; W193-V197 HydrophobicContact CE3-CG2 4.09Å; W193-V197 HydrophobicContact CZ3-CG2 4.12Å; W193-V197 PolarHBondContact O-N 2.99Å; W193-L202 HydrophobicContact CH2-CD1 3.63Å; W193-L202 HydrophobicContact CZ3-CD1 3.58Å; W193-I205 HydrophobicContact CE3-CD1 3.89Å; W193-I205 HydrophobicContact CE3-CG2 4.32Å; W193-I205 HydrophobicContact CH2-CB 3.83Å; W193-I205 HydrophobicContact CH2-CG2 3.35Å; W193-I205 HydrophobicContact CZ2-CG2 4.05Å; W193-I205 HydrophobicContact CZ3-CB 3.71Å; W193-I205 HydrophobicContact CZ3-CD1 3.59Å; W193-I205 HydrophobicContact CZ3-CG1 4.23Å; W193-I205 HydrophobicContact CZ3-CG2 3.52Å; W193-K206 HydrophobicContact CH2-CG 4.36Å |
| 194 | E | 98 | Very high | 98 | Very high | 85 Ų | 85 | 45 Ų | 45 | 40% | 0.397 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -61.4 | -28 | -179.2 | -66.8 | -167.8 | -137.6 | 0 | 0 | 112.6 | N192 L202 K206 | N192-E194 VanDerWaalsContact C-N 3.28Å; N192-E194 PolarHBondContact O-N 3.28Å; E194-L202 HydrophobicContact CB-CD1 4.05Å; E194-L202 HydrophobicContact CG-CD1 3.84Å; E194-K206 WeakPolarHBondContact OE2-CE 3.31Å; E194-K206 IonicContact OE2-NZ 3.42Å; E194-K206 PolarHBondContact OE2-NZ 3.25Å |
| 195 | Q | 97.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 44.5 Ų | 44.5 | 70% | 0.701 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -88.3 | -5.9 | 176.9 | -57.1 | 87.4 | 13.8 | 0 | 0 | 113.3 | N192 W193 | N192-Q195 PolarHBondContact O-N 3.2Å; N192-Q195 PolarHBondContact O-OE1 3.42Å; W193-Q195 PolarHBondContact O-N 2.63Å |
| 196 | Q | 97.9 | Very high | 98.1 | Very high | 94 Ų | 94 | 47.5 Ų | 47.5 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -5.8 | -176.7 | -67.3 | 179.7 | 23.2 | 0 | 0 | 113.7 | N192 W193 | N192-Q196 PolarHBondContact ND2-NE2 3.3Å; N192-Q196 WeakPolarHBondContact O-CG 3.27Å; N192-Q196 PolarHBondContact OD1-NE2 3.39Å; W193-Q196 PolarHBondContact O-N 3.39Å |
| 197 | V | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.097 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -116.5 | 153.9 | -175.2 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | N166 W193 T201 L202 I205 | N166-V197 WeakPolarHBondContact O-CG1 3.5Å; N166-V197 VanDerWaalsContact OD1-CA 3.26Å; N166-V197 WeakPolarHBondContact OD1-CA 3.34Å; N166-V197 WeakPolarHBondContact OD1-CB 3.25Å; W193-V197 HydrophobicContact CE3-CG2 4.09Å; W193-V197 HydrophobicContact CZ3-CG2 4.12Å; W193-V197 PolarHBondContact O-N 2.99Å; V197-T201 HydrophobicContact CB-CG2 3.81Å; V197-T201 HydrophobicContact CG1-CG2 3.94Å; V197-L202 HydrophobicContact CG2-CB 3.88Å; V197-L202 HydrophobicContact CG2-CD1 4.24Å; V197-I205 HydrophobicContact CG1-CD1 4.46Å |
| 198 | E | 98.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -70.7 | 156.2 | 173.6 | -72.3 | -59 | 116.7 | 0 | 0 | 110.7 | N157 R159 I161 L163 N166 E200 T201 L202 | N157-E198 WeakPolarHBondContact ND2-CG 3.09Å; N157-E198 PolarHBondContact ND2-OE2 2.7Å; R159-E198 WeakPolarHBondContact CD-OE2 3.47Å; R159-E198 IonicContact CZ-OE2 3.13Å; R159-E198 IonicContact NE-OE2 3.72Å; R159-E198 IonicContact NH1-OE1 3.61Å; R159-E198 PolarHBondContact NH1-OE1 2.98Å; R159-E198 IonicContact NH1-OE2 3.21Å; R159-E198 PolarHBondContact NH1-OE2 3.19Å; I161-E198 HydrophobicContact CB-CG 3.85Å; I161-E198 HydrophobicContact CG1-CG 4.05Å; I161-E198 HydrophobicContact CG2-CG 3.78Å; L163-E198 HydrophobicContact CD2-CB 3.83Å; L163-E198 HydrophobicContact CD2-CG 4.24Å; N166-E198 PolarHBondContact OD1-N 3.17Å; E198-E200 PolarHBondContact O-N 3.49Å; E198-T201 PolarHBondContact O-N 3.41Å; E198-T201 VanDerWaalsContact O-N 3.09Å; E198-L202 WeakPolarHBondContact O-CB 3.13Å; E198-L202 PolarHBondContact O-N 3.33Å | ||
| 199 | P | 98.9 | Very high | 98.1 | Very high | 35 Ų | 35 | 46.4 Ų | 46.4 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -31.4 | -175.6 | 24.4 | -33.9 | 0 | 0 | 0 | 113.1 | V59 A203 | V59-P199 HydrophobicContact CB-CG 4.28Å; V59-P199 HydrophobicContact CG2-CG 3.36Å; P199-A203 VanDerWaalsContact O-CB 3.31Å; P199-A203 WeakPolarHBondContact O-CB 3.49Å; P199-A203 PolarHBondContact O-N 3.12Å |
| 200 | E | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 173.8 | -59.8 | 80.6 | -172.6 | 0 | 0 | 111.3 | S58 V59 L64 M133 N157 L163 E198 A203 V204 | S58-E200 WeakPolarHBondContact CA-OE1 3.16Å; S58-E200 VanDerWaalsContact CB-OE1 3.26Å; S58-E200 WeakPolarHBondContact CB-OE1 3.31Å; V59-E200 PolarHBondContact N-OE1 2.82Å; L64-E200 HydrophobicContact CD1-CG 4.42Å; L64-E200 HydrophobicContact CD2-CB 4.13Å; L64-E200 HydrophobicContact CD2-CG 4.32Å; M133-E200 HydrophobicContact CE-CB 4.47Å; M133-E200 WeakPolarHBondContact O-CG 3.45Å; N157-E200 PolarHBondContact ND2-OE2 3.31Å; L163-E200 HydrophobicContact CD1-CB 3.72Å; L163-E200 HydrophobicContact CD1-CG 4.06Å; L163-E200 HydrophobicContact CD2-CB 4.19Å; E198-E200 PolarHBondContact O-N 3.49Å; E200-A203 PolarHBondContact O-N 2.75Å; E200-V204 WeakPolarHBondContact O-CG2 3.18Å; E200-V204 PolarHBondContact O-N 3.37Å |
| 201 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.6 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | N166 F167 V197 E198 V204 I205 | N166-T201 VanDerWaalsContact OD1-CB 3.27Å; N166-T201 WeakPolarHBondContact OD1-CB 3.38Å; N166-T201 PolarHBondContact OD1-OG1 3.03Å; F167-T201 HydrophobicContact CD1-CG2 3.98Å; F167-T201 HydrophobicContact CD2-CG2 3.94Å; F167-T201 HydrophobicContact CE1-CG2 3.97Å; F167-T201 HydrophobicContact CE2-CG2 3.91Å; F167-T201 HydrophobicContact CG-CG2 3.96Å; F167-T201 HydrophobicContact CZ-CG2 3.93Å; V197-T201 HydrophobicContact CB-CG2 3.81Å; V197-T201 HydrophobicContact CG1-CG2 3.94Å; E198-T201 PolarHBondContact O-N 3.41Å; E198-T201 VanDerWaalsContact O-N 3.09Å; T201-V204 PolarHBondContact O-N 2.78Å; T201-I205 HydrophobicContact CG2-CD1 3.84Å; T201-I205 HydrophobicContact CG2-CG1 4.38Å; T201-I205 VanDerWaalsContact O-CG1 3.3Å; T201-I205 WeakPolarHBondContact O-CG1 3.42Å; T201-I205 PolarHBondContact O-N 3.46Å |
| 202 | L | 98.9 | Very high | 98.4 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 174 | -179.2 | 61.7 | 0 | 0 | 0 | 111.7 | W193 E194 V197 E198 V204 I205 K206 | W193-L202 HydrophobicContact CH2-CD1 3.63Å; W193-L202 HydrophobicContact CZ3-CD1 3.58Å; E194-L202 HydrophobicContact CB-CD1 4.05Å; E194-L202 HydrophobicContact CG-CD1 3.84Å; V197-L202 HydrophobicContact CG2-CB 3.88Å; V197-L202 HydrophobicContact CG2-CD1 4.24Å; E198-L202 WeakPolarHBondContact O-CB 3.13Å; E198-L202 PolarHBondContact O-N 3.33Å; L202-V204 VanDerWaalsContact C-N 3.32Å; L202-V204 PolarHBondContact O-N 2.88Å; L202-I205 PolarHBondContact O-N 3.01Å; L202-K206 HydrophobicContact CD1-CD 4.25Å; L202-K206 HydrophobicContact CG-CD 4.39Å; L202-K206 WeakPolarHBondContact O-CG 3.23Å; L202-K206 PolarHBondContact O-N 2.92Å |
| 203 | A | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I55 L64 P199 E200 K206 W207 | I55-A203 HydrophobicContact CD1-CB 4.4Å; I55-A203 HydrophobicContact CG1-CB 4.26Å; I55-A203 WeakPolarHBondContact O-CB 3.38Å; L64-A203 HydrophobicContact CD2-CB 4.2Å; P199-A203 VanDerWaalsContact O-CB 3.31Å; P199-A203 WeakPolarHBondContact O-CB 3.49Å; P199-A203 PolarHBondContact O-N 3.12Å; E200-A203 PolarHBondContact O-N 2.75Å; A203-K206 PolarHBondContact O-N 2.9Å; A203-W207 VanDerWaalsContact O-CB 3.31Å; A203-W207 WeakPolarHBondContact O-CB 3.42Å; A203-W207 PolarHBondContact O-N 2.04Å |
| 204 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 179.1 | 170 | 0 | 0 | 0 | 0 | 112.3 | I55 L130 M133 F167 E200 T201 L202 K206 W207 M208 M294 | I55-V204 HydrophobicContact CD1-CG2 3.82Å; L130-V204 HydrophobicContact CD2-CG2 4.23Å; M133-V204 HydrophobicContact CE-CB 4.13Å; M133-V204 HydrophobicContact CE-CG2 3.77Å; M133-V204 HydrophobicContact CG-CG2 4Å; M133-V204 HydrophobicContact SD-CG2 3.95Å; F167-V204 HydrophobicContact CE1-CG1 4.22Å; F167-V204 HydrophobicContact CZ-CB 4.45Å; F167-V204 HydrophobicContact CZ-CG1 4Å; E200-V204 WeakPolarHBondContact O-CG2 3.18Å; E200-V204 PolarHBondContact O-N 3.37Å; T201-V204 PolarHBondContact O-N 2.78Å; L202-V204 VanDerWaalsContact C-N 3.32Å; L202-V204 PolarHBondContact O-N 2.88Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 2.92Å; V204-W207 WeakPolarHBondContact O-CB 3.26Å; V204-W207 PolarHBondContact O-N 3.46Å; V204-M208 HydrophobicContact CG1-CE 3.51Å; V204-M208 HydrophobicContact CG1-SD 4.2Å; V204-M208 VanDerWaalsContact O-CG 3.3Å; V204-M208 WeakPolarHBondContact O-CG 3.49Å; V204-M208 PolarHBondContact O-N 3.07Å; V204-M294 HydrophobicContact CG1-SD 3.85Å |
| 205 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 176.1 | -66.6 | 171.2 | 0 | 0 | 0 | 110.7 | F167 P168 L189 W193 V197 T201 L202 W207 M208 Q209 F297 Y301 | F167-I205 HydrophobicContact CD1-CD1 3.95Å; F167-I205 HydrophobicContact CD1-CG1 3.86Å; F167-I205 HydrophobicContact CE1-CD1 4.25Å; F167-I205 HydrophobicContact CE1-CG1 3.72Å; P168-I205 HydrophobicContact CG-CD1 4.41Å; L189-I205 HydrophobicContact CD1-CG2 4.19Å; W193-I205 HydrophobicContact CE3-CD1 3.89Å; W193-I205 HydrophobicContact CE3-CG2 4.32Å; W193-I205 HydrophobicContact CH2-CB 3.83Å; W193-I205 HydrophobicContact CH2-CG2 3.35Å; W193-I205 HydrophobicContact CZ2-CG2 4.05Å; W193-I205 HydrophobicContact CZ3-CB 3.71Å; W193-I205 HydrophobicContact CZ3-CD1 3.59Å; W193-I205 HydrophobicContact CZ3-CG1 4.23Å; W193-I205 HydrophobicContact CZ3-CG2 3.52Å; V197-I205 HydrophobicContact CG1-CD1 4.46Å; T201-I205 HydrophobicContact CG2-CD1 3.84Å; T201-I205 HydrophobicContact CG2-CG1 4.38Å; T201-I205 VanDerWaalsContact O-CG1 3.3Å; T201-I205 WeakPolarHBondContact O-CG1 3.42Å; T201-I205 PolarHBondContact O-N 3.46Å; L202-I205 PolarHBondContact O-N 3.01Å; I205-W207 VanDerWaalsContact C-N 3.31Å; I205-W207 PolarHBondContact O-N 2.98Å; I205-M208 WeakPolarHBondContact O-CB 3.45Å; I205-M208 PolarHBondContact O-N 2.72Å; I205-Q209 WeakPolarHBondContact O-CG 3.47Å; I205-Q209 PolarHBondContact O-N 2.93Å; I205-Q209 VanDerWaalsContact O-N 3.15Å; I205-F297 HydrophobicContact CB-CE1 4.45Å; I205-F297 HydrophobicContact CB-CZ 4.47Å; I205-F297 HydrophobicContact CD1-CE1 4.32Å; I205-F297 HydrophobicContact CD1-CE2 4.33Å; I205-F297 HydrophobicContact CD1-CZ 3.9Å; I205-F297 HydrophobicContact CG1-CE1 3.74Å; I205-F297 HydrophobicContact CG1-CZ 3.78Å; I205-F297 HydrophobicContact CG2-CE1 4.19Å; I205-F297 HydrophobicContact CG2-CZ 3.91Å; I205-Y301 HydrophobicContact CG2-CE1 4.34Å |
| 206 | K | 98.8 | Very high | 98.7 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 33% | 0.33 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 175.7 | -74 | -176.9 | 175.1 | 175.2 | 0 | 112 | W193 E194 L202 A203 V204 Q209 N210 | W193-K206 HydrophobicContact CH2-CG 4.36Å; E194-K206 WeakPolarHBondContact OE2-CE 3.31Å; E194-K206 IonicContact OE2-NZ 3.42Å; E194-K206 PolarHBondContact OE2-NZ 3.25Å; L202-K206 HydrophobicContact CD1-CD 4.25Å; L202-K206 HydrophobicContact CG-CD 4.39Å; L202-K206 WeakPolarHBondContact O-CG 3.23Å; L202-K206 PolarHBondContact O-N 2.92Å; A203-K206 PolarHBondContact O-N 2.9Å; V204-K206 VanDerWaalsContact C-N 3.34Å; V204-K206 PolarHBondContact O-N 2.92Å; K206-Q209 WeakPolarHBondContact O-CB 3.32Å; K206-Q209 PolarHBondContact O-N 3.27Å; K206-N210 PolarHBondContact O-N 3.3Å; K206-N210 PolarHBondContact O-ND2 3.48Å |
| 207 | W | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.9 | 177.6 | 43.4 | 0 | 0 | 0 | 112.3 | Y53 I55 V66 K84 V86 H128 L130 A203 V204 I205 Q209 N210 Y211 F213 | Y53-W207 PolarHBondContact OH-NE1 3.45Å; I55-W207 HydrophobicContact CB-CB 4.16Å; I55-W207 HydrophobicContact CB-CG 4.39Å; I55-W207 HydrophobicContact CD1-CB 4.28Å; I55-W207 HydrophobicContact CD1-CD2 4.34Å; I55-W207 HydrophobicContact CD1-CE3 4.09Å; I55-W207 HydrophobicContact CD1-CG 4.45Å; I55-W207 HydrophobicContact CG2-CB 3.85Å; I55-W207 HydrophobicContact CG2-CD2 4.06Å; I55-W207 HydrophobicContact CG2-CG 3.58Å; V66-W207 HydrophobicContact CG1-CZ2 4.24Å; V66-W207 HydrophobicContact CG2-CZ2 4.42Å; K84-W207 HydrophobicContact CB-CH2 3.64Å; K84-W207 HydrophobicContact CB-CZ2 4.03Å; K84-W207 HydrophobicContact CD-CE3 4.3Å; K84-W207 HydrophobicContact CD-CH2 3.45Å; K84-W207 VanDerWaalsContact CD-CH2 3.45Å; K84-W207 HydrophobicContact CD-CZ2 4.03Å; K84-W207 HydrophobicContact CD-CZ3 3.59Å; K84-W207 HydrophobicContact CG-CH2 4.15Å; V86-W207 HydrophobicContact CG2-CH2 4.32Å; V86-W207 HydrophobicContact CG2-CZ3 3.86Å; H128-W207 HydrophobicContact CB-CH2 4.34Å; H128-W207 HydrophobicContact CB-CZ2 3.62Å; L130-W207 HydrophobicContact CB-CH2 4.4Å; L130-W207 HydrophobicContact CB-CZ3 4.47Å; L130-W207 HydrophobicContact CD2-CZ3 4.16Å; A203-W207 VanDerWaalsContact O-CB 3.31Å; A203-W207 WeakPolarHBondContact O-CB 3.42Å; A203-W207 PolarHBondContact O-N 2.04Å; V204-W207 WeakPolarHBondContact O-CB 3.26Å; V204-W207 PolarHBondContact O-N 3.46Å; I205-W207 VanDerWaalsContact C-N 3.31Å; I205-W207 PolarHBondContact O-N 2.98Å; W207-Q209 PolarHBondContact O-N 2.86Å; W207-N210 PolarHBondContact O-N 2.94Å; W207-N210 VanDerWaalsContact O-N 3.08Å; W207-Y211 AromaticContact CD1-CD2 3.48Å; W207-Y211 VanDerWaalsContact CD1-CD2 3.48Å; W207-Y211 AromaticContact CD1-CE2 3.59Å; W207-Y211 AromaticContact NE1-CD2 3.48Å; W207-Y211 AromaticContact NE1-CE2 3.61Å; W207-Y211 PolarHBondContact O-N 2.92Å; W207-F213 HydrophobicContact CD2-CE2 4.02Å; W207-F213 HydrophobicContact CD2-CZ 4.25Å; W207-F213 AromaticContact CE2-CE2 3.61Å; W207-F213 AromaticContact CE2-CZ 3.37Å; W207-F213 HydrophobicContact CG-CE2 4.39Å; W207-F213 HydrophobicContact CH2-CZ 4.19Å; W207-F213 HydrophobicContact CZ2-CE1 4.13Å; W207-F213 AromaticContact CZ2-CE2 3.87Å; W207-F213 HydrophobicContact CZ2-CE2 3.87Å; W207-F213 AromaticContact CZ2-CZ 3.32Å; W207-F213 HydrophobicContact CZ2-CZ 3.32Å; W207-F213 AromaticContact NE1-CE2 3.69Å; W207-F213 AromaticContact NE1-CZ 3.41Å |
| 208 | M | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.034 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -25.4 | 173.6 | -69.2 | 169.7 | 176.4 | 0 | 0 | 113.5 | V204 I205 Y211 M294 F297 N298 T302 | V204-M208 HydrophobicContact CG1-CE 3.51Å; V204-M208 HydrophobicContact CG1-SD 4.2Å; V204-M208 VanDerWaalsContact O-CG 3.3Å; V204-M208 WeakPolarHBondContact O-CG 3.49Å; V204-M208 PolarHBondContact O-N 3.07Å; I205-M208 WeakPolarHBondContact O-CB 3.45Å; I205-M208 PolarHBondContact O-N 2.72Å; M208-Y211 VanDerWaalsContact O-O 3.12Å; M208-M294 HydrophobicContact CE-CG 3.81Å; M208-M294 HydrophobicContact CE-SD 4.07Å; M208-F297 HydrophobicContact SD-CD1 3.91Å; M208-F297 HydrophobicContact SD-CE1 3.92Å; M208-N298 WeakPolarHBondContact CE-ND2 3.26Å; M208-N298 WeakPolarHBondContact CE-OD1 3.48Å; M208-T302 HydrophobicContact CB-CG2 4.2Å |
| 209 | Q | 97.9 | Very high | 98.7 | Very high | 88 Ų | 88 | 22 Ų | 22 | 41% | 0.411 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -81.1 | -22.3 | 175.3 | -69.3 | 168.1 | -20 | 0 | 0 | 113.1 | I205 K206 W207 Y301 | I205-Q209 WeakPolarHBondContact O-CG 3.47Å; I205-Q209 PolarHBondContact O-N 2.93Å; I205-Q209 VanDerWaalsContact O-N 3.15Å; K206-Q209 WeakPolarHBondContact O-CB 3.32Å; K206-Q209 PolarHBondContact O-N 3.27Å; W207-Q209 PolarHBondContact O-N 2.86Å; Q209-Y301 HydrophobicContact CG-CE1 3.92Å; Q209-Y301 PolarHBondContact NE2-OH 2.91Å |
| 210 | N | 97.4 | Very high | 98.7 | Very high | 122 Ų | 122 | 20.5 Ų | 20.5 | 65% | 0.652 | 10% | 0.101 | S | C | * | . | H | α-helix | trans | -87.4 | -20 | -174.7 | -70.5 | -21.4 | 0 | 0 | 0 | 113.4 | K206 W207 | K206-N210 PolarHBondContact O-N 3.3Å; K206-N210 PolarHBondContact O-ND2 3.48Å; W207-N210 PolarHBondContact O-N 2.94Å; W207-N210 VanDerWaalsContact O-N 3.08Å |
| 211 | Y | 98.3 | Very high | 98.7 | Very high | 36 Ų | 36 | 20.6 Ų | 20.6 | 14% | 0.141 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -130.3 | 141.7 | -178.3 | -64.6 | -90.7 | 0 | 0 | 0 | 109.9 | R51 H128 W207 M208 F213 | R51-Y211 PolarHBondContact NH2-OH 2.97Å; H128-Y211 AromaticContact CE1-CD1 3.86Å; H128-Y211 AromaticContact CE1-CE1 3.45Å; H128-Y211 VanDerWaalsContact CE1-CE1 3.45Å; H128-Y211 WeakPolarHBondContact CE1-CE1 3.37Å; H128-Y211 AromaticContact CE1-CZ 3.76Å; H128-Y211 AromaticContact NE2-CD1 3.78Å; H128-Y211 AromaticContact NE2-CE1 3.78Å; W207-Y211 AromaticContact CD1-CD2 3.48Å; W207-Y211 VanDerWaalsContact CD1-CD2 3.48Å; W207-Y211 AromaticContact CD1-CE2 3.59Å; W207-Y211 AromaticContact NE1-CD2 3.48Å; W207-Y211 AromaticContact NE1-CE2 3.61Å; W207-Y211 PolarHBondContact O-N 2.92Å; M208-Y211 VanDerWaalsContact O-O 3.12Å; Y211-F213 HydrophobicContact CD2-CE2 4.22Å; Y211-F213 HydrophobicContact CD2-CZ 4.08Å; Y211-F213 HydrophobicContact CG-CE2 4.17Å; Y211-F213 AromaticContact CG-CZ 3.91Å; Y211-F213 HydrophobicContact CG-CZ 3.91Å; Y211-F213 PolarHBondContact O-N 3.17Å |
| 212 | N | 98.5 | Very high | 98.6 | Very high | 34 Ų | 34 | 21.5 Ų | 21.5 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | trans | -83.6 | 64.3 | 176.3 | -172.6 | 24.5 | 0 | 0 | 0 | 111 | V214 N303 | N212-V214 PolarHBondContact O-N 3.45Å; N212-N303 PolarHBondContact OD1-ND2 3.4Å | ||
| 213 | F | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 132 | 179.9 | -70.2 | -62.1 | 0 | 0 | 0 | 111.7 | E82 K84 H128 W207 Y211 N303 C304 | E82-F213 HydrophobicContact CB-CD1 3.9Å; E82-F213 HydrophobicContact CB-CE1 4.29Å; E82-F213 WeakPolarHBondContact O-CA 3.45Å; K84-F213 HydrophobicContact CB-CD1 3.87Å; K84-F213 HydrophobicContact CB-CE1 3.67Å; K84-F213 HydrophobicContact CB-CZ 4.17Å; K84-F213 HydrophobicContact CD-CD1 3.92Å; K84-F213 HydrophobicContact CD-CD2 3.63Å; K84-F213 HydrophobicContact CD-CE1 4.01Å; K84-F213 HydrophobicContact CD-CE2 3.69Å; K84-F213 HydrophobicContact CD-CG 3.75Å; K84-F213 HydrophobicContact CD-CZ 3.91Å; K84-F213 HydrophobicContact CG-CD1 3.75Å; K84-F213 HydrophobicContact CG-CD2 4.36Å; K84-F213 HydrophobicContact CG-CE1 3.99Å; K84-F213 HydrophobicContact CG-CG 3.97Å; K84-F213 HydrophobicContact CG-CZ 4.39Å; H128-F213 HydrophobicContact CB-CE1 4.14Å; H128-F213 HydrophobicContact CB-CZ 4.36Å; H128-F213 AromaticContact CD2-CE1 3.58Å; H128-F213 AromaticContact CG-CE1 3.94Å; W207-F213 HydrophobicContact CD2-CE2 4.02Å; W207-F213 HydrophobicContact CD2-CZ 4.25Å; W207-F213 AromaticContact CE2-CE2 3.61Å; W207-F213 AromaticContact CE2-CZ 3.37Å; W207-F213 HydrophobicContact CG-CE2 4.39Å; W207-F213 HydrophobicContact CH2-CZ 4.19Å; W207-F213 HydrophobicContact CZ2-CE1 4.13Å; W207-F213 AromaticContact CZ2-CE2 3.87Å; W207-F213 HydrophobicContact CZ2-CE2 3.87Å; W207-F213 AromaticContact CZ2-CZ 3.32Å; W207-F213 HydrophobicContact CZ2-CZ 3.32Å; W207-F213 AromaticContact NE1-CE2 3.69Å; W207-F213 AromaticContact NE1-CZ 3.41Å; Y211-F213 HydrophobicContact CD2-CE2 4.22Å; Y211-F213 HydrophobicContact CD2-CZ 4.08Å; Y211-F213 HydrophobicContact CG-CE2 4.17Å; Y211-F213 AromaticContact CG-CZ 3.91Å; Y211-F213 HydrophobicContact CG-CZ 3.91Å; Y211-F213 PolarHBondContact O-N 3.17Å; F213-N303 CarbonylContact O-C 3.45Å; F213-C304 HydrophobicContact CB-CB 3.8Å; F213-C304 WeakPolarHBondContact O-CA 3.41Å; F213-C304 VanDerWaalsContact O-CB 3.27Å; F213-C304 WeakPolarHBondContact O-CB 3.43Å; F213-C304 PolarHBondContact O-N 3.37Å |
| 214 | V | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -48 | -178.5 | -179 | 0 | 0 | 0 | 0 | 110.6 | P81 E82 N212 F305 V340 F379 L381 | P81-V214 HydrophobicContact CB-CB 4.44Å; P81-V214 HydrophobicContact CB-CG2 3.96Å; E82-V214 PolarHBondContact O-N 2.96Å; N212-V214 PolarHBondContact O-N 3.45Å; V214-F305 PolarHBondContact O-N 3.22Å; V214-V340 HydrophobicContact CB-CG2 3.76Å; V214-V340 HydrophobicContact CG1-CG2 3.86Å; V214-F379 HydrophobicContact CB-CB 4.32Å; V214-F379 HydrophobicContact CG1-CB 3.71Å; V214-F379 HydrophobicContact CG1-CG 4.41Å; V214-F379 HydrophobicContact CG2-CB 3.58Å; V214-F379 HydrophobicContact CG2-CD1 4.3Å; V214-F379 HydrophobicContact CG2-CD2 3.46Å; V214-F379 VanDerWaalsContact CG2-CD2 3.46Å; V214-F379 HydrophobicContact CG2-CE2 4.22Å; V214-F379 HydrophobicContact CG2-CG 3.51Å; V214-L381 HydrophobicContact CG1-CD1 4.38Å; V214-L381 HydrophobicContact CG1-CD2 4.06Å; V214-L381 HydrophobicContact CG1-CG 4.07Å |
| 215 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.4 | -176.9 | -175.5 | 68.2 | 0 | 0 | 0 | 110.2 | F83 K84 L256 F305 Y336 Q339 V340 L381 | F83-L215 HydrophobicContact CD2-CB 3.92Å; F83-L215 HydrophobicContact CD2-CD2 4.15Å; F83-L215 HydrophobicContact CD2-CG 4.11Å; F83-L215 WeakPolarHBondContact CD2-O 3.46Å; F83-L215 HydrophobicContact CE2-CB 4.22Å; F83-L215 HydrophobicContact CE2-CD2 3.93Å; F83-L215 HydrophobicContact CE2-CG 3.9Å; K84-L215 PolarHBondContact N-O 2.85Å; K84-L215 VanDerWaalsContact N-O 3.14Å; L215-L256 HydrophobicContact CD1-CD1 3.75Å; L215-L256 HydrophobicContact CD1-CD2 3.95Å; L215-L256 HydrophobicContact CD1-CG 4.45Å; L215-L256 HydrophobicContact CD2-CD2 4.29Å; L215-F305 CarbonylContact C-O 3.58Å; L215-F305 WeakPolarHBondContact CA-O 3.37Å; L215-F305 HydrophobicContact CD1-CB 4.3Å; L215-Y336 HydrophobicContact CD1-CE1 4.36Å; L215-Y336 WeakPolarHBondContact CD1-OH 3.4Å; L215-Y336 HydrophobicContact CD2-CD1 4.49Å; L215-Y336 HydrophobicContact CD2-CE1 4.03Å; L215-Y336 WeakPolarHBondContact CD2-O 3.2Å; L215-Y336 HydrophobicContact CG-CE1 3.95Å; L215-Q339 HydrophobicContact CD2-CB 3.8Å; L215-V340 HydrophobicContact CB-CB 4.1Å; L215-V340 HydrophobicContact CB-CG2 3.83Å; L215-V340 HydrophobicContact CD2-CB 4.13Å; L215-L381 HydrophobicContact CB-CD1 4.34Å; L215-L381 HydrophobicContact CD1-CD1 3.92Å |
| 216 | S | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.5 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 112.9 | K84 C304 F305 E306 I307 Y336 | K84-S216 WeakPolarHBondContact CG-OG 3.49Å; K84-S216 VanDerWaalsContact NZ-CB 3.29Å; K84-S216 PolarHBondContact NZ-OG 3.21Å; K84-S216 WeakPolarHBondContact O-CA 3.43Å; K84-S216 PolarHBondContact O-OG 3Å; S216-C304 WeakPolarHBondContact CB-SG 3.34Å; S216-F305 PolarHBondContact N-O 3.27Å; S216-E306 WeakPolarHBondContact CB-OE2 3.39Å; S216-E306 VanDerWaalsContact O-CA 3.25Å; S216-E306 WeakPolarHBondContact O-CA 3.17Å; S216-E306 PolarHBondContact OG-OE2 3.47Å; S216-I307 PolarHBondContact O-N 3.33Å; S216-I307 VanDerWaalsContact O-N 3.13Å; S216-Y336 PolarHBondContact O-OH 2.89Å |
| 217 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K84 Y85 V86 I307 L309 Y336 | K84-A217 PolarHBondContact O-N 2.79Å; Y85-A217 WeakPolarHBondContact CA-O 3.39Å; Y85-A217 HydrophobicContact CD1-CB 3.77Å; Y85-A217 HydrophobicContact CE1-CB 3.5Å; V86-A217 PolarHBondContact N-O 3.3Å; A217-I307 VanDerWaalsContact CA-O 3.25Å; A217-I307 WeakPolarHBondContact CA-O 3.45Å; A217-I307 HydrophobicContact CB-CG1 4.01Å; A217-L309 HydrophobicContact CB-CD1 3.6Å; A217-L309 HydrophobicContact CB-CG 4.02Å; A217-Y336 HydrophobicContact CB-CD1 4.4Å; A217-Y336 HydrophobicContact CB-CE1 3.77Å |
| 218 | N | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.2 | 168.1 | 71.4 | 72.1 | 0 | 0 | 0 | 110 | V86 H220 M294 E306 I307 T308 L309 | V86-N218 HydrophobicContact CB-CB 4.38Å; V86-N218 CarbonylContact O-C 3.25Å; V86-N218 VanDerWaalsContact O-CA 3.22Å; V86-N218 WeakPolarHBondContact O-CA 3.49Å; N218-H220 PolarHBondContact OD1-CD2 2.84Å; N218-H220 PolarHBondContact OD1-NE2 3.05Å; N218-M294 HydrophobicContact CB-CE 3.36Å; N218-E306 PolarHBondContact ND2-OE1 3.24Å; N218-I307 PolarHBondContact N-O 3.05Å; N218-I307 PolarHBondContact ND2-O 3.27Å; N218-T308 PolarHBondContact ND2-OG1 3.47Å; N218-T308 VanDerWaalsContact ND2-OG1 3.12Å; N218-T308 CarbonylContact O-C 3.45Å; N218-T308 WeakPolarHBondContact O-CA 2.99Å; N218-T308 WeakPolarHBondContact OD1-CG2 3.45Å; N218-T308 PolarHBondContact OD1-OG1 3.43Å; N218-L309 PolarHBondContact O-N 3.15Å |
| 219 | L | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.4 | -168.2 | -70.7 | 68.5 | 0 | 0 | 0 | 110.6 | Y85 V86 L100 L311 L333 | Y85-L219 HydrophobicContact CD1-CD1 3.59Å; Y85-L219 HydrophobicContact CE1-CD1 4.17Å; Y85-L219 HydrophobicContact CG-CD1 4.34Å; V86-L219 PolarHBondContact O-N 2.82Å; L100-L219 HydrophobicContact CD1-CD1 4.45Å; L100-L219 HydrophobicContact CD1-CD2 4.3Å; L100-L219 HydrophobicContact CD2-CD2 4.03Å; L100-L219 HydrophobicContact CG-CD2 3.97Å; L219-L311 HydrophobicContact CB-CD1 3.92Å; L219-L311 HydrophobicContact CD2-CD1 3.74Å; L219-L311 HydrophobicContact CG-CD1 3.91Å; L219-L333 HydrophobicContact CD2-CD2 4.35Å |
| 220 | H | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 1% | 0.014 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 173.6 | -172.8 | -79.3 | -92.8 | 0 | 0 | 0 | 112.5 | M89 H90 E93 N218 T308 L309 E310 L311 | M89-H220 VanDerWaalsContact CG-CE1 3.42Å; M89-H220 WeakPolarHBondContact CG-CE1 3.19Å; M89-H220 PolarHBondContact SD-CE1 2.93Å; M89-H220 PolarHBondContact SD-NE2 3.18Å; H90-H220 AromaticContact CE1-CE1 3.31Å; H90-H220 PolarHBondContact CE1-CE1 3.31Å; H90-H220 AromaticContact CE1-ND1 3.58Å; H90-H220 AromaticContact ND1-CE1 3.33Å; H90-H220 PolarHBondContact ND1-CE1 3.19Å; H90-H220 VanDerWaalsContact ND1-CE1 3.33Å; H90-H220 AromaticContact ND1-ND1 3.27Å; H90-H220 PolarHBondContact ND1-ND1 2.92Å; E93-H220 IonicContact OE2-CE1 3.39Å; E93-H220 IonicContact OE2-CG 3.94Å; E93-H220 IonicContact OE2-ND1 3.16Å; E93-H220 PolarHBondContact OE2-ND1 3.39Å; N218-H220 PolarHBondContact OD1-CD2 2.84Å; N218-H220 PolarHBondContact OD1-NE2 3.05Å; H220-T308 HydrophobicContact CB-CG2 4.45Å; H220-L309 PolarHBondContact N-O 2.98Å; H220-E310 VanDerWaalsContact CB-CD 3.42Å; H220-E310 HydrophobicContact CB-CG 4.36Å; H220-E310 VanDerWaalsContact CB-OE2 3.28Å; H220-E310 WeakPolarHBondContact CB-OE2 3.36Å; H220-L311 PolarHBondContact O-N 3.36Å |
| 221 | G | 97.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.01 | 4% | 0.035 | C | C | . | . | trans | -143.7 | 155.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | E93 E310 K315 | E93-G221 WeakPolarHBondContact CG-O 3.44Å; E93-G221 PolarHBondContact OE2-N 3.43Å; G221-E310 WeakPolarHBondContact CA-OE2 3.45Å; G221-E310 PolarHBondContact N-OE2 2.81Å; G221-K315 VanDerWaalsContact O-CE 3.23Å; G221-K315 WeakPolarHBondContact O-CE 3.18Å | ||
| 222 | G | 96.4 | Very high | 98.6 | Very high | 19 Ų | 19 | 6.3 Ų | 6.3 | 20% | 0.196 | 4% | 0.036 | C | C | . | . | S | Bend | trans | 125.7 | -13.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S312 | G222-S312 PolarHBondContact N-O 2.89Š|
| 223 | A | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -148.2 | -178.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | V225 W287 E310 L311 S312 | A223-V225 HydrophobicContact CB-CG1 4.25Å; A223-W287 HydrophobicContact CB-CH2 3.71Å; A223-W287 HydrophobicContact CB-CZ2 3.94Å; A223-E310 HydrophobicContact CB-CB 3.93Å; A223-E310 HydrophobicContact CB-CG 4.16Å; A223-E310 CarbonylContact O-C 3.55Å; A223-E310 VanDerWaalsContact O-C 3.3Å; A223-E310 WeakPolarHBondContact O-CB 3.44Å; A223-L311 PolarHBondContact O-N 3.08Å; A223-S312 PolarHBondContact N-O 2.93Å; A223-S312 CarbonylContact O-C 3.57Å; A223-S312 VanDerWaalsContact O-C 3.28Å; A223-S312 PolarHBondContact O-N 3.45Å; A223-S312 VanDerWaalsContact O-N 3.14Å; A223-S312 VanDerWaalsContact O-O 3.12Å |
| 224 | V | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 9.6 Ų | 9.6 | 2% | 0.018 | 5% | 0.047 | C | C | . | . | trans | -131 | 92.2 | 169.3 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | M267 N272 E310 | V224-M267 HydrophobicContact CG1-CB 3.94Å; V224-M267 HydrophobicContact CG1-CE 4.04Å; V224-M267 HydrophobicContact CG1-CG 4.05Å; V224-N272 HydrophobicContact CB-CB 3.64Å; V224-N272 HydrophobicContact CG1-CB 4.48Å; V224-N272 HydrophobicContact CG2-CB 3.99Å; V224-E310 VanDerWaalsContact CA-O 3.29Å; V224-E310 WeakPolarHBondContact CA-O 3.32Å | ||
| 225 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 144.7 | -175.2 | 63.1 | 0 | 0 | 0 | 0 | 111.2 | A223 F277 G280 T282 W287 E310 | A223-V225 HydrophobicContact CB-CG1 4.25Å; V225-F277 HydrophobicContact CB-CB 4.46Å; V225-F277 HydrophobicContact CB-CD2 3.59Å; V225-F277 HydrophobicContact CB-CE2 3.89Å; V225-F277 HydrophobicContact CB-CG 3.99Å; V225-F277 HydrophobicContact CG1-CD2 4.11Å; V225-F277 HydrophobicContact CG1-CE2 3.88Å; V225-F277 HydrophobicContact CG1-CZ 4.22Å; V225-F277 HydrophobicContact CG2-CB 3.77Å; V225-F277 HydrophobicContact CG2-CD1 3.95Å; V225-F277 HydrophobicContact CG2-CD2 3.7Å; V225-F277 HydrophobicContact CG2-CE1 4.47Å; V225-F277 HydrophobicContact CG2-CE2 4.24Å; V225-F277 HydrophobicContact CG2-CG 3.52Å; V225-G280 WeakPolarHBondContact CA-O 3.43Å; V225-G280 WeakPolarHBondContact CG2-O 3.41Å; V225-T282 HydrophobicContact CG1-CG2 4.29Å; V225-T282 HydrophobicContact CG2-CG2 3.67Å; V225-W287 HydrophobicContact CG1-CE3 4.48Å; V225-W287 HydrophobicContact CG1-CH2 4.36Å; V225-W287 HydrophobicContact CG1-CZ3 4.09Å; V225-E310 HydrophobicContact CG1-CB 3.95Å; V225-E310 HydrophobicContact CG1-CG 4.01Å; V225-E310 PolarHBondContact N-O 2.97Å; V225-E310 VanDerWaalsContact N-O 3.08Å; V225-E310 WeakPolarHBondContact O-CB 3.32Å; V225-E310 PolarHBondContact O-N 3.22Å |
| 226 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 103.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | A257 M267 G280 I281 T282 L309 | A226-A257 HydrophobicContact CB-CB 3.8Å; A226-M267 HydrophobicContact CB-SD 3.95Å; A226-M267 PolarHBondContact N-SD 2.82Å; A226-M267 VanDerWaalsContact N-SD 3.38Å; A226-G280 PolarHBondContact N-O 3.13Å; A226-I281 HydrophobicContact CB-CG2 4.26Å; A226-I281 CarbonylContact O-C 3.58Å; A226-I281 VanDerWaalsContact O-CA 3.28Å; A226-I281 WeakPolarHBondContact O-CA 3.34Å; A226-T282 PolarHBondContact O-N 3.42Å; A226-L309 HydrophobicContact CB-CD2 3.83Å |
| 227 | N | 98.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.032 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 134.1 | 179.2 | 177.4 | 96.4 | 0 | 0 | 0 | 110.8 | D231 T282 G284 Q295 I307 T308 | N227-D231 PolarHBondContact ND2-OD1 3.28Å; N227-T282 CarbonylContact C-O 3.58Å; N227-T282 VanDerWaalsContact CA-O 3.29Å; N227-T282 WeakPolarHBondContact CA-O 3.24Å; N227-T282 HydrophobicContact CB-CG2 4.1Å; N227-G284 WeakPolarHBondContact OD1-CA 3.46Å; N227-G284 PolarHBondContact OD1-N 3.45Å; N227-Q295 PolarHBondContact ND2-OE1 2.87Å; N227-Q295 PolarHBondContact O-OE1 3.37Å; N227-Q295 VanDerWaalsContact O-OE1 3.06Å; N227-I307 WeakPolarHBondContact O-CB 3.49Å; N227-T308 WeakPolarHBondContact CA-O 3.38Å; N227-T308 HydrophobicContact CB-CG2 4.36Å; N227-T308 WeakPolarHBondContact CB-O 3.47Å; N227-T308 PolarHBondContact N-O 3.13Å; N227-T308 PolarHBondContact O-N 3.49Å; N227-T308 VanDerWaalsContact O-O 3.12Å |
| 228 | Y | 98.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 158.3 | -178.8 | 61.5 | -94.8 | 0 | 0 | 0 | 113.3 | Y244 F253 R254 A257 I281 T282 N283 G284 | Y228-Y244 WeakPolarHBondContact CE2-OH 3.23Å; Y228-Y244 PolarHBondContact OH-OH 3.14Å; Y228-F253 HydrophobicContact CD2-CB 4Å; Y228-F253 HydrophobicContact CG-CB 4.26Å; Y228-R254 HydrophobicContact CE1-CG 4.01Å; Y228-R254 HydrophobicContact CE2-CG 3.76Å; Y228-R254 VanDerWaalsContact CZ-CG 3.48Å; Y228-R254 WeakPolarHBondContact OH-CG 3.33Å; Y228-A257 HydrophobicContact CD1-CB 3.76Å; Y228-A257 HydrophobicContact CG-CB 4.5Å; Y228-I281 HydrophobicContact CE1-CB 4.15Å; Y228-I281 HydrophobicContact CE1-CD1 4.12Å; Y228-I281 HydrophobicContact CE1-CG1 4.12Å; Y228-T282 WeakPolarHBondContact CD1-O 3.31Å; Y228-T282 VanDerWaalsContact CE1-O 3.23Å; Y228-T282 WeakPolarHBondContact CE1-O 3.39Å; Y228-T282 PolarHBondContact N-O 3.28Å; Y228-N283 HydrophobicContact CD2-CB 4.4Å; Y228-N283 HydrophobicContact CE2-CB 3.74Å; Y228-N283 WeakPolarHBondContact O-CA 3.4Å; Y228-G284 PolarHBondContact O-N 2.77Å |
| 229 | P | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -55.8 | 156.2 | -178 | -33 | 38.7 | 0 | 0 | 0 | 116.1 | T247 F253 N283 Q295 E306 | P229-T247 HydrophobicContact CB-CG2 3.42Å; P229-T247 VanDerWaalsContact CB-CG2 3.42Å; P229-F253 HydrophobicContact CB-CE2 4.46Å; P229-F253 HydrophobicContact CB-CZ 4.44Å; P229-F253 HydrophobicContact CG-CD1 4.23Å; P229-F253 HydrophobicContact CG-CE1 3.82Å; P229-F253 HydrophobicContact CG-CE2 4.36Å; P229-F253 HydrophobicContact CG-CZ 3.88Å; P229-N283 VanDerWaalsContact C-ND2 3.26Å; P229-N283 PolarHBondContact O-ND2 2.98Å; P229-Q295 HydrophobicContact CG-CG 3.84Å; P229-E306 WeakPolarHBondContact CD-O 3.36Å |
| 230 | F | 98.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | cis | -81.8 | 144.7 | -11.3 | -71 | -62.6 | 0 | 0 | 0 | 112.1 | N171 M174 Y175 S245 A246 T247 N283 A285 D296 Y299 L300 | N171-F230 WeakPolarHBondContact ND2-CD1 3.32Å; M174-F230 HydrophobicContact CG-CZ 4.28Å; Y175-F230 AromaticContact CE1-CD2 3.91Å; Y175-F230 HydrophobicContact CE1-CD2 3.91Å; Y175-F230 HydrophobicContact CE1-CE2 4.03Å; Y175-F230 HydrophobicContact CE1-CG 4.45Å; Y175-F230 WeakPolarHBondContact OH-CB 3.45Å; F230-S245 WeakPolarHBondContact CB-O 3.23Å; F230-S245 PolarHBondContact N-O 3.32Å; F230-A246 WeakPolarHBondContact CD2-O 3.47Å; F230-T247 HydrophobicContact CD1-CG2 4.02Å; F230-T247 HydrophobicContact CD2-CG2 3.7Å; F230-T247 HydrophobicContact CE1-CG2 3.96Å; F230-T247 HydrophobicContact CE2-CG2 3.65Å; F230-T247 HydrophobicContact CG-CG2 3.89Å; F230-T247 HydrophobicContact CZ-CG2 3.78Å; F230-N283 PolarHBondContact N-ND2 3.33Å; F230-N283 VanDerWaalsContact N-ND2 3.13Å; F230-N283 PolarHBondContact O-ND2 2.74Å; F230-N283 VanDerWaalsContact O-ND2 3.1Å; F230-A285 WeakPolarHBondContact O-CB 3.46Å; F230-A285 PolarHBondContact O-N 3.41Å; F230-D296 WeakPolarHBondContact CA-OD1 3.42Å; F230-D296 HydrophobicContact CD1-CB 4.24Å; F230-D296 WeakPolarHBondContact CD1-OD2 3.46Å; F230-Y299 AromaticContact CE1-CD1 3.77Å; F230-Y299 HydrophobicContact CE1-CD1 3.77Å; F230-Y299 HydrophobicContact CE1-CE1 4.17Å; F230-Y299 AromaticContact CZ-CD1 3.96Å; F230-Y299 HydrophobicContact CZ-CD1 3.96Å; F230-Y299 AromaticContact CZ-CE1 3.88Å; F230-Y299 HydrophobicContact CZ-CE1 3.88Å; F230-L300 HydrophobicContact CE1-CD1 3.99Å; F230-L300 HydrophobicContact CE1-CD2 3.74Å; F230-L300 HydrophobicContact CE1-CG 3.94Å; F230-L300 HydrophobicContact CZ-CD2 3.85Å | ||
| 231 | D | 98.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | trans | -73.4 | -34.8 | 168.9 | -77.7 | -18 | 0 | 0 | 0 | 112 | N227 A285 S289 L290 Q295 D296 | N227-D231 PolarHBondContact ND2-OD1 3.28Å; D231-A285 VanDerWaalsContact O-CA 3.31Å; D231-A285 WeakPolarHBondContact O-CA 3.13Å; D231-A285 PolarHBondContact O-N 3.09Å; D231-S289 WeakPolarHBondContact O-CA 3.46Å; D231-L290 CarbonylContact C-O 3.28Å; D231-L290 VanDerWaalsContact C-O 3.25Å; D231-L290 HydrophobicContact CB-CB 4.12Å; D231-L290 HydrophobicContact CB-CD2 4.07Å; D231-L290 PolarHBondContact O-N 3.16Å; D231-Q295 PolarHBondContact OD1-NE2 2.89Å; D231-Q295 PolarHBondContact OD2-NE2 3.32Å; D231-D296 VanDerWaalsContact N-CG 3.3Å; D231-D296 PolarHBondContact N-OD1 3.05Å; D231-D296 PolarHBondContact N-OD2 3.11Å | ||
| 232 | K | 97.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -85.1 | 131.4 | 178.7 | -160.6 | -174.9 | -177.8 | 174 | 0 | 111.2 | D169 N171 S172 Y175 S245 L290 D296 | D169-K232 IonicContact OD1-NZ 3.7Å; D169-K232 PolarHBondContact OD1-NZ 3.15Å; D169-K232 IonicContact OD2-NZ 3.86Å; D169-K232 PolarHBondContact OD2-NZ 3.05Å; N171-K232 HydrophobicContact CB-CB 3.92Å; N171-K232 HydrophobicContact CB-CD 3.52Å; N171-K232 HydrophobicContact CB-CG 4.35Å; S172-K232 PolarHBondContact OG-NZ 3.05Å; Y175-K232 HydrophobicContact CE2-CD 4.43Å; Y175-K232 PolarHBondContact OH-O 2.94Å; K232-S245 VanDerWaalsContact O-CB 3.27Å; K232-S245 WeakPolarHBondContact O-CB 3.47Å; K232-S245 PolarHBondContact O-OG 3.07Å; K232-L290 WeakPolarHBondContact CA-O 3.22Å; K232-L290 WeakPolarHBondContact CB-O 3.25Å; K232-L290 PolarHBondContact N-O 3.3Å; K232-L290 VanDerWaalsContact N-O 3.12Å; K232-D296 PolarHBondContact N-OD2 3.14Å |
| 233 | S | 95.2 | Very high | 91.3 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | trans | -71.7 | 143.7 | 168.8 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | D235 T243 S289 | S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 PolarHBondContact OG-N 3.4Å; S233-T243 PolarHBondContact OG-OG1 3.18Å; S233-S289 PolarHBondContact N-OG 3.43Å | ||
| 234 | R | 93.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 65.4 Ų | 65.4 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -69.2 | -25.3 | 168.6 | -72.8 | 179.2 | 176.5 | 84 | -9.5 | 112.4 | Y175 E178 S245 A246 | Y175-R234 HydrophobicContact CD1-CG 3.8Å; Y175-R234 HydrophobicContact CD2-CB 4.41Å; Y175-R234 HydrophobicContact CD2-CG 3.8Å; Y175-R234 HydrophobicContact CE1-CG 3.79Å; Y175-R234 HydrophobicContact CE2-CB 4.43Å; Y175-R234 HydrophobicContact CE2-CG 3.76Å; Y175-R234 HydrophobicContact CG-CG 3.83Å; E178-R234 VanDerWaalsContact CD-NH2 3.3Å; E178-R234 IonicContact OE1-CZ 3.65Å; E178-R234 IonicContact OE1-NH2 3.74Å; E178-R234 PolarHBondContact OE1-NH2 3.04Å; E178-R234 IonicContact OE2-CZ 2.88Å; E178-R234 IonicContact OE2-NE 3.93Å; E178-R234 PolarHBondContact OE2-NE 2.83Å; E178-R234 IonicContact OE2-NH2 3.03Å; E178-R234 PolarHBondContact OE2-NH2 2.84Å; R234-S245 VanDerWaalsContact NH1-C 3.33Å; R234-S245 PolarHBondContact NH1-OG 3.15Å; R234-A246 VanDerWaalsContact CZ-O 3.3Å; R234-A246 PolarHBondContact NH1-O 3.34Å; R234-A246 PolarHBondContact NH2-O 3.48Å |
| 235 | D | 88.1 | Confident | 91.1 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -86.2 | 153.6 | -179.8 | -62.1 | -48.9 | 0 | 0 | 0 | 111.3 | S233 R237 T243 | S233-D235 VanDerWaalsContact C-N 3.25Å; S233-D235 PolarHBondContact OG-N 3.4Å; D235-R237 PolarHBondContact O-N 3.02Å; D235-T243 WeakPolarHBondContact OD2-CB 3.27Å; D235-T243 VanDerWaalsContact OD2-CG2 3.28Å; D235-T243 WeakPolarHBondContact OD2-CG2 3.47Å; D235-T243 PolarHBondContact OD2-OG1 2.78Å |
| 236 | A | 81.2 | Confident | 91.1 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 71% | 0.711 | 33% | 0.334 | S | S | * | . | trans | -58.7 | 139.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | I238 | A236-I238 PolarHBondContact O-N 3.18Š| ||
| 237 | R | 74.9 | Confident | 91.1 | Very high | 223 Ų | 223 | 67.3 Ų | 67.3 | 84% | 0.842 | 34% | 0.337 | S | S | * | . | trans | -64.3 | 104.9 | 179.4 | -171.4 | 178.7 | -177.4 | -178.1 | 1.6 | 109.8 | D235 | D235-R237 PolarHBondContact O-N 3.02Š| ||
| 238 | I | 78 | Confident | 91 | Very high | 97 Ų | 97 | 69.1 Ų | 69.1 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | trans | -104.1 | 127.5 | 171.3 | -62.6 | 170 | 0 | 0 | 0 | 107.5 | A236 G240 R241 | A236-I238 PolarHBondContact O-N 3.18Å; I238-G240 PolarHBondContact O-N 3.14Å; I238-R241 HydrophobicContact CB-CB 4.24Å; I238-R241 HydrophobicContact CG2-CB 4.42Å; I238-R241 PolarHBondContact O-N 3.21Å | ||
| 239 | R | 76.1 | Confident | 91 | Very high | 254 Ų | 254 | 69 Ų | 69 | 96% | 0.958 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 128.1 | -177.8 | -171.8 | 178.6 | -178.6 | 177.5 | 0.5 | 110.3 | R241 | R239-R241 VanDerWaalsContact C-N 3.3Å; R239-R241 PolarHBondContact O-N 3.31Å |
| 240 | G | 75.8 | Confident | 91 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 91% | 0.907 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I238 | I238-G240 PolarHBondContact O-N 3.14Š|
| 241 | R | 83.4 | Confident | 91 | Very high | 164 Ų | 164 | 77.8 Ų | 77.8 | 62% | 0.619 | 39% | 0.392 | S | S | * | . | trans | -114.8 | 125.4 | 174.3 | -170.7 | 175.2 | 178.1 | 177.8 | -2.1 | 110.1 | I238 R239 T243 | I238-R241 HydrophobicContact CB-CB 4.24Å; I238-R241 HydrophobicContact CG2-CB 4.42Å; I238-R241 PolarHBondContact O-N 3.21Å; R239-R241 VanDerWaalsContact C-N 3.3Å; R239-R241 PolarHBondContact O-N 3.31Å; R241-T243 HydrophobicContact CG-CG2 4.35Å | ||
| 242 | T | 90.8 | Very high | 91 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | trans | -113.6 | 149.4 | 171.2 | 62.6 | 0 | 0 | 0 | 0 | 108.3 | S286 W287 | T242-S286 WeakPolarHBondContact CB-O 3.22Å; T242-S286 PolarHBondContact OG1-O 3.15Å; T242-W287 VanDerWaalsContact CG2-O 3.26Å; T242-W287 WeakPolarHBondContact CG2-O 3.48Å | ||
| 243 | T | 93.9 | Very high | 91.1 | Very high | 26 Ų | 26 | 76.4 Ų | 76.4 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | trans | -140.2 | 135.9 | 179.5 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | S233 D235 R241 S245 A285 S286 | S233-T243 PolarHBondContact OG-OG1 3.18Å; D235-T243 WeakPolarHBondContact OD2-CB 3.27Å; D235-T243 VanDerWaalsContact OD2-CG2 3.28Å; D235-T243 WeakPolarHBondContact OD2-CG2 3.47Å; D235-T243 PolarHBondContact OD2-OG1 2.78Å; R241-T243 HydrophobicContact CG-CG2 4.35Å; T243-S245 PolarHBondContact O-N 3.46Å; T243-A285 PolarHBondContact N-O 2.95Å; T243-A285 CarbonylContact O-C 3.46Å; T243-A285 VanDerWaalsContact O-CB 3.3Å; T243-A285 WeakPolarHBondContact O-CB 3.39Å; T243-S286 PolarHBondContact O-N 3.25Å | ||
| 244 | Y | 96.9 | Very high | 91.3 | Very high | 104 Ų | 104 | 80 Ų | 80 | 41% | 0.408 | 40% | 0.397 | S | S | . | . | trans | -62.2 | 129.2 | 177.1 | -165.1 | -87.1 | 0 | 0 | 0 | 110.4 | Y228 A246 D250 N283 | Y228-Y244 WeakPolarHBondContact CE2-OH 3.23Å; Y228-Y244 PolarHBondContact OH-OH 3.14Å; Y244-A246 HydrophobicContact CD1-CB 4.12Å; Y244-A246 HydrophobicContact CE1-CB 3.73Å; Y244-D250 WeakPolarHBondContact CE1-OD1 3.49Å; Y244-D250 VanDerWaalsContact CZ-OD1 3.31Å; Y244-D250 VanDerWaalsContact OH-CG 3.28Å; Y244-D250 PolarHBondContact OH-OD1 2.82Å; Y244-D250 PolarHBondContact OH-OD2 2.98Å; Y244-N283 HydrophobicContact CD2-CB 3.59Å; Y244-N283 HydrophobicContact CE2-CB 3.28Å; Y244-N283 HydrophobicContact CG-CB 4.36Å | ||
| 245 | S | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -124.1 | 82.2 | -178.1 | -162.2 | 0 | 0 | 0 | 0 | 109.9 | Y175 F230 K232 R234 T243 N283 A285 | Y175-S245 PolarHBondContact OH-OG 2.9Å; F230-S245 WeakPolarHBondContact CB-O 3.23Å; F230-S245 PolarHBondContact N-O 3.32Å; K232-S245 VanDerWaalsContact O-CB 3.27Å; K232-S245 WeakPolarHBondContact O-CB 3.47Å; K232-S245 PolarHBondContact O-OG 3.07Å; R234-S245 VanDerWaalsContact NH1-C 3.33Å; R234-S245 PolarHBondContact NH1-OG 3.15Å; T243-S245 PolarHBondContact O-N 3.46Å; S245-N283 PolarHBondContact N-OD1 3.09Å; S245-N283 PolarHBondContact O-ND2 3.46Å; S245-N283 VanDerWaalsContact O-ND2 3.12Å; S245-A285 VanDerWaalsContact CB-CB 3.43Å | ||
| 246 | A | 97.9 | Very high | 92.1 | Very high | 33 Ų | 33 | 75 Ų | 75 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | trans | -61.7 | 145.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F230 R234 Y244 D250 | F230-A246 WeakPolarHBondContact CD2-O 3.47Å; R234-A246 VanDerWaalsContact CZ-O 3.3Å; R234-A246 PolarHBondContact NH1-O 3.34Å; R234-A246 PolarHBondContact NH2-O 3.48Å; Y244-A246 HydrophobicContact CD1-CB 4.12Å; Y244-A246 HydrophobicContact CE1-CB 3.73Å; A246-D250 HydrophobicContact CB-CB 4.2Å | ||
| 247 | T | 98.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | trans | -86.7 | 173.1 | 161.4 | 66.4 | 0 | 0 | 0 | 0 | 110.9 | P229 F230 D249 D250 F253 Y299 | P229-T247 HydrophobicContact CB-CG2 3.42Å; P229-T247 VanDerWaalsContact CB-CG2 3.42Å; F230-T247 HydrophobicContact CD1-CG2 4.02Å; F230-T247 HydrophobicContact CD2-CG2 3.7Å; F230-T247 HydrophobicContact CE1-CG2 3.96Å; F230-T247 HydrophobicContact CE2-CG2 3.65Å; F230-T247 HydrophobicContact CG-CG2 3.89Å; F230-T247 HydrophobicContact CZ-CG2 3.78Å; T247-D249 PolarHBondContact O-N 2.76Å; T247-D249 VanDerWaalsContact OG1-C 3.27Å; T247-D249 PolarHBondContact OG1-N 3.01Å; T247-D250 PolarHBondContact O-N 2.98Å; T247-D250 PolarHBondContact OG1-N 2.89Å; T247-F253 HydrophobicContact CG2-CD2 4.3Å; T247-F253 HydrophobicContact CG2-CE2 4.2Å; T247-F253 WeakPolarHBondContact OG1-CD2 3.21Å; T247-Y299 HydrophobicContact CG2-CD1 4.26Å; T247-Y299 HydrophobicContact CG2-CE1 3.88Å | ||
| 248 | A | 98.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 63 Ų | 63 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -27.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112 | I366 N367 H368 | A248-I366 HydrophobicContact CB-CG2 4.07Å; A248-N367 HydrophobicContact CB-CB 4.39Å; A248-N367 WeakPolarHBondContact CB-O 3.4Å; A248-H368 HydrophobicContact CB-CB 3.89Å |
| 249 | D | 98.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 22.7 | 179.9 | -73.4 | -73.5 | 0 | 0 | 0 | 113.3 | T247 K251 I252 F253 Y299 F305 I366 H368 R380 | T247-D249 PolarHBondContact O-N 2.76Å; T247-D249 VanDerWaalsContact OG1-C 3.27Å; T247-D249 PolarHBondContact OG1-N 3.01Å; D249-K251 VanDerWaalsContact C-N 3.25Å; D249-K251 PolarHBondContact O-N 2.77Å; D249-K251 VanDerWaalsContact O-N 3.1Å; D249-I252 HydrophobicContact CB-CG2 3.68Å; D249-I252 WeakPolarHBondContact O-CG2 3.33Å; D249-I252 PolarHBondContact O-N 3.13Å; D249-F253 HydrophobicContact CB-CD2 3.93Å; D249-F253 HydrophobicContact CB-CE2 3.96Å; D249-F253 WeakPolarHBondContact O-CD2 3.27Å; D249-F253 PolarHBondContact O-N 3.01Å; D249-Y299 HydrophobicContact CB-CE2 4.22Å; D249-Y299 WeakPolarHBondContact CB-OH 3.24Å; D249-Y299 PolarHBondContact N-OH 2.98Å; D249-Y299 PolarHBondContact OD2-OH 3.18Å; D249-F305 HydrophobicContact CB-CE2 3.76Å; D249-F305 HydrophobicContact CB-CZ 4.09Å; D249-I366 WeakPolarHBondContact OD1-CG2 3.47Å; D249-H368 WeakPolarHBondContact OD2-CB 3.43Å; D249-H368 IonicContact OD2-CD2 3.94Å; D249-H368 PolarHBondContact OD2-CD2 3.35Å; D249-H368 VanDerWaalsContact OD2-CD2 3.31Å; D249-H368 IonicContact OD2-CG 3.57Å; D249-R380 IonicContact OD1-CZ 3.83Å; D249-R380 IonicContact OD1-NH2 2.99Å; D249-R380 PolarHBondContact OD1-NH2 3.44Å; D249-R380 IonicContact OD2-CZ 3.47Å; D249-R380 IonicContact OD2-NH2 2.74Å; D249-R380 PolarHBondContact OD2-NH2 3.28Å |
| 250 | D | 98.8 | Very high | 96.1 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -50.8 | -42.5 | -173.5 | -177.3 | 83.9 | 0 | 0 | 0 | 113.5 | Y244 A246 T247 I252 F253 R254 | Y244-D250 WeakPolarHBondContact CE1-OD1 3.49Å; Y244-D250 VanDerWaalsContact CZ-OD1 3.31Å; Y244-D250 VanDerWaalsContact OH-CG 3.28Å; Y244-D250 PolarHBondContact OH-OD1 2.82Å; Y244-D250 PolarHBondContact OH-OD2 2.98Å; A246-D250 HydrophobicContact CB-CB 4.2Å; T247-D250 PolarHBondContact O-N 2.98Å; T247-D250 PolarHBondContact OG1-N 2.89Å; D250-I252 PolarHBondContact O-N 3.1Å; D250-F253 PolarHBondContact O-N 3.23Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 VanDerWaalsContact O-CG 3.28Å; D250-R254 WeakPolarHBondContact O-CG 3.49Å; D250-R254 PolarHBondContact O-N 3.19Å; D250-R254 VanDerWaalsContact OD2-CD 3.32Å; D250-R254 WeakPolarHBondContact OD2-CD 3.5Å |
| 251 | K | 98.7 | Very high | 97.2 | Very high | 162 Ų | 162 | 43 Ų | 43 | 70% | 0.704 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.5 | -42.7 | -179 | -65.9 | -178.5 | -179.2 | 175.9 | 0 | 112.2 | D249 Q255 L383 | D249-K251 VanDerWaalsContact C-N 3.25Å; D249-K251 PolarHBondContact O-N 2.77Å; D249-K251 VanDerWaalsContact O-N 3.1Å; K251-Q255 PolarHBondContact O-N 3.03Å; K251-L383 HydrophobicContact CB-CD1 3.75Å |
| 252 | I | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -77.1 | -36.3 | -179.7 | -171.9 | 160.5 | 0 | 0 | 0 | 111.3 | D249 D250 R254 Q255 L256 F305 L381 L382 L383 | D249-I252 HydrophobicContact CB-CG2 3.68Å; D249-I252 WeakPolarHBondContact O-CG2 3.33Å; D249-I252 PolarHBondContact O-N 3.13Å; D250-I252 PolarHBondContact O-N 3.1Å; I252-R254 VanDerWaalsContact C-N 3.3Å; I252-R254 PolarHBondContact O-N 2.99Å; I252-Q255 CarbonylContact O-C 3.53Å; I252-Q255 WeakPolarHBondContact O-CA 3.46Å; I252-Q255 WeakPolarHBondContact O-CB 3.46Å; I252-Q255 PolarHBondContact O-N 3.24Å; I252-L256 HydrophobicContact CG1-CD1 4.31Å; I252-L256 HydrophobicContact CG1-CG 4.25Å; I252-L256 VanDerWaalsContact O-CG 3.31Å; I252-L256 WeakPolarHBondContact O-CG 3.06Å; I252-L256 PolarHBondContact O-N 3.29Å; I252-F305 HydrophobicContact CG2-CD2 4.41Å; I252-F305 HydrophobicContact CG2-CE2 3.94Å; I252-L381 HydrophobicContact CD1-CB 3.5Å; I252-L381 VanDerWaalsContact CD1-CB 3.5Å; I252-L382 VanDerWaalsContact CD1-N 3.3Å; I252-L383 HydrophobicContact CB-CD2 4.36Å; I252-L383 HydrophobicContact CB-CG 4.12Å; I252-L383 HydrophobicContact CG1-CD2 4.21Å; I252-L383 HydrophobicContact CG1-CG 4.42Å |
| 253 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -41.8 | 171.9 | -85.7 | -64.9 | 0 | 0 | 0 | 112.7 | Y228 P229 T247 D249 D250 Q255 L256 A257 Y299 F305 I307 | Y228-F253 HydrophobicContact CD2-CB 4Å; Y228-F253 HydrophobicContact CG-CB 4.26Å; P229-F253 HydrophobicContact CB-CE2 4.46Å; P229-F253 HydrophobicContact CB-CZ 4.44Å; P229-F253 HydrophobicContact CG-CD1 4.23Å; P229-F253 HydrophobicContact CG-CE1 3.82Å; P229-F253 HydrophobicContact CG-CE2 4.36Å; P229-F253 HydrophobicContact CG-CZ 3.88Å; T247-F253 HydrophobicContact CG2-CD2 4.3Å; T247-F253 HydrophobicContact CG2-CE2 4.2Å; T247-F253 WeakPolarHBondContact OG1-CD2 3.21Å; D249-F253 HydrophobicContact CB-CD2 3.93Å; D249-F253 HydrophobicContact CB-CE2 3.96Å; D249-F253 WeakPolarHBondContact O-CD2 3.27Å; D249-F253 PolarHBondContact O-N 3.01Å; D250-F253 PolarHBondContact O-N 3.23Å; F253-Q255 VanDerWaalsContact C-N 3.31Å; F253-Q255 PolarHBondContact O-N 2.95Å; F253-L256 HydrophobicContact CD1-CD1 4.39Å; F253-L256 PolarHBondContact O-N 3.49Å; F253-A257 WeakPolarHBondContact O-CB 3.06Å; F253-A257 PolarHBondContact O-N 2.92Å; F253-Y299 AromaticContact CE2-CD2 3.77Å; F253-Y299 HydrophobicContact CE2-CD2 3.77Å; F253-Y299 AromaticContact CE2-CE2 3.61Å; F253-Y299 HydrophobicContact CE2-CE2 3.61Å; F253-Y299 HydrophobicContact CE2-CG 4.31Å; F253-Y299 AromaticContact CZ-CD2 3.66Å; F253-Y299 HydrophobicContact CZ-CD2 3.66Å; F253-Y299 AromaticContact CZ-CE2 3.98Å; F253-Y299 HydrophobicContact CZ-CE2 3.98Å; F253-Y299 HydrophobicContact CZ-CG 4.16Å; F253-F305 HydrophobicContact CE1-CB 3.91Å; F253-F305 HydrophobicContact CE1-CD2 4.25Å; F253-F305 HydrophobicContact CE1-CG 4.28Å; F253-F305 HydrophobicContact CE2-CD2 4.08Å; F253-F305 HydrophobicContact CE2-CE2 4.36Å; F253-F305 HydrophobicContact CE2-CG 4.45Å; F253-F305 HydrophobicContact CZ-CB 3.91Å; F253-F305 AromaticContact CZ-CD2 3.83Å; F253-F305 HydrophobicContact CZ-CD2 3.83Å; F253-F305 AromaticContact CZ-CG 3.83Å; F253-F305 HydrophobicContact CZ-CG 3.83Å; F253-I307 HydrophobicContact CD1-CG2 3.86Å; F253-I307 HydrophobicContact CE1-CG2 4.27Å |
| 254 | R | 98.9 | Very high | 98.6 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 33% | 0.328 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 173 | -71.9 | 176 | 69.9 | -172.4 | 3.6 | 112.1 | Y228 D250 I252 R258 I281 | Y228-R254 HydrophobicContact CE1-CG 4.01Å; Y228-R254 HydrophobicContact CE2-CG 3.76Å; Y228-R254 VanDerWaalsContact CZ-CG 3.48Å; Y228-R254 WeakPolarHBondContact OH-CG 3.33Å; D250-R254 WeakPolarHBondContact O-CB 3.46Å; D250-R254 VanDerWaalsContact O-CG 3.28Å; D250-R254 WeakPolarHBondContact O-CG 3.49Å; D250-R254 PolarHBondContact O-N 3.19Å; D250-R254 VanDerWaalsContact OD2-CD 3.32Å; D250-R254 WeakPolarHBondContact OD2-CD 3.5Å; I252-R254 VanDerWaalsContact C-N 3.3Å; I252-R254 PolarHBondContact O-N 2.99Å; R254-R258 WeakPolarHBondContact O-CB 3.29Å; R254-R258 VanDerWaalsContact O-CG 3.23Å; R254-R258 WeakPolarHBondContact O-CG 3.47Å; R254-R258 PolarHBondContact O-N 3.12Å; R254-I281 HydrophobicContact CB-CD1 4.48Å |
| 255 | Q | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 35% | 0.35 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.3 | -45.4 | 175.8 | -177 | 59.3 | 31.1 | 0 | 0 | 111.8 | K251 I252 F253 A257 R258 T259 L383 | K251-Q255 PolarHBondContact O-N 3.03Å; I252-Q255 CarbonylContact O-C 3.53Å; I252-Q255 WeakPolarHBondContact O-CA 3.46Å; I252-Q255 WeakPolarHBondContact O-CB 3.46Å; I252-Q255 PolarHBondContact O-N 3.24Å; F253-Q255 VanDerWaalsContact C-N 3.31Å; F253-Q255 PolarHBondContact O-N 2.95Å; Q255-A257 VanDerWaalsContact C-N 3.34Å; Q255-A257 PolarHBondContact O-N 3.23Å; Q255-R258 PolarHBondContact O-N 3.46Å; Q255-T259 PolarHBondContact O-N 3.19Å; Q255-T259 PolarHBondContact O-OG1 2.97Å; Q255-T259 VanDerWaalsContact O-OG1 3.09Å; Q255-L383 HydrophobicContact CB-CD2 3.65Å; Q255-L383 HydrophobicContact CG-CD2 3.72Å |
| 256 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 176.7 | -70 | 172.3 | 0 | 0 | 0 | 111.4 | L215 I252 F253 T259 Y260 F305 Y336 Q339 L381 | L215-L256 HydrophobicContact CD1-CD1 3.75Å; L215-L256 HydrophobicContact CD1-CD2 3.95Å; L215-L256 HydrophobicContact CD1-CG 4.45Å; L215-L256 HydrophobicContact CD2-CD2 4.29Å; I252-L256 HydrophobicContact CG1-CD1 4.31Å; I252-L256 HydrophobicContact CG1-CG 4.25Å; I252-L256 VanDerWaalsContact O-CG 3.31Å; I252-L256 WeakPolarHBondContact O-CG 3.06Å; I252-L256 PolarHBondContact O-N 3.29Å; F253-L256 HydrophobicContact CD1-CD1 4.39Å; F253-L256 PolarHBondContact O-N 3.49Å; L256-T259 PolarHBondContact O-N 3.02Å; L256-Y260 PolarHBondContact O-N 2.86Å; L256-F305 HydrophobicContact CD1-CD2 4.48Å; L256-Y336 HydrophobicContact CB-CE2 4.1Å; L256-Q339 HydrophobicContact CD2-CB 3.52Å; L256-Q339 HydrophobicContact CD2-CG 3.93Å; L256-L381 HydrophobicContact CD1-CD1 4.41Å |
| 257 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A226 Y228 F253 Q255 Y260 S261 I281 | A226-A257 HydrophobicContact CB-CB 3.8Å; Y228-A257 HydrophobicContact CD1-CB 3.76Å; Y228-A257 HydrophobicContact CG-CB 4.5Å; F253-A257 WeakPolarHBondContact O-CB 3.06Å; F253-A257 PolarHBondContact O-N 2.92Å; Q255-A257 VanDerWaalsContact C-N 3.34Å; Q255-A257 PolarHBondContact O-N 3.23Å; A257-Y260 PolarHBondContact O-N 2.83Å; A257-S261 WeakPolarHBondContact O-CB 3.16Å; A257-S261 PolarHBondContact O-N 3.23Å; A257-I281 HydrophobicContact CB-CB 4.03Å; A257-I281 HydrophobicContact CB-CG2 3.71Å |
| 258 | R | 98.9 | Very high | 98.8 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 21% | 0.211 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.3 | -77.4 | 178.9 | -179.6 | 134.6 | -1.3 | 112.2 | R254 Q255 Y260 S261 Y262 E279 I281 | R254-R258 WeakPolarHBondContact O-CB 3.29Å; R254-R258 VanDerWaalsContact O-CG 3.23Å; R254-R258 WeakPolarHBondContact O-CG 3.47Å; R254-R258 PolarHBondContact O-N 3.12Å; Q255-R258 PolarHBondContact O-N 3.46Å; R258-Y260 VanDerWaalsContact C-N 3.27Å; R258-Y260 PolarHBondContact O-N 3.04Å; R258-S261 PolarHBondContact O-N 3.06Å; R258-Y262 HydrophobicContact CB-CD2 3.96Å; R258-Y262 HydrophobicContact CB-CE2 4.22Å; R258-Y262 HydrophobicContact CG-CD2 4.24Å; R258-Y262 HydrophobicContact CG-CE2 4Å; R258-Y262 WeakPolarHBondContact O-CB 3.32Å; R258-Y262 WeakPolarHBondContact O-CD2 3.39Å; R258-Y262 PolarHBondContact O-N 3.16Å; R258-E279 IonicContact CZ-OE1 3.39Å; R258-E279 IonicContact CZ-OE2 3.64Å; R258-E279 IonicContact NE-OE1 3.92Å; R258-E279 PolarHBondContact NE-OE1 2.82Å; R258-E279 IonicContact NE-OE2 2.91Å; R258-E279 PolarHBondContact NE-OE2 3.1Å; R258-E279 IonicContact NH2-OE1 3.64Å; R258-E279 IonicContact NH2-OE2 3.63Å; R258-E279 PolarHBondContact NH2-OE2 2.98Å; R258-I281 HydrophobicContact CG-CD1 3.86Å; R258-I281 HydrophobicContact CG-CG2 4.15Å |
| 259 | T | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 13% | 0.129 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.8 | -47.2 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | Q255 L256 A263 S335 Q339 | Q255-T259 PolarHBondContact O-N 3.19Å; Q255-T259 PolarHBondContact O-OG1 2.97Å; Q255-T259 VanDerWaalsContact O-OG1 3.09Å; L256-T259 PolarHBondContact O-N 3.02Å; T259-A263 WeakPolarHBondContact O-CB 3.29Å; T259-A263 PolarHBondContact O-N 3.08Å; T259-S335 WeakPolarHBondContact CG2-O 3.18Å; T259-Q339 HydrophobicContact CG2-CG 3.72Å |
| 260 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.2 | -51.3 | 175.5 | -164.2 | -81 | 0 | 0 | 0 | 111.7 | L256 A257 R258 Y262 A263 H264 M267 L309 L311 N329 A332 L333 Y336 | L256-Y260 PolarHBondContact O-N 2.86Å; A257-Y260 PolarHBondContact O-N 2.83Å; R258-Y260 VanDerWaalsContact C-N 3.27Å; R258-Y260 PolarHBondContact O-N 3.04Å; Y260-Y262 PolarHBondContact O-N 3.36Å; Y260-A263 PolarHBondContact O-N 3.05Å; Y260-H264 HydrophobicContact CD1-CB 4.39Å; Y260-H264 HydrophobicContact CE1-CB 4.32Å; Y260-H264 WeakPolarHBondContact O-CB 3.47Å; Y260-H264 PolarHBondContact O-N 3.34Å; Y260-M267 HydrophobicContact CD1-CE 4.04Å; Y260-M267 HydrophobicContact CD1-SD 4.02Å; Y260-M267 HydrophobicContact CE1-CE 3.93Å; Y260-L309 HydrophobicContact CD1-CD1 4.3Å; Y260-L309 HydrophobicContact CD1-CD2 3.67Å; Y260-L309 HydrophobicContact CD2-CD1 3.52Å; Y260-L309 HydrophobicContact CD2-CD2 4.03Å; Y260-L309 HydrophobicContact CD2-CG 4.42Å; Y260-L309 HydrophobicContact CE1-CD1 4.2Å; Y260-L309 HydrophobicContact CE1-CD2 4.15Å; Y260-L309 HydrophobicContact CE2-CD1 3.38Å; Y260-L309 HydrophobicContact CE2-CD2 4.48Å; Y260-L309 HydrophobicContact CG-CD1 3.99Å; Y260-L309 HydrophobicContact CG-CD2 3.59Å; Y260-L309 HydrophobicContact CG-CG 4.44Å; Y260-L311 HydrophobicContact CE1-CD2 3.95Å; Y260-L311 WeakPolarHBondContact OH-CD2 3.31Å; Y260-N329 PolarHBondContact OH-OD1 3.45Å; Y260-A332 HydrophobicContact CD1-CB 3.96Å; Y260-A332 HydrophobicContact CD2-CB 3.82Å; Y260-A332 WeakPolarHBondContact CD2-O 3.44Å; Y260-A332 HydrophobicContact CE1-CB 3.84Å; Y260-A332 HydrophobicContact CE2-CB 3.7Å; Y260-A332 HydrophobicContact CG-CB 3.95Å; Y260-A332 WeakPolarHBondContact O-CB 3.19Å; Y260-L333 HydrophobicContact CE2-CD2 3.98Å; Y260-L333 HydrophobicContact CE2-CG 4.18Å; Y260-Y336 HydrophobicContact CD2-CG 4.25Å |
| 261 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -43.1 | -173.3 | 177.2 | 0 | 0 | 0 | 0 | 113.9 | A257 R258 H264 H268 E279 G280 | A257-S261 WeakPolarHBondContact O-CB 3.16Å; A257-S261 PolarHBondContact O-N 3.23Å; R258-S261 PolarHBondContact O-N 3.06Å; S261-H264 PolarHBondContact O-N 3.33Å; S261-H268 WeakPolarHBondContact O-CB 3.4Å; S261-H268 PolarHBondContact O-N 3.37Å; S261-H268 PolarHBondContact O-ND1 3.07Å; S261-H268 VanDerWaalsContact OG-CA 3.25Å; S261-H268 WeakPolarHBondContact OG-CA 3.46Å; S261-H268 PolarHBondContact OG-N 3.33Å; S261-H268 VanDerWaalsContact OG-N 3.16Å; S261-E279 WeakPolarHBondContact CB-O 3.26Å; S261-E279 PolarHBondContact OG-O 3.03Å; S261-G280 WeakPolarHBondContact OG-CA 3.48Å; S261-G280 PolarHBondContact OG-O 3.31Å |
| 262 | Y | 98.9 | Very high | 98.4 | Very high | 122 Ų | 122 | 42.5 Ų | 42.5 | 48% | 0.478 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -78.6 | -28.5 | -180 | -80.6 | -87.2 | 0 | 0 | 0 | 113.3 | R258 Y260 H264 H268 E279 | R258-Y262 HydrophobicContact CB-CD2 3.96Å; R258-Y262 HydrophobicContact CB-CE2 4.22Å; R258-Y262 HydrophobicContact CG-CD2 4.24Å; R258-Y262 HydrophobicContact CG-CE2 4Å; R258-Y262 WeakPolarHBondContact O-CB 3.32Å; R258-Y262 WeakPolarHBondContact O-CD2 3.39Å; R258-Y262 PolarHBondContact O-N 3.16Å; Y260-Y262 PolarHBondContact O-N 3.36Å; Y262-H264 VanDerWaalsContact C-N 3.32Å; Y262-H268 HydrophobicContact CD1-CB 3.85Å; Y262-H268 HydrophobicContact CD2-CB 4.44Å; Y262-H268 HydrophobicContact CE1-CB 4.15Å; Y262-H268 HydrophobicContact CG-CB 4.02Å; Y262-E279 HydrophobicContact CE2-CB 3.99Å; Y262-E279 HydrophobicContact CE2-CG 4.46Å; Y262-E279 WeakPolarHBondContact OH-CG 3.42Å; Y262-E279 PolarHBondContact OH-OE1 2.82Å |
| 263 | A | 98.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.8 | -23.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | T259 Y260 E331 A332 | T259-A263 WeakPolarHBondContact O-CB 3.29Å; T259-A263 PolarHBondContact O-N 3.08Å; Y260-A263 PolarHBondContact O-N 3.05Å; A263-E331 HydrophobicContact CB-CG 4.44Å; A263-A332 HydrophobicContact CB-CB 3.94Å |
| 264 | H | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72.4 | 138.7 | 172.9 | -174.4 | -95.8 | 0 | 0 | 0 | 111 | Y260 S261 Y262 W266 M267 H268 G328 N329 A332 | Y260-H264 HydrophobicContact CD1-CB 4.39Å; Y260-H264 HydrophobicContact CE1-CB 4.32Å; Y260-H264 WeakPolarHBondContact O-CB 3.47Å; Y260-H264 PolarHBondContact O-N 3.34Å; S261-H264 PolarHBondContact O-N 3.33Å; Y262-H264 VanDerWaalsContact C-N 3.32Å; H264-W266 AromaticContact CE1-CD1 3.64Å; H264-W266 AromaticContact CE1-CD2 3.72Å; H264-W266 AromaticContact CE1-CE2 3.39Å; H264-W266 AromaticContact CE1-CG 3.85Å; H264-W266 AromaticContact CE1-CZ2 3.88Å; H264-W266 AromaticContact CE1-NE1 3.37Å; H264-W266 PolarHBondContact CE1-NE1 2.7Å; H264-W266 PolarHBondContact ND1-N 3.06Å; H264-W266 PolarHBondContact O-N 2.89Å; H264-W266 VanDerWaalsContact O-N 3.08Å; H264-M267 HydrophobicContact CB-CB 3.82Å; H264-M267 VanDerWaalsContact ND1-CB 3.31Å; H264-M267 WeakPolarHBondContact ND1-CB 3.36Å; H264-M267 PolarHBondContact ND1-N 2.7Å; H264-H268 PolarHBondContact O-ND1 3.27Å; H264-H268 VanDerWaalsContact O-ND1 3.12Å; H264-G328 PolarHBondContact CD2-O 2.94Å; H264-N329 PolarHBondContact CD2-OD1 3.34Å; H264-N329 PolarHBondContact NE2-ND2 2.91Å; H264-N329 VanDerWaalsContact NE2-ND2 3.16Å; H264-N329 PolarHBondContact NE2-OD1 3.33Å; H264-A332 HydrophobicContact CB-CB 4.07Å |
| 265 | S | 98.5 | Very high | 97.8 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 48% | 0.483 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.6 | -170.4 | -73.5 | 0 | 0 | 0 | 0 | 115 | G328 | S265-G328 PolarHBondContact N-O 2.78Å; S265-G328 VanDerWaalsContact N-O 3.14Å; S265-G328 WeakPolarHBondContact OG-CA 3.49Å |
| 266 | W | 98.5 | Very high | 97.7 | Very high | 42 Ų | 42 | 48 Ų | 48 | 16% | 0.159 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.9 | 4.2 | -177.7 | 55.4 | 84.4 | 0 | 0 | 0 | 115.9 | H264 L269 N272 R324 E325 | H264-W266 AromaticContact CE1-CD1 3.64Å; H264-W266 AromaticContact CE1-CD2 3.72Å; H264-W266 AromaticContact CE1-CE2 3.39Å; H264-W266 AromaticContact CE1-CG 3.85Å; H264-W266 AromaticContact CE1-CZ2 3.88Å; H264-W266 AromaticContact CE1-NE1 3.37Å; H264-W266 PolarHBondContact CE1-NE1 2.7Å; H264-W266 PolarHBondContact ND1-N 3.06Å; H264-W266 PolarHBondContact O-N 2.89Å; H264-W266 VanDerWaalsContact O-N 3.08Å; W266-L269 HydrophobicContact CB-CD1 3.94Å; W266-L269 WeakPolarHBondContact O-CB 3.38Å; W266-L269 PolarHBondContact O-N 3.41Å; W266-N272 PolarHBondContact O-ND2 3.22Å; W266-R324 HydrophobicContact CH2-CG 4.19Å; W266-R324 HydrophobicContact CZ3-CG 4.47Å; W266-E325 WeakPolarHBondContact CZ2-OE2 3.25Å |
| 267 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -45.7 | -176.2 | -178.4 | 178.2 | -69.1 | 0 | 0 | 110.3 | V224 A226 Y260 H264 L269 G270 G280 E310 L311 | V224-M267 HydrophobicContact CG1-CB 3.94Å; V224-M267 HydrophobicContact CG1-CE 4.04Å; V224-M267 HydrophobicContact CG1-CG 4.05Å; A226-M267 HydrophobicContact CB-SD 3.95Å; A226-M267 PolarHBondContact N-SD 2.82Å; A226-M267 VanDerWaalsContact N-SD 3.38Å; Y260-M267 HydrophobicContact CD1-CE 4.04Å; Y260-M267 HydrophobicContact CD1-SD 4.02Å; Y260-M267 HydrophobicContact CE1-CE 3.93Å; H264-M267 HydrophobicContact CB-CB 3.82Å; H264-M267 VanDerWaalsContact ND1-CB 3.31Å; H264-M267 WeakPolarHBondContact ND1-CB 3.36Å; H264-M267 PolarHBondContact ND1-N 2.7Å; M267-L269 PolarHBondContact O-N 3.03Å; M267-G270 PolarHBondContact O-N 2.86Å; M267-G280 WeakPolarHBondContact CG-O 3.25Å; M267-G280 WeakPolarHBondContact O-CA 3.28Å; M267-E310 VanDerWaalsContact CE-O 3.26Å; M267-E310 WeakPolarHBondContact CE-O 3.39Å; M267-L311 HydrophobicContact CE-CD2 4.39Å |
| 268 | H | 98.6 | Very high | 97.7 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.7 | 178.4 | 65.4 | -85.3 | 0 | 0 | 0 | 115.1 | S261 Y262 H264 G270 | S261-H268 WeakPolarHBondContact O-CB 3.4Å; S261-H268 PolarHBondContact O-N 3.37Å; S261-H268 PolarHBondContact O-ND1 3.07Å; S261-H268 VanDerWaalsContact OG-CA 3.25Å; S261-H268 WeakPolarHBondContact OG-CA 3.46Å; S261-H268 PolarHBondContact OG-N 3.33Å; S261-H268 VanDerWaalsContact OG-N 3.16Å; Y262-H268 HydrophobicContact CD1-CB 3.85Å; Y262-H268 HydrophobicContact CD2-CB 4.44Å; Y262-H268 HydrophobicContact CE1-CB 4.15Å; Y262-H268 HydrophobicContact CG-CB 4.02Å; H264-H268 PolarHBondContact O-ND1 3.27Å; H264-H268 VanDerWaalsContact O-ND1 3.12Å; H268-G270 PolarHBondContact O-N 3.04Å |
| 269 | L | 98.1 | Very high | 97.6 | Very high | 111 Ų | 111 | 53.1 Ų | 53.1 | 58% | 0.581 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -23 | 174.9 | -58.8 | 179.8 | 0 | 0 | 0 | 111.8 | W266 M267 W271 | W266-L269 HydrophobicContact CB-CD1 3.94Å; W266-L269 WeakPolarHBondContact O-CB 3.38Å; W266-L269 PolarHBondContact O-N 3.41Å; M267-L269 PolarHBondContact O-N 3.03Å; L269-W271 PolarHBondContact O-N 2.94Å |
| 270 | G | 97.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | 78 | -26.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | M267 H268 F276 F277 | M267-G270 PolarHBondContact O-N 2.86Å; H268-G270 PolarHBondContact O-N 3.04Å; G270-F276 CarbonylContact O-C 3.45Å; G270-F276 VanDerWaalsContact O-CA 3.3Å; G270-F276 WeakPolarHBondContact O-CA 3.5Å; G270-F277 WeakPolarHBondContact CA-O 3.26Å; G270-F277 PolarHBondContact O-N 3.1Å | ||
| 271 | W | 97.1 | Very high | 97.6 | Very high | 176 Ų | 176 | 52.8 Ų | 52.8 | 67% | 0.667 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 97.7 | 177.4 | -115.5 | 95.8 | 0 | 0 | 0 | 111.1 | L269 D275 F276 | L269-W271 PolarHBondContact O-N 2.94Å; W271-D275 WeakPolarHBondContact CA-O 3.42Å; W271-F276 AromaticContact CD1-CD2 3.23Å; W271-F276 AromaticContact CD1-CE2 3.97Å; W271-F276 AromaticContact CD1-CG 3.92Å; W271-F276 HydrophobicContact CG-CD2 4.1Å; W271-F276 AromaticContact NE1-CD2 3.75Å; W271-F276 AromaticContact NE1-CG 3.97Å |
| 272 | N | 95.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 15% | 0.15 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145.1 | 179.8 | -70.3 | -74.4 | 0 | 0 | 0 | 109.7 | V224 W266 G274 D275 | V224-N272 HydrophobicContact CB-CB 3.64Å; V224-N272 HydrophobicContact CG1-CB 4.48Å; V224-N272 HydrophobicContact CG2-CB 3.99Å; W266-N272 PolarHBondContact O-ND2 3.22Å; N272-G274 PolarHBondContact O-N 3.06Å; N272-D275 PolarHBondContact N-O 3.41Å; N272-D275 VanDerWaalsContact N-O 3.12Å; N272-D275 WeakPolarHBondContact O-CA 3.46Å; N272-D275 PolarHBondContact O-N 2.88Å |
| 273 | C | 94.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 37% | 0.365 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 14.2 | 174.2 | -34.2 | 0 | 0 | 0 | 0 | 115.8 | D275 C313 | C273-D275 VanDerWaalsContact C-N 3.29Å; C273-C313 WeakPolarHBondContact CA-SG 3.28Å; C273-C313 HydrophobicContact CB-CB 3.73Å; C273-C313 WeakPolarHBondContact CB-SG 3.45Å; C273-C313 PolarHBondContact N-SG 3.28Å; C273-C313 VanDerWaalsContact N-SG 3.4Å; C273-C313 WeakPolarHBondContact SG-CA 3.3Å; C273-C313 WeakPolarHBondContact SG-CB 3.42Å; C273-C313 CovalentContact SG-SG 2.03Å; C273-C313 PolarHBondContact SG-SG 3.25Å |
| 274 | G | 93.8 | Very high | 97.6 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -0.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N272 | N272-G274 PolarHBondContact O-N 3.06Š|
| 275 | D | 94.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 154.1 | 172.7 | -66.3 | -49.6 | 0 | 0 | 0 | 111.3 | W271 N272 C273 F277 | W271-D275 WeakPolarHBondContact CA-O 3.42Å; N272-D275 PolarHBondContact N-O 3.41Å; N272-D275 VanDerWaalsContact N-O 3.12Å; N272-D275 WeakPolarHBondContact O-CA 3.46Å; N272-D275 PolarHBondContact O-N 2.88Å; C273-D275 VanDerWaalsContact C-N 3.29Å; D275-F277 HydrophobicContact CB-CD2 4.11Å; D275-F277 HydrophobicContact CB-CE2 3.49Å; D275-F277 VanDerWaalsContact CB-CE2 3.49Å; D275-F277 HydrophobicContact CB-CZ 4.02Å |
| 276 | F | 97.7 | Very high | 97.5 | Very high | 121 Ų | 121 | 45.2 Ų | 45.2 | 53% | 0.531 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113.6 | 170.6 | 178.7 | -112.3 | 0 | 0 | 0 | 111.2 | G270 W271 N278 | G270-F276 CarbonylContact O-C 3.45Å; G270-F276 VanDerWaalsContact O-CA 3.3Å; G270-F276 WeakPolarHBondContact O-CA 3.5Å; W271-F276 AromaticContact CD1-CD2 3.23Å; W271-F276 AromaticContact CD1-CE2 3.97Å; W271-F276 AromaticContact CD1-CG 3.92Å; W271-F276 HydrophobicContact CG-CD2 4.1Å; W271-F276 AromaticContact NE1-CD2 3.75Å; W271-F276 AromaticContact NE1-CG 3.97Å; F276-N278 HydrophobicContact CE1-CB 4.4Å; F276-N278 HydrophobicContact CZ-CB 4.39Å |
| 277 | F | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | trans | -116.8 | 112 | 172.7 | -59.9 | -71.2 | 0 | 0 | 0 | 109.5 | V225 G270 D275 E279 G280 T282 W287 | V225-F277 HydrophobicContact CB-CB 4.46Å; V225-F277 HydrophobicContact CB-CD2 3.59Å; V225-F277 HydrophobicContact CB-CE2 3.89Å; V225-F277 HydrophobicContact CB-CG 3.99Å; V225-F277 HydrophobicContact CG1-CD2 4.11Å; V225-F277 HydrophobicContact CG1-CE2 3.88Å; V225-F277 HydrophobicContact CG1-CZ 4.22Å; V225-F277 HydrophobicContact CG2-CB 3.77Å; V225-F277 HydrophobicContact CG2-CD1 3.95Å; V225-F277 HydrophobicContact CG2-CD2 3.7Å; V225-F277 HydrophobicContact CG2-CE1 4.47Å; V225-F277 HydrophobicContact CG2-CE2 4.24Å; V225-F277 HydrophobicContact CG2-CG 3.52Å; G270-F277 WeakPolarHBondContact CA-O 3.26Å; G270-F277 PolarHBondContact O-N 3.1Å; D275-F277 HydrophobicContact CB-CD2 4.11Å; D275-F277 HydrophobicContact CB-CE2 3.49Å; D275-F277 VanDerWaalsContact CB-CE2 3.49Å; D275-F277 HydrophobicContact CB-CZ 4.02Å; F277-E279 PolarHBondContact O-N 3.03Å; F277-G280 PolarHBondContact O-N 2.91Å; F277-T282 HydrophobicContact CD1-CG2 4.22Å; F277-T282 HydrophobicContact CE1-CG2 4.13Å; F277-W287 HydrophobicContact CE1-CB 4.43Å; F277-W287 AromaticContact CE1-CD1 3.93Å; F277-W287 HydrophobicContact CE1-CD2 4.24Å; F277-W287 AromaticContact CE1-CG 3.97Å; F277-W287 HydrophobicContact CE1-CG 3.97Å; F277-W287 AromaticContact CZ-CD1 3.91Å; F277-W287 AromaticContact CZ-CD2 3.99Å; F277-W287 HydrophobicContact CZ-CD2 3.99Å; F277-W287 AromaticContact CZ-CE2 3.73Å; F277-W287 HydrophobicContact CZ-CG 4.11Å; F277-W287 HydrophobicContact CZ-CZ2 4.22Å; F277-W287 AromaticContact CZ-NE1 3.67Å | ||
| 278 | N | 98.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 50.1 Ų | 50.1 | 58% | 0.578 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -57.7 | 128.5 | 178.4 | -175.5 | 59.6 | 0 | 0 | 0 | 110.5 | F276 G280 I281 | F276-N278 HydrophobicContact CE1-CB 4.4Å; F276-N278 HydrophobicContact CZ-CB 4.39Å; N278-G280 PolarHBondContact O-N 3.12Å; N278-I281 PolarHBondContact O-N 3.02Å |
| 279 | E | 98.5 | Very high | 97 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | 60.6 | 13.9 | -173.6 | -48.1 | -179.6 | 76.7 | 0 | 0 | 114.8 | R258 S261 Y262 F277 I281 | R258-E279 IonicContact CZ-OE1 3.39Å; R258-E279 IonicContact CZ-OE2 3.64Å; R258-E279 IonicContact NE-OE1 3.92Å; R258-E279 PolarHBondContact NE-OE1 2.82Å; R258-E279 IonicContact NE-OE2 2.91Å; R258-E279 PolarHBondContact NE-OE2 3.1Å; R258-E279 IonicContact NH2-OE1 3.64Å; R258-E279 IonicContact NH2-OE2 3.63Å; R258-E279 PolarHBondContact NH2-OE2 2.98Å; S261-E279 WeakPolarHBondContact CB-O 3.26Å; S261-E279 PolarHBondContact OG-O 3.03Å; Y262-E279 HydrophobicContact CE2-CB 3.99Å; Y262-E279 HydrophobicContact CE2-CG 4.46Å; Y262-E279 WeakPolarHBondContact OH-CG 3.42Å; Y262-E279 PolarHBondContact OH-OE1 2.82Å; F277-E279 PolarHBondContact O-N 3.03Å; E279-I281 VanDerWaalsContact C-N 3.25Å; E279-I281 PolarHBondContact O-N 2.95Å |
| 280 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | 65.7 | 24.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V225 A226 S261 M267 F277 N278 | V225-G280 WeakPolarHBondContact CA-O 3.43Å; V225-G280 WeakPolarHBondContact CG2-O 3.41Å; A226-G280 PolarHBondContact N-O 3.13Å; S261-G280 WeakPolarHBondContact OG-CA 3.48Å; S261-G280 PolarHBondContact OG-O 3.31Å; M267-G280 WeakPolarHBondContact CG-O 3.25Å; M267-G280 WeakPolarHBondContact O-CA 3.28Å; F277-G280 PolarHBondContact O-N 2.91Å; N278-G280 PolarHBondContact O-N 3.12Å |
| 281 | I | 98.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.6 | 177.9 | 73.3 | 178.8 | 0 | 0 | 0 | 111 | A226 Y228 R254 A257 R258 N278 E279 | A226-I281 HydrophobicContact CB-CG2 4.26Å; A226-I281 CarbonylContact O-C 3.58Å; A226-I281 VanDerWaalsContact O-CA 3.28Å; A226-I281 WeakPolarHBondContact O-CA 3.34Å; Y228-I281 HydrophobicContact CE1-CB 4.15Å; Y228-I281 HydrophobicContact CE1-CD1 4.12Å; Y228-I281 HydrophobicContact CE1-CG1 4.12Å; R254-I281 HydrophobicContact CB-CD1 4.48Å; A257-I281 HydrophobicContact CB-CB 4.03Å; A257-I281 HydrophobicContact CB-CG2 3.71Å; R258-I281 HydrophobicContact CG-CD1 3.86Å; R258-I281 HydrophobicContact CG-CG2 4.15Å; N278-I281 PolarHBondContact O-N 3.02Å; E279-I281 VanDerWaalsContact C-N 3.25Å; E279-I281 PolarHBondContact O-N 2.95Å |
| 282 | T | 98.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 146.6 | 172.9 | -166.3 | 0 | 0 | 0 | 0 | 112.7 | V225 A226 N227 Y228 F277 W287 | V225-T282 HydrophobicContact CG1-CG2 4.29Å; V225-T282 HydrophobicContact CG2-CG2 3.67Å; A226-T282 PolarHBondContact O-N 3.42Å; N227-T282 CarbonylContact C-O 3.58Å; N227-T282 VanDerWaalsContact CA-O 3.29Å; N227-T282 WeakPolarHBondContact CA-O 3.24Å; N227-T282 HydrophobicContact CB-CG2 4.1Å; Y228-T282 WeakPolarHBondContact CD1-O 3.31Å; Y228-T282 VanDerWaalsContact CE1-O 3.23Å; Y228-T282 WeakPolarHBondContact CE1-O 3.39Å; Y228-T282 PolarHBondContact N-O 3.28Å; F277-T282 HydrophobicContact CD1-CG2 4.22Å; F277-T282 HydrophobicContact CE1-CG2 4.13Å; T282-W287 HydrophobicContact CG2-CB 4.02Å; T282-W287 HydrophobicContact CG2-CD2 4.45Å; T282-W287 HydrophobicContact CG2-CE3 4.08Å; T282-W287 HydrophobicContact CG2-CG 4.48Å |
| 283 | N | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 133.2 | 162.7 | 165.8 | -105.3 | 0 | 0 | 0 | 108.6 | Y228 P229 F230 Y244 S245 A285 S286 W287 | Y228-N283 HydrophobicContact CD2-CB 4.4Å; Y228-N283 HydrophobicContact CE2-CB 3.74Å; Y228-N283 WeakPolarHBondContact O-CA 3.4Å; P229-N283 VanDerWaalsContact C-ND2 3.26Å; P229-N283 PolarHBondContact O-ND2 2.98Å; F230-N283 PolarHBondContact N-ND2 3.33Å; F230-N283 VanDerWaalsContact N-ND2 3.13Å; F230-N283 PolarHBondContact O-ND2 2.74Å; F230-N283 VanDerWaalsContact O-ND2 3.1Å; Y244-N283 HydrophobicContact CD2-CB 3.59Å; Y244-N283 HydrophobicContact CE2-CB 3.28Å; Y244-N283 HydrophobicContact CG-CB 4.36Å; S245-N283 PolarHBondContact N-OD1 3.09Å; S245-N283 PolarHBondContact O-ND2 3.46Å; S245-N283 VanDerWaalsContact O-ND2 3.12Å; N283-A285 PolarHBondContact O-N 2.55Å; N283-A285 PolarHBondContact OD1-N 2.93Å; N283-S286 WeakPolarHBondContact O-CA 3.43Å; N283-S286 VanDerWaalsContact O-CB 3.29Å; N283-S286 WeakPolarHBondContact O-CB 3.46Å; N283-S286 PolarHBondContact O-N 3.3Å; N283-S286 PolarHBondContact OD1-N 2.94Å; N283-S286 VanDerWaalsContact OD1-N 3.09Å; N283-W287 PolarHBondContact O-N 2.93Å; N283-W287 VanDerWaalsContact O-N 3.09Å |
| 284 | G | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | N227 Y228 S286 W287 Y288 | N227-G284 WeakPolarHBondContact OD1-CA 3.46Å; N227-G284 PolarHBondContact OD1-N 3.45Å; Y228-G284 PolarHBondContact O-N 2.77Å; G284-S286 PolarHBondContact O-N 3.38Å; G284-W287 PolarHBondContact O-N 3.42Å; G284-Y288 CarbonylContact O-C 3.56Å; G284-Y288 PolarHBondContact O-N 2.67Å |
| 285 | A | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F230 D231 T243 S245 N283 W287 | F230-A285 WeakPolarHBondContact O-CB 3.46Å; F230-A285 PolarHBondContact O-N 3.41Å; D231-A285 VanDerWaalsContact O-CA 3.31Å; D231-A285 WeakPolarHBondContact O-CA 3.13Å; D231-A285 PolarHBondContact O-N 3.09Å; T243-A285 PolarHBondContact N-O 2.95Å; T243-A285 CarbonylContact O-C 3.46Å; T243-A285 VanDerWaalsContact O-CB 3.3Å; T243-A285 WeakPolarHBondContact O-CB 3.39Å; S245-A285 VanDerWaalsContact CB-CB 3.43Å; N283-A285 PolarHBondContact O-N 2.55Å; N283-A285 PolarHBondContact OD1-N 2.93Å; A285-W287 VanDerWaalsContact C-N 3.35Å |
| 286 | S | 96.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 30% | 0.301 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.8 | -30.4 | 175.5 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | T242 T243 N283 G284 | T242-S286 WeakPolarHBondContact CB-O 3.22Å; T242-S286 PolarHBondContact OG1-O 3.15Å; T243-S286 PolarHBondContact O-N 3.25Å; N283-S286 WeakPolarHBondContact O-CA 3.43Å; N283-S286 VanDerWaalsContact O-CB 3.29Å; N283-S286 WeakPolarHBondContact O-CB 3.46Å; N283-S286 PolarHBondContact O-N 3.3Å; N283-S286 PolarHBondContact OD1-N 2.94Å; N283-S286 VanDerWaalsContact OD1-N 3.09Å; G284-S286 PolarHBondContact O-N 3.38Å |
| 287 | W | 96.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -79.4 | -60.1 | 172.4 | -179.3 | 21.5 | 0 | 0 | 0 | 110.8 | A223 V225 T242 F277 T282 N283 G284 A285 E310 | A223-W287 HydrophobicContact CB-CH2 3.71Å; A223-W287 HydrophobicContact CB-CZ2 3.94Å; V225-W287 HydrophobicContact CG1-CE3 4.48Å; V225-W287 HydrophobicContact CG1-CH2 4.36Å; V225-W287 HydrophobicContact CG1-CZ3 4.09Å; T242-W287 VanDerWaalsContact CG2-O 3.26Å; T242-W287 WeakPolarHBondContact CG2-O 3.48Å; F277-W287 HydrophobicContact CE1-CB 4.43Å; F277-W287 AromaticContact CE1-CD1 3.93Å; F277-W287 HydrophobicContact CE1-CD2 4.24Å; F277-W287 AromaticContact CE1-CG 3.97Å; F277-W287 HydrophobicContact CE1-CG 3.97Å; F277-W287 AromaticContact CZ-CD1 3.91Å; F277-W287 AromaticContact CZ-CD2 3.99Å; F277-W287 HydrophobicContact CZ-CD2 3.99Å; F277-W287 AromaticContact CZ-CE2 3.73Å; F277-W287 HydrophobicContact CZ-CG 4.11Å; F277-W287 HydrophobicContact CZ-CZ2 4.22Å; F277-W287 AromaticContact CZ-NE1 3.67Å; T282-W287 HydrophobicContact CG2-CB 4.02Å; T282-W287 HydrophobicContact CG2-CD2 4.45Å; T282-W287 HydrophobicContact CG2-CE3 4.08Å; T282-W287 HydrophobicContact CG2-CG 4.48Å; N283-W287 PolarHBondContact O-N 2.93Å; N283-W287 VanDerWaalsContact O-N 3.09Å; G284-W287 PolarHBondContact O-N 3.42Å; A285-W287 VanDerWaalsContact C-N 3.35Å; W287-E310 HydrophobicContact CH2-CG 4.06Å; W287-E310 HydrophobicContact CZ3-CG 4Å |
| 288 | Y | 93.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 25.2 Ų | 25.2 | 35% | 0.345 | 13% | 0.131 | S | C | . | . | trans | -161.3 | 135.9 | 167.9 | 62.7 | -89.6 | 0 | 0 | 0 | 110.8 | G284 L290 | G284-Y288 CarbonylContact O-C 3.56Å; G284-Y288 PolarHBondContact O-N 2.67Å; Y288-L290 HydrophobicContact CD2-CB 4.46Å; Y288-L290 HydrophobicContact CE2-CB 4.2Å; Y288-L290 HydrophobicContact CE2-CD1 4.1Å; Y288-L290 PolarHBondContact O-N 3.01Å | ||
| 289 | S | 95.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 20.2 Ų | 20.2 | 24% | 0.238 | 10% | 0.104 | C | C | . | . | trans | -64.4 | 126.4 | -179.8 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | D231 S233 | D231-S289 WeakPolarHBondContact O-CA 3.46Å; S233-S289 PolarHBondContact N-OG 3.43Å | ||
| 290 | L | 94.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 18.3 Ų | 18.3 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | trans | -131.1 | 131.6 | 180 | 175 | 166.4 | 0 | 0 | 0 | 108.9 | R165 D231 K232 Y288 | R165-L290 VanDerWaalsContact NH1-CG 3.32Å; R165-L290 VanDerWaalsContact NH2-CD1 3.31Å; D231-L290 CarbonylContact C-O 3.28Å; D231-L290 VanDerWaalsContact C-O 3.25Å; D231-L290 HydrophobicContact CB-CB 4.12Å; D231-L290 HydrophobicContact CB-CD2 4.07Å; D231-L290 PolarHBondContact O-N 3.16Å; K232-L290 WeakPolarHBondContact CA-O 3.22Å; K232-L290 WeakPolarHBondContact CB-O 3.25Å; K232-L290 PolarHBondContact N-O 3.3Å; K232-L290 VanDerWaalsContact N-O 3.12Å; Y288-L290 HydrophobicContact CD2-CB 4.46Å; Y288-L290 HydrophobicContact CE2-CB 4.2Å; Y288-L290 HydrophobicContact CE2-CD1 4.1Å; Y288-L290 PolarHBondContact O-N 3.01Å | ||
| 291 | S | 96.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 20.4 Ų | 20.4 | 32% | 0.315 | 10% | 0.104 | S | C | . | . | trans | -116.3 | 160 | 174.6 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | R165 G293 | R165-S291 VanDerWaalsContact CD-O 3.23Å; R165-S291 WeakPolarHBondContact CD-O 3.25Å; S291-G293 PolarHBondContact O-N 3.37Å | ||
| 292 | K | 98.1 | Very high | 97.8 | Very high | 69 Ų | 69 | 20.5 Ų | 20.5 | 30% | 0.3 | 11% | 0.105 | S | C | . | . | S | Bend | trans | 62.8 | 28.4 | 179.5 | -59.6 | 178.2 | 65.4 | 86.6 | 0 | 113.2 | N164 R165 N166 F167 D169 | N164-K292 CarbonylContact C-O 3.59Å; R165-K292 VanDerWaalsContact C-CB 3.42Å; R165-K292 CarbonylContact C-O 3.17Å; R165-K292 VanDerWaalsContact C-O 3.25Å; R165-K292 VanDerWaalsContact CA-O 3.27Å; R165-K292 WeakPolarHBondContact CA-O 3.49Å; R165-K292 PolarHBondContact N-O 2.91Å; R165-K292 WeakPolarHBondContact O-CB 3.47Å; R165-K292 WeakPolarHBondContact O-CD 3.43Å; R165-K292 WeakPolarHBondContact O-CE 3.31Å; N166-K292 PolarHBondContact N-O 3.3Å; F167-K292 PolarHBondContact N-O 3.2Å; F167-K292 VanDerWaalsContact N-O 3.1Å; F167-K292 WeakPolarHBondContact O-CA 3.25Å; F167-K292 WeakPolarHBondContact O-CB 3.26Å; F167-K292 WeakPolarHBondContact O-CE 3.07Å; F167-K292 VanDerWaalsContact O-CG 3.23Å; F167-K292 WeakPolarHBondContact O-CG 3.41Å; F167-K292 PolarHBondContact O-NZ 3.21Å; D169-K292 HydrophobicContact CB-CG 3.81Å |
| 293 | G | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 4% | 0.041 | 10% | 0.104 | C | C | . | . | trans | -85.7 | 156.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N164 S291 F297 | N164-G293 WeakPolarHBondContact O-CA 3.08Å; N164-G293 WeakPolarHBondContact OD1-CA 3.39Å; S291-G293 PolarHBondContact O-N 3.37Å; G293-F297 WeakPolarHBondContact O-CB 3.38Å; G293-F297 PolarHBondContact O-N 3.2Å | ||
| 294 | M | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.9 | -37.1 | -179.9 | -171.8 | 168.2 | 66.2 | 0 | 0 | 112.5 | V86 M89 M133 N164 F167 V204 M208 N218 F297 N298 | V86-M294 HydrophobicContact CB-CE 4.11Å; V86-M294 HydrophobicContact CG1-CE 3.96Å; V86-M294 HydrophobicContact CG2-CE 4.47Å; M89-M294 HydrophobicContact CE-CB 4.1Å; M89-M294 HydrophobicContact CE-CE 4.32Å; M89-M294 HydrophobicContact CE-SD 4.45Å; M89-M294 HydrophobicContact SD-CE 4.11Å; M133-M294 HydrophobicContact CE-SD 4.47Å; M133-M294 HydrophobicContact SD-CE 4.49Å; M133-M294 HydrophobicContact SD-SD 3.94Å; N164-M294 PolarHBondContact OD1-N 2.67Å; F167-M294 HydrophobicContact CD2-CB 3.93Å; F167-M294 HydrophobicContact CE1-CB 4.28Å; F167-M294 HydrophobicContact CE1-CG 3.83Å; F167-M294 HydrophobicContact CE1-SD 4.4Å; F167-M294 HydrophobicContact CE2-CB 3.53Å; F167-M294 HydrophobicContact CE2-CG 3.81Å; F167-M294 HydrophobicContact CE2-SD 4.12Å; F167-M294 HydrophobicContact CG-CB 4.49Å; F167-M294 HydrophobicContact CZ-CB 3.72Å; F167-M294 HydrophobicContact CZ-CG 3.42Å; F167-M294 VanDerWaalsContact CZ-CG 3.42Å; F167-M294 HydrophobicContact CZ-SD 3.6Å; V204-M294 HydrophobicContact CG1-SD 3.85Å; M208-M294 HydrophobicContact CE-CG 3.81Å; M208-M294 HydrophobicContact CE-SD 4.07Å; N218-M294 HydrophobicContact CB-CE 3.36Å; M294-F297 WeakPolarHBondContact O-CB 3.42Å; M294-F297 PolarHBondContact O-N 2.87Å; M294-N298 PolarHBondContact O-N 3.21Å; M294-N298 PolarHBondContact O-ND2 2.88Å |
| 295 | Q | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.1 | -57.5 | -175.9 | -172.6 | -164.3 | -98.2 | 0 | 0 | 112.1 | N227 P229 D231 F297 N298 E306 T308 | N227-Q295 PolarHBondContact ND2-OE1 2.87Å; N227-Q295 PolarHBondContact O-OE1 3.37Å; N227-Q295 VanDerWaalsContact O-OE1 3.06Å; P229-Q295 HydrophobicContact CG-CG 3.84Å; D231-Q295 PolarHBondContact OD1-NE2 2.89Å; D231-Q295 PolarHBondContact OD2-NE2 3.32Å; Q295-F297 VanDerWaalsContact C-N 3.26Å; Q295-F297 PolarHBondContact O-N 3.26Å; Q295-N298 PolarHBondContact O-N 3.48Å; Q295-E306 WeakPolarHBondContact CA-OE1 3.28Å; Q295-E306 HydrophobicContact CG-CB 4.47Å; Q295-E306 HydrophobicContact CG-CG 4.49Å; Q295-E306 VanDerWaalsContact CG-O 3.24Å; Q295-E306 WeakPolarHBondContact CG-O 3.44Å; Q295-T308 PolarHBondContact OE1-OG1 2.93Å |
| 296 | D | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67 | -30 | 179.4 | -71.6 | 6.5 | 0 | 0 | 0 | 111.8 | N171 F230 D231 K232 Y299 L300 | N171-D296 PolarHBondContact ND2-OD2 2.95Å; F230-D296 WeakPolarHBondContact CA-OD1 3.42Å; F230-D296 HydrophobicContact CD1-CB 4.24Å; F230-D296 WeakPolarHBondContact CD1-OD2 3.46Å; D231-D296 VanDerWaalsContact N-CG 3.3Å; D231-D296 PolarHBondContact N-OD1 3.05Å; D231-D296 PolarHBondContact N-OD2 3.11Å; K232-D296 PolarHBondContact N-OD2 3.14Å; D296-Y299 PolarHBondContact O-N 2.86Å; D296-L300 WeakPolarHBondContact O-CB 3.42Å; D296-L300 VanDerWaalsContact O-CG 3.24Å; D296-L300 WeakPolarHBondContact O-CG 3.3Å; D296-L300 PolarHBondContact O-N 3.42Å |
| 297 | F | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.9 | -178.9 | -89.9 | 0 | 0 | 0 | 112 | F167 P168 L170 L189 I205 M208 G293 M294 Q295 Y299 L300 Y301 | F167-F297 HydrophobicContact CB-CB 4.12Å; F167-F297 HydrophobicContact CB-CD2 4.15Å; F167-F297 HydrophobicContact CB-CG 4.2Å; F167-F297 HydrophobicContact CD1-CB 3.97Å; F167-F297 AromaticContact CD1-CD1 3.67Å; F167-F297 HydrophobicContact CD1-CD1 3.67Å; F167-F297 HydrophobicContact CD1-CD2 4.12Å; F167-F297 HydrophobicContact CD1-CE1 4.18Å; F167-F297 AromaticContact CD1-CG 3.64Å; F167-F297 HydrophobicContact CD1-CG 3.64Å; F167-F297 HydrophobicContact CE1-CD1 4.13Å; F167-F297 HydrophobicContact CG-CB 4.29Å; F167-F297 HydrophobicContact CG-CG 4.31Å; P168-F297 HydrophobicContact CB-CD2 4.38Å; P168-F297 HydrophobicContact CB-CE2 4.05Å; P168-F297 HydrophobicContact CG-CD2 4.49Å; P168-F297 HydrophobicContact CG-CE2 3.88Å; L170-F297 HydrophobicContact CD1-CD2 3.87Å; L170-F297 HydrophobicContact CD1-CE2 3.96Å; L170-F297 HydrophobicContact CG-CD2 4.31Å; L189-F297 HydrophobicContact CD1-CZ 4.34Å; L189-F297 HydrophobicContact CD2-CE2 3.55Å; L189-F297 HydrophobicContact CD2-CZ 3.89Å; I205-F297 HydrophobicContact CB-CE1 4.45Å; I205-F297 HydrophobicContact CB-CZ 4.47Å; I205-F297 HydrophobicContact CD1-CE1 4.32Å; I205-F297 HydrophobicContact CD1-CE2 4.33Å; I205-F297 HydrophobicContact CD1-CZ 3.9Å; I205-F297 HydrophobicContact CG1-CE1 3.74Å; I205-F297 HydrophobicContact CG1-CZ 3.78Å; I205-F297 HydrophobicContact CG2-CE1 4.19Å; I205-F297 HydrophobicContact CG2-CZ 3.91Å; M208-F297 HydrophobicContact SD-CD1 3.91Å; M208-F297 HydrophobicContact SD-CE1 3.92Å; G293-F297 WeakPolarHBondContact O-CB 3.38Å; G293-F297 PolarHBondContact O-N 3.2Å; M294-F297 WeakPolarHBondContact O-CB 3.42Å; M294-F297 PolarHBondContact O-N 2.87Å; Q295-F297 VanDerWaalsContact C-N 3.26Å; Q295-F297 PolarHBondContact O-N 3.26Å; F297-Y299 PolarHBondContact O-N 3.49Å; F297-L300 PolarHBondContact O-N 2.74Å; F297-Y301 AromaticContact CE1-CD1 3.53Å; F297-Y301 HydrophobicContact CE1-CD1 3.53Å; F297-Y301 HydrophobicContact CE1-CE1 4.4Å; F297-Y301 AromaticContact CE1-CG 3.91Å; F297-Y301 HydrophobicContact CE1-CG 3.91Å; F297-Y301 HydrophobicContact CE2-CD1 4.39Å; F297-Y301 HydrophobicContact CE2-CG 4.13Å; F297-Y301 AromaticContact CZ-CD1 3.42Å; F297-Y301 HydrophobicContact CZ-CD1 3.42Å; F297-Y301 VanDerWaalsContact CZ-CD1 3.42Å; F297-Y301 HydrophobicContact CZ-CD2 4.35Å; F297-Y301 HydrophobicContact CZ-CE1 4.08Å; F297-Y301 AromaticContact CZ-CG 3.59Å; F297-Y301 HydrophobicContact CZ-CG 3.59Å; F297-Y301 WeakPolarHBondContact O-CB 3.44Å; F297-Y301 PolarHBondContact O-N 3.4Å |
| 298 | N | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -52.9 | -54.7 | 176.2 | -83 | -95.3 | 0 | 0 | 0 | 110.9 | K84 M208 M294 Q295 L300 T302 C304 E306 | K84-N298 WeakPolarHBondContact CE-OD1 3.47Å; K84-N298 PolarHBondContact NZ-OD1 2.81Å; M208-N298 WeakPolarHBondContact CE-ND2 3.26Å; M208-N298 WeakPolarHBondContact CE-OD1 3.48Å; M294-N298 PolarHBondContact O-N 3.21Å; M294-N298 PolarHBondContact O-ND2 2.88Å; Q295-N298 PolarHBondContact O-N 3.48Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 3.4Å; N298-T302 PolarHBondContact O-N 3.38Å; N298-T302 PolarHBondContact O-OG1 3.05Å; N298-C304 CarbonylContact C-O 3.52Å; N298-C304 HydrophobicContact CB-CB 4.2Å; N298-E306 HydrophobicContact CB-CB 3.77Å; N298-E306 PolarHBondContact ND2-OE1 3.25Å; N298-E306 PolarHBondContact ND2-OE2 3.49Å; N298-E306 PolarHBondContact OD1-OE2 3.31Å |
| 299 | Y | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.012 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.3 | -36.3 | -175.5 | -177.2 | -112.6 | 0 | 0 | 0 | 112.5 | F230 T247 D249 F253 D296 F297 C304 F305 H368 | F230-Y299 AromaticContact CE1-CD1 3.77Å; F230-Y299 HydrophobicContact CE1-CD1 3.77Å; F230-Y299 HydrophobicContact CE1-CE1 4.17Å; F230-Y299 AromaticContact CZ-CD1 3.96Å; F230-Y299 HydrophobicContact CZ-CD1 3.96Å; F230-Y299 AromaticContact CZ-CE1 3.88Å; F230-Y299 HydrophobicContact CZ-CE1 3.88Å; T247-Y299 HydrophobicContact CG2-CD1 4.26Å; T247-Y299 HydrophobicContact CG2-CE1 3.88Å; D249-Y299 HydrophobicContact CB-CE2 4.22Å; D249-Y299 WeakPolarHBondContact CB-OH 3.24Å; D249-Y299 PolarHBondContact N-OH 2.98Å; D249-Y299 PolarHBondContact OD2-OH 3.18Å; F253-Y299 AromaticContact CE2-CD2 3.77Å; F253-Y299 HydrophobicContact CE2-CD2 3.77Å; F253-Y299 AromaticContact CE2-CE2 3.61Å; F253-Y299 HydrophobicContact CE2-CE2 3.61Å; F253-Y299 HydrophobicContact CE2-CG 4.31Å; F253-Y299 AromaticContact CZ-CD2 3.66Å; F253-Y299 HydrophobicContact CZ-CD2 3.66Å; F253-Y299 AromaticContact CZ-CE2 3.98Å; F253-Y299 HydrophobicContact CZ-CE2 3.98Å; F253-Y299 HydrophobicContact CZ-CG 4.16Å; D296-Y299 PolarHBondContact O-N 2.86Å; F297-Y299 PolarHBondContact O-N 3.49Å; Y299-C304 WeakPolarHBondContact CA-O 3.46Å; Y299-C304 PolarHBondContact N-O 3.29Å; Y299-F305 AromaticContact CD2-CD1 3.77Å; Y299-F305 HydrophobicContact CD2-CD1 3.77Å; Y299-F305 AromaticContact CD2-CE1 3.75Å; Y299-F305 HydrophobicContact CD2-CE1 3.75Å; Y299-F305 HydrophobicContact CD2-CG 4.35Å; Y299-F305 HydrophobicContact CD2-CZ 4.32Å; Y299-F305 HydrophobicContact CE2-CD1 4.01Å; Y299-F305 AromaticContact CE2-CE1 3.55Å; Y299-F305 HydrophobicContact CE2-CE1 3.55Å; Y299-F305 HydrophobicContact CE2-CE2 4.27Å; Y299-F305 AromaticContact CE2-CZ 3.7Å; Y299-F305 HydrophobicContact CE2-CZ 3.7Å; Y299-H368 AromaticContact CD2-CE1 3.98Å; Y299-H368 AromaticContact CD2-NE2 3.61Å; Y299-H368 AromaticContact CE2-CD2 3.23Å; Y299-H368 WeakPolarHBondContact CE2-CD2 3.16Å; Y299-H368 AromaticContact CE2-CE1 3.75Å; Y299-H368 AromaticContact CE2-CG 3.76Å; Y299-H368 AromaticContact CE2-NE2 3.24Å; Y299-H368 WeakPolarHBondContact CE2-NE2 3.48Å; Y299-H368 AromaticContact CZ-CD2 3.45Å; Y299-H368 VanDerWaalsContact CZ-CD2 3.45Å; Y299-H368 AromaticContact CZ-CE1 3.85Å; Y299-H368 AromaticContact CZ-CG 3.45Å; Y299-H368 VanDerWaalsContact CZ-CG 3.45Å; Y299-H368 AromaticContact CZ-ND1 3.71Å; Y299-H368 AromaticContact CZ-NE2 3.73Å; Y299-H368 PolarHBondContact O-CE1 3.04Å; Y299-H368 VanDerWaalsContact OH-CB 3.31Å; Y299-H368 WeakPolarHBondContact OH-CB 3.49Å; Y299-H368 PolarHBondContact OH-CD2 3.3Å; Y299-H368 VanDerWaalsContact OH-CG 3.23Å |
| 300 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -85.8 | -27 | -176.3 | -65.1 | 177.7 | 0 | 0 | 0 | 113.7 | L170 N171 M174 H186 L187 F230 D296 F297 N298 | L170-L300 HydrophobicContact CB-CB 3.8Å; L170-L300 HydrophobicContact CB-CD1 3.76Å; L170-L300 HydrophobicContact CB-CG 4.44Å; L170-L300 HydrophobicContact CD1-CB 4.06Å; N171-L300 HydrophobicContact CB-CD1 4.43Å; M174-L300 HydrophobicContact CB-CD1 4.25Å; M174-L300 HydrophobicContact CB-CD2 3.83Å; M174-L300 HydrophobicContact CG-CD2 3.63Å; M174-L300 HydrophobicContact SD-CD2 3.84Å; H186-L300 PolarHBondContact N-O 3.22Å; L187-L300 HydrophobicContact CD1-CB 4.27Å; L187-L300 HydrophobicContact CD1-CD2 4.34Å; L187-L300 PolarHBondContact N-O 2.76Å; F230-L300 HydrophobicContact CE1-CD1 3.99Å; F230-L300 HydrophobicContact CE1-CD2 3.74Å; F230-L300 HydrophobicContact CE1-CG 3.94Å; F230-L300 HydrophobicContact CZ-CD2 3.85Å; D296-L300 WeakPolarHBondContact O-CB 3.42Å; D296-L300 VanDerWaalsContact O-CG 3.24Å; D296-L300 WeakPolarHBondContact O-CG 3.3Å; D296-L300 PolarHBondContact O-N 3.42Å; F297-L300 PolarHBondContact O-N 2.74Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 3.4Å |
| 301 | Y | 98.9 | Very high | 98.7 | Very high | 45 Ų | 45 | 10.4 Ų | 10.4 | 18% | 0.176 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -99.2 | -28.7 | -174.9 | -170.8 | -119.8 | 0 | 0 | 0 | 114 | L170 L187 L189 I205 Q209 F297 | L170-Y301 HydrophobicContact CD1-CD2 4.19Å; L170-Y301 HydrophobicContact CD1-CG 4.34Å; L187-Y301 WeakPolarHBondContact O-CD2 3.12Å; L189-Y301 HydrophobicContact CD1-CD2 4.46Å; L189-Y301 HydrophobicContact CD1-CE1 4.08Å; L189-Y301 HydrophobicContact CD1-CE2 3.81Å; L189-Y301 HydrophobicContact CD2-CD2 3.49Å; L189-Y301 VanDerWaalsContact CD2-CD2 3.49Å; L189-Y301 HydrophobicContact CD2-CE2 3.53Å; L189-Y301 HydrophobicContact CD2-CG 4.13Å; L189-Y301 HydrophobicContact CG-CD2 3.89Å; L189-Y301 HydrophobicContact CG-CE1 4.48Å; L189-Y301 HydrophobicContact CG-CE2 3.34Å; I205-Y301 HydrophobicContact CG2-CE1 4.34Å; Q209-Y301 HydrophobicContact CG-CE1 3.92Å; Q209-Y301 PolarHBondContact NE2-OH 2.91Å; F297-Y301 AromaticContact CE1-CD1 3.53Å; F297-Y301 HydrophobicContact CE1-CD1 3.53Å; F297-Y301 HydrophobicContact CE1-CE1 4.4Å; F297-Y301 AromaticContact CE1-CG 3.91Å; F297-Y301 HydrophobicContact CE1-CG 3.91Å; F297-Y301 HydrophobicContact CE2-CD1 4.39Å; F297-Y301 HydrophobicContact CE2-CG 4.13Å; F297-Y301 AromaticContact CZ-CD1 3.42Å; F297-Y301 HydrophobicContact CZ-CD1 3.42Å; F297-Y301 VanDerWaalsContact CZ-CD1 3.42Å; F297-Y301 HydrophobicContact CZ-CD2 4.35Å; F297-Y301 HydrophobicContact CZ-CE1 4.08Å; F297-Y301 AromaticContact CZ-CG 3.59Å; F297-Y301 HydrophobicContact CZ-CG 3.59Å; F297-Y301 WeakPolarHBondContact O-CB 3.44Å; F297-Y301 PolarHBondContact O-N 3.4Å |
| 302 | T | 98.9 | Very high | 98.8 | Very high | 15 Ų | 15 | 8.5 Ų | 8.5 | 9% | 0.092 | 4% | 0.041 | C | C | . | . | S | Bend | trans | -129.5 | -170.2 | -172 | 74 | 0 | 0 | 0 | 0 | 111.2 | M208 N298 C304 | M208-T302 HydrophobicContact CB-CG2 4.2Å; N298-T302 PolarHBondContact O-N 3.38Å; N298-T302 PolarHBondContact O-OG1 3.05Å; T302-C304 VanDerWaalsContact C-N 3.34Å; T302-C304 VanDerWaalsContact OG1-CB 3.27Å; T302-C304 WeakPolarHBondContact OG1-CB 3.24Å; T302-C304 PolarHBondContact OG1-N 2.81Å |
| 303 | N | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 8.2 Ų | 8.2 | 6% | 0.064 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -81.9 | -11.7 | 167.5 | -71.2 | -42.8 | 0 | 0 | 0 | 113.4 | H186 N212 F213 F305 V370 T371 | H186-N303 PolarHBondContact CE1-OD1 3.46Å; H186-N303 VanDerWaalsContact CE1-OD1 3.26Å; N212-N303 PolarHBondContact OD1-ND2 3.4Å; F213-N303 CarbonylContact O-C 3.45Å; N303-F305 WeakPolarHBondContact O-CD1 3.31Å; N303-F305 PolarHBondContact O-N 2.73Å; N303-V370 HydrophobicContact CB-CG1 4.37Å; N303-V370 WeakPolarHBondContact OD1-CA 3.12Å; N303-V370 WeakPolarHBondContact OD1-CB 3.44Å; N303-V370 WeakPolarHBondContact OD1-CG1 3.48Å; N303-T371 PolarHBondContact ND2-O 3.19Å; N303-T371 PolarHBondContact ND2-OG1 3.14Å; N303-T371 PolarHBondContact OD1-N 2.99Å |
| 304 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -74.3 | 126.4 | -166.6 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | F213 S216 N298 Y299 T302 | F213-C304 HydrophobicContact CB-CB 3.8Å; F213-C304 WeakPolarHBondContact O-CA 3.41Å; F213-C304 VanDerWaalsContact O-CB 3.27Å; F213-C304 WeakPolarHBondContact O-CB 3.43Å; F213-C304 PolarHBondContact O-N 3.37Å; S216-C304 WeakPolarHBondContact CB-SG 3.34Å; N298-C304 CarbonylContact C-O 3.52Å; N298-C304 HydrophobicContact CB-CB 4.2Å; Y299-C304 WeakPolarHBondContact CA-O 3.46Å; Y299-C304 PolarHBondContact N-O 3.29Å; T302-C304 VanDerWaalsContact C-N 3.34Å; T302-C304 VanDerWaalsContact OG1-CB 3.27Å; T302-C304 WeakPolarHBondContact OG1-CB 3.24Å; T302-C304 PolarHBondContact OG1-N 2.81Å | ||
| 305 | F | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.018 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.7 | 171.3 | -75.5 | 28.3 | 0 | 0 | 0 | 107.6 | V214 L215 S216 D249 I252 F253 L256 Y299 N303 H368 L381 | V214-F305 PolarHBondContact O-N 3.22Å; L215-F305 CarbonylContact C-O 3.58Å; L215-F305 WeakPolarHBondContact CA-O 3.37Å; L215-F305 HydrophobicContact CD1-CB 4.3Å; S216-F305 PolarHBondContact N-O 3.27Å; D249-F305 HydrophobicContact CB-CE2 3.76Å; D249-F305 HydrophobicContact CB-CZ 4.09Å; I252-F305 HydrophobicContact CG2-CD2 4.41Å; I252-F305 HydrophobicContact CG2-CE2 3.94Å; F253-F305 HydrophobicContact CE1-CB 3.91Å; F253-F305 HydrophobicContact CE1-CD2 4.25Å; F253-F305 HydrophobicContact CE1-CG 4.28Å; F253-F305 HydrophobicContact CE2-CD2 4.08Å; F253-F305 HydrophobicContact CE2-CE2 4.36Å; F253-F305 HydrophobicContact CE2-CG 4.45Å; F253-F305 HydrophobicContact CZ-CB 3.91Å; F253-F305 AromaticContact CZ-CD2 3.83Å; F253-F305 HydrophobicContact CZ-CD2 3.83Å; F253-F305 AromaticContact CZ-CG 3.83Å; F253-F305 HydrophobicContact CZ-CG 3.83Å; L256-F305 HydrophobicContact CD1-CD2 4.48Å; Y299-F305 AromaticContact CD2-CD1 3.77Å; Y299-F305 HydrophobicContact CD2-CD1 3.77Å; Y299-F305 AromaticContact CD2-CE1 3.75Å; Y299-F305 HydrophobicContact CD2-CE1 3.75Å; Y299-F305 HydrophobicContact CD2-CG 4.35Å; Y299-F305 HydrophobicContact CD2-CZ 4.32Å; Y299-F305 HydrophobicContact CE2-CD1 4.01Å; Y299-F305 AromaticContact CE2-CE1 3.55Å; Y299-F305 HydrophobicContact CE2-CE1 3.55Å; Y299-F305 HydrophobicContact CE2-CE2 4.27Å; Y299-F305 AromaticContact CE2-CZ 3.7Å; Y299-F305 HydrophobicContact CE2-CZ 3.7Å; N303-F305 WeakPolarHBondContact O-CD1 3.31Å; N303-F305 PolarHBondContact O-N 2.73Å; F305-H368 AromaticContact CE1-CD2 3.91Å; F305-H368 AromaticContact CE1-NE2 3.79Å; F305-L381 HydrophobicContact CB-CD1 4.14Å; F305-L381 HydrophobicContact CD2-CD1 4.07Å; F305-L381 HydrophobicContact CE2-CB 4.49Å; F305-L381 HydrophobicContact CG-CD1 4.21Å |
| 306 | E | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.1 | 179.1 | -171.7 | 167.6 | 100.3 | 0 | 0 | 111.9 | K84 S216 N218 P229 Q295 N298 | K84-E306 IonicContact NZ-OE2 3.66Å; K84-E306 PolarHBondContact NZ-OE2 2.84Å; S216-E306 WeakPolarHBondContact CB-OE2 3.39Å; S216-E306 VanDerWaalsContact O-CA 3.25Å; S216-E306 WeakPolarHBondContact O-CA 3.17Å; S216-E306 PolarHBondContact OG-OE2 3.47Å; N218-E306 PolarHBondContact ND2-OE1 3.24Å; P229-E306 WeakPolarHBondContact CD-O 3.36Å; Q295-E306 WeakPolarHBondContact CA-OE1 3.28Å; Q295-E306 HydrophobicContact CG-CB 4.47Å; Q295-E306 HydrophobicContact CG-CG 4.49Å; Q295-E306 VanDerWaalsContact CG-O 3.24Å; Q295-E306 WeakPolarHBondContact CG-O 3.44Å; N298-E306 HydrophobicContact CB-CB 3.77Å; N298-E306 PolarHBondContact ND2-OE1 3.25Å; N298-E306 PolarHBondContact ND2-OE2 3.49Å; N298-E306 PolarHBondContact OD1-OE2 3.31Å |
| 307 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 159.1 | 164.9 | 73.3 | 174.1 | 0 | 0 | 0 | 110.8 | S216 A217 N218 N227 F253 L309 Y336 | S216-I307 PolarHBondContact O-N 3.33Å; S216-I307 VanDerWaalsContact O-N 3.13Å; A217-I307 VanDerWaalsContact CA-O 3.25Å; A217-I307 WeakPolarHBondContact CA-O 3.45Å; A217-I307 HydrophobicContact CB-CG1 4.01Å; N218-I307 PolarHBondContact N-O 3.05Å; N218-I307 PolarHBondContact ND2-O 3.27Å; N227-I307 WeakPolarHBondContact O-CB 3.49Å; F253-I307 HydrophobicContact CD1-CG2 3.86Å; F253-I307 HydrophobicContact CE1-CG2 4.27Å; I307-L309 HydrophobicContact CD1-CD2 3.62Å; I307-L309 HydrophobicContact CD1-CG 4.25Å; I307-L309 HydrophobicContact CG1-CD2 4.11Å; I307-L309 HydrophobicContact CG1-CG 4.24Å; I307-Y336 HydrophobicContact CD1-CD2 3.98Å; I307-Y336 HydrophobicContact CD1-CE2 3.26Å; I307-Y336 HydrophobicContact CG1-CE2 3.81Å; I307-Y336 WeakPolarHBondContact CG1-OH 3.28Å |
| 308 | T | 98.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 14.9 Ų | 14.9 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.2 | 175.5 | -60 | 0 | 0 | 0 | 0 | 108.4 | N218 H220 N227 Q295 | N218-T308 PolarHBondContact ND2-OG1 3.47Å; N218-T308 VanDerWaalsContact ND2-OG1 3.12Å; N218-T308 CarbonylContact O-C 3.45Å; N218-T308 WeakPolarHBondContact O-CA 2.99Å; N218-T308 WeakPolarHBondContact OD1-CG2 3.45Å; N218-T308 PolarHBondContact OD1-OG1 3.43Å; H220-T308 HydrophobicContact CB-CG2 4.45Å; N227-T308 WeakPolarHBondContact CA-O 3.38Å; N227-T308 HydrophobicContact CB-CG2 4.36Å; N227-T308 WeakPolarHBondContact CB-O 3.47Å; N227-T308 PolarHBondContact N-O 3.13Å; N227-T308 PolarHBondContact O-N 3.49Å; N227-T308 VanDerWaalsContact O-O 3.12Å; Q295-T308 PolarHBondContact OE1-OG1 2.93Å |
| 309 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 109.8 | -179 | -63.5 | 173.1 | 0 | 0 | 0 | 109.8 | Y85 A217 N218 H220 A226 Y260 I307 L311 | Y85-L309 HydrophobicContact CE1-CD1 4.44Å; A217-L309 HydrophobicContact CB-CD1 3.6Å; A217-L309 HydrophobicContact CB-CG 4.02Å; N218-L309 PolarHBondContact O-N 3.15Å; H220-L309 PolarHBondContact N-O 2.98Å; A226-L309 HydrophobicContact CB-CD2 3.83Å; Y260-L309 HydrophobicContact CD1-CD1 4.3Å; Y260-L309 HydrophobicContact CD1-CD2 3.67Å; Y260-L309 HydrophobicContact CD2-CD1 3.52Å; Y260-L309 HydrophobicContact CD2-CD2 4.03Å; Y260-L309 HydrophobicContact CD2-CG 4.42Å; Y260-L309 HydrophobicContact CE1-CD1 4.2Å; Y260-L309 HydrophobicContact CE1-CD2 4.15Å; Y260-L309 HydrophobicContact CE2-CD1 3.38Å; Y260-L309 HydrophobicContact CE2-CD2 4.48Å; Y260-L309 HydrophobicContact CG-CD1 3.99Å; Y260-L309 HydrophobicContact CG-CD2 3.59Å; Y260-L309 HydrophobicContact CG-CG 4.44Å; I307-L309 HydrophobicContact CD1-CD2 3.62Å; I307-L309 HydrophobicContact CD1-CG 4.25Å; I307-L309 HydrophobicContact CG1-CD2 4.11Å; I307-L309 HydrophobicContact CG1-CG 4.24Å; L309-L311 HydrophobicContact CB-CD2 3.75Å; L309-L311 HydrophobicContact CB-CG 4.46Å |
| 310 | E | 98.9 | Very high | 97.7 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.1 | 171.1 | -64.4 | -74.8 | 178.7 | 0 | 0 | 108.3 | H220 G221 A223 V224 V225 M267 W287 | H220-E310 VanDerWaalsContact CB-CD 3.42Å; H220-E310 HydrophobicContact CB-CG 4.36Å; H220-E310 VanDerWaalsContact CB-OE2 3.28Å; H220-E310 WeakPolarHBondContact CB-OE2 3.36Å; G221-E310 WeakPolarHBondContact CA-OE2 3.45Å; G221-E310 PolarHBondContact N-OE2 2.81Å; A223-E310 HydrophobicContact CB-CB 3.93Å; A223-E310 HydrophobicContact CB-CG 4.16Å; A223-E310 CarbonylContact O-C 3.55Å; A223-E310 VanDerWaalsContact O-C 3.3Å; A223-E310 WeakPolarHBondContact O-CB 3.44Å; V224-E310 VanDerWaalsContact CA-O 3.29Å; V224-E310 WeakPolarHBondContact CA-O 3.32Å; V225-E310 HydrophobicContact CG1-CB 3.95Å; V225-E310 HydrophobicContact CG1-CG 4.01Å; V225-E310 PolarHBondContact N-O 2.97Å; V225-E310 VanDerWaalsContact N-O 3.08Å; V225-E310 WeakPolarHBondContact O-CB 3.32Å; V225-E310 PolarHBondContact O-N 3.22Å; M267-E310 VanDerWaalsContact CE-O 3.26Å; M267-E310 WeakPolarHBondContact CE-O 3.39Å; W287-E310 HydrophobicContact CH2-CG 4.06Å; W287-E310 HydrophobicContact CZ3-CG 4Å |
| 311 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -105.9 | -27.2 | -162.9 | -57.3 | -177.6 | 0 | 0 | 0 | 114.4 | L95 L99 L219 H220 A223 Y260 M267 L309 | L95-L311 HydrophobicContact CD2-CB 3.8Å; L95-L311 HydrophobicContact CG-CB 4.38Å; L99-L311 HydrophobicContact CD1-CD1 3.58Å; L219-L311 HydrophobicContact CB-CD1 3.92Å; L219-L311 HydrophobicContact CD2-CD1 3.74Å; L219-L311 HydrophobicContact CG-CD1 3.91Å; H220-L311 PolarHBondContact O-N 3.36Å; A223-L311 PolarHBondContact O-N 3.08Å; Y260-L311 HydrophobicContact CE1-CD2 3.95Å; Y260-L311 WeakPolarHBondContact OH-CD2 3.31Å; M267-L311 HydrophobicContact CE-CD2 4.39Å; L309-L311 HydrophobicContact CB-CD2 3.75Å; L309-L311 HydrophobicContact CB-CG 4.46Å | ||
| 312 | S | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -149.9 | 144.8 | -175.3 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | G222 A223 D314 | G222-S312 PolarHBondContact N-O 2.89Å; A223-S312 PolarHBondContact N-O 2.93Å; A223-S312 CarbonylContact O-C 3.57Å; A223-S312 VanDerWaalsContact O-C 3.28Å; A223-S312 PolarHBondContact O-N 3.45Å; A223-S312 VanDerWaalsContact O-N 3.14Å; A223-S312 VanDerWaalsContact O-O 3.12Å; S312-D314 VanDerWaalsContact CB-O 3.31Å; S312-D314 WeakPolarHBondContact CB-O 3.26Å; S312-D314 PolarHBondContact OG-O 2.87Å | ||
| 313 | C | 95.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 25 Ų | 25 | 42% | 0.419 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -64 | -44.2 | 172.5 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | C273 | C273-C313 WeakPolarHBondContact CA-SG 3.28Å; C273-C313 HydrophobicContact CB-CB 3.73Å; C273-C313 WeakPolarHBondContact CB-SG 3.45Å; C273-C313 PolarHBondContact N-SG 3.28Å; C273-C313 VanDerWaalsContact N-SG 3.4Å; C273-C313 WeakPolarHBondContact SG-CA 3.3Å; C273-C313 WeakPolarHBondContact SG-CB 3.42Å; C273-C313 CovalentContact SG-SG 2.03Å; C273-C313 PolarHBondContact SG-SG 3.25Å |
| 314 | D | 95.6 | Very high | 97.5 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 40% | 0.401 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -76.9 | 122 | 172.1 | -170.2 | -13 | 0 | 0 | 0 | 108.8 | S312 F316 P317 | S312-D314 VanDerWaalsContact CB-O 3.31Å; S312-D314 WeakPolarHBondContact CB-O 3.26Å; S312-D314 PolarHBondContact OG-O 2.87Å; D314-F316 VanDerWaalsContact C-N 3.31Å; D314-F316 VanDerWaalsContact OD1-C 3.31Å; D314-F316 PolarHBondContact OD1-N 3.33Å; D314-P317 HydrophobicContact CB-CB 4.23Å; D314-P317 WeakPolarHBondContact OD2-CA 3.33Å |
| 315 | K | 96.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -70.3 | -33.7 | -179.1 | -61.8 | -165 | 168 | -152.6 | 0 | 111.5 | N92 E93 V94 Y151 G221 P317 | N92-K315 CarbonylContact O-C 3.58Å; N92-K315 VanDerWaalsContact O-CB 3.29Å; N92-K315 WeakPolarHBondContact O-CB 3.28Å; E93-K315 CarbonylContact C-O 3.3Å; E93-K315 WeakPolarHBondContact CA-O 3.36Å; E93-K315 HydrophobicContact CG-CB 4.12Å; E93-K315 HydrophobicContact CG-CD 3.83Å; E93-K315 HydrophobicContact CG-CG 4.14Å; E93-K315 IonicContact OE1-NZ 3.77Å; E93-K315 PolarHBondContact OE1-NZ 3.42Å; V94-K315 PolarHBondContact N-O 3.49Å; Y151-K315 HydrophobicContact CD2-CD 4.45Å; Y151-K315 HydrophobicContact CE2-CD 4.4Å; Y151-K315 VanDerWaalsContact CE2-CE 3.46Å; Y151-K315 VanDerWaalsContact CZ-CE 3.47Å; G221-K315 VanDerWaalsContact O-CE 3.23Å; G221-K315 WeakPolarHBondContact O-CE 3.18Å; K315-P317 WeakPolarHBondContact O-CD 3.32Å |
| 316 | F | 97.4 | Very high | 97.4 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.022 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -127 | 70.3 | 180 | -157.3 | 143.7 | 0 | 0 | 0 | 108.8 | H29 V94 Y138 A141 A142 S146 N149 D314 | H29-F316 HydrophobicContact CB-CE2 4.48Å; H29-F316 AromaticContact CD2-CE2 3.58Å; H29-F316 AromaticContact CE1-CD2 3.94Å; H29-F316 AromaticContact CE1-CE2 3.63Å; H29-F316 AromaticContact CG-CE2 3.69Å; H29-F316 AromaticContact ND1-CE2 3.72Å; H29-F316 AromaticContact NE2-CD2 3.93Å; H29-F316 AromaticContact NE2-CE2 3.54Å; V94-F316 HydrophobicContact CB-CD1 4.39Å; V94-F316 HydrophobicContact CB-CD2 4.03Å; V94-F316 HydrophobicContact CB-CE2 4.25Å; V94-F316 HydrophobicContact CB-CG 4.1Å; V94-F316 HydrophobicContact CG1-CD2 4.17Å; V94-F316 HydrophobicContact CG1-CE2 3.98Å; V94-F316 HydrophobicContact CG1-CZ 4.33Å; V94-F316 HydrophobicContact CG2-CB 4.25Å; V94-F316 HydrophobicContact CG2-CD1 3.39Å; V94-F316 HydrophobicContact CG2-CD2 3.87Å; V94-F316 HydrophobicContact CG2-CE1 3.55Å; V94-F316 HydrophobicContact CG2-CE2 3.99Å; V94-F316 HydrophobicContact CG2-CG 3.58Å; V94-F316 HydrophobicContact CG2-CZ 3.84Å; Y138-F316 HydrophobicContact CE2-CZ 4.49Å; A141-F316 HydrophobicContact CB-CD1 4.19Å; A141-F316 HydrophobicContact CB-CE1 4.03Å; A142-F316 HydrophobicContact CB-CE1 4.27Å; A142-F316 HydrophobicContact CB-CZ 4.22Å; S146-F316 WeakPolarHBondContact CA-O 3.41Å; S146-F316 WeakPolarHBondContact CB-O 3.31Å; N149-F316 HydrophobicContact CB-CB 4.49Å; N149-F316 HydrophobicContact CB-CD1 4.3Å; N149-F316 WeakPolarHBondContact ND2-CD1 3.34Å; D314-F316 VanDerWaalsContact C-N 3.31Å; D314-F316 VanDerWaalsContact OD1-C 3.31Å; D314-F316 PolarHBondContact OD1-N 3.33Å |
| 317 | P | 96 | Very high | 97.4 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | trans | -64.4 | 149 | -175.2 | 30.8 | -36.4 | 0 | 0 | 0 | 111 | H29 L95 D314 K315 S321 | H29-P317 PolarHBondContact CE1-O 2.81Å; H29-P317 PolarHBondContact NE2-O 3.18Å; L95-P317 HydrophobicContact CB-CG 4.15Å; D314-P317 HydrophobicContact CB-CB 4.23Å; D314-P317 WeakPolarHBondContact OD2-CA 3.33Å; K315-P317 WeakPolarHBondContact O-CD 3.32Å; P317-S321 WeakPolarHBondContact CB-OG 3.31Å | ||
| 318 | P | 95.4 | Very high | 97.4 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | trans | -64.7 | 151.6 | -179.6 | 27.9 | -35.9 | 0 | 0 | 0 | 112 | S320 S321 | P318-S320 PolarHBondContact O-N 3.31Å; P318-S321 PolarHBondContact O-N 3.17Å; P318-S321 PolarHBondContact O-OG 3.42Å | ||
| 319 | E | 95.4 | Very high | 97.4 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -52.4 | -34.4 | -178.1 | -64.6 | -174.5 | 159.2 | 0 | 0 | 113.7 | H29 S321 L322 | H29-E319 WeakPolarHBondContact CD2-CG 3.3Å; H29-E319 IonicContact CD2-OE1 2.74Å; H29-E319 IonicContact CG-OE1 3.25Å; H29-E319 PolarHBondContact N-OE1 2.93Å; H29-E319 WeakPolarHBondContact NE2-CG 3.39Å; H29-E319 PolarHBondContact NE2-N 3.42Å; E319-S321 PolarHBondContact O-N 2.82Å; E319-S321 VanDerWaalsContact O-N 3.16Å; E319-L322 HydrophobicContact CB-CD1 4.42Å; E319-L322 HydrophobicContact CG-CD1 4.47Å; E319-L322 WeakPolarHBondContact O-CB 3.48Å; E319-L322 PolarHBondContact O-N 3.46Å; E319-L322 VanDerWaalsContact O-N 3.13Å |
| 320 | S | 95.7 | Very high | 97.4 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 75% | 0.748 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -62.6 | -19.7 | 179 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | P318 | P318-S320 PolarHBondContact O-N 3.31Š|
| 321 | S | 96.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -91.5 | -21.1 | 176.2 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | P317 P318 E319 P323 R324 E325 | P317-S321 WeakPolarHBondContact CB-OG 3.31Å; P318-S321 PolarHBondContact O-N 3.17Å; P318-S321 PolarHBondContact O-OG 3.42Å; E319-S321 PolarHBondContact O-N 2.82Å; E319-S321 VanDerWaalsContact O-N 3.16Å; S321-P323 VanDerWaalsContact C-N 3.34Å; S321-R324 WeakPolarHBondContact O-CA 3.39Å; S321-R324 WeakPolarHBondContact O-CB 3.31Å; S321-R324 PolarHBondContact O-N 3.4Å; S321-E325 PolarHBondContact O-N 3.09Å |
| 322 | L | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.2 | -39.3 | -176.1 | -63.9 | 178 | 0 | 0 | 0 | 114.1 | F27 L95 E98 E319 R324 E325 W326 | F27-L322 HydrophobicContact CB-CB 3.95Å; F27-L322 HydrophobicContact CD1-CB 3.87Å; F27-L322 HydrophobicContact CG-CB 4.31Å; L95-L322 HydrophobicContact CD1-CD2 3.99Å; E98-L322 HydrophobicContact CB-CD2 4.21Å; E98-L322 HydrophobicContact CG-CD1 4.39Å; E98-L322 HydrophobicContact CG-CD2 4.29Å; E319-L322 HydrophobicContact CB-CD1 4.42Å; E319-L322 HydrophobicContact CG-CD1 4.47Å; E319-L322 WeakPolarHBondContact O-CB 3.48Å; E319-L322 PolarHBondContact O-N 3.46Å; E319-L322 VanDerWaalsContact O-N 3.13Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 PolarHBondContact O-N 3.37Å; L322-E325 PolarHBondContact O-N 3.16Å; L322-W326 WeakPolarHBondContact O-CB 3.46Å; L322-W326 PolarHBondContact O-N 3.22Å |
| 323 | P | 97.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 31% | 0.312 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -41.8 | 175 | -19.7 | 28.9 | 0 | 0 | 0 | 113 | F27 S321 L327 | F27-P323 HydrophobicContact CB-CG 3.82Å; F27-P323 HydrophobicContact CD1-CB 4.5Å; F27-P323 HydrophobicContact CD1-CG 4.31Å; F27-P323 HydrophobicContact CD2-CB 3.85Å; F27-P323 HydrophobicContact CD2-CG 3.59Å; F27-P323 HydrophobicContact CE2-CB 3.91Å; F27-P323 HydrophobicContact CE2-CG 4.19Å; F27-P323 HydrophobicContact CG-CB 4.15Å; F27-P323 HydrophobicContact CG-CG 3.65Å; F27-P323 HydrophobicContact CZ-CB 4.29Å; S321-P323 VanDerWaalsContact C-N 3.34Å; P323-L327 WeakPolarHBondContact O-CG 3.36Å; P323-L327 PolarHBondContact O-N 3.34Å; P323-L327 VanDerWaalsContact O-N 3.1Å |
| 324 | R | 97.9 | Very high | 97.6 | Very high | 166 Ų | 166 | 43.7 Ų | 43.7 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.5 | -44.2 | 178 | 177 | -174.9 | 171.5 | -167.4 | -3.6 | 110.5 | W266 S321 L322 L327 G328 | W266-R324 HydrophobicContact CH2-CG 4.19Å; W266-R324 HydrophobicContact CZ3-CG 4.47Å; S321-R324 WeakPolarHBondContact O-CA 3.39Å; S321-R324 WeakPolarHBondContact O-CB 3.31Å; S321-R324 PolarHBondContact O-N 3.4Å; L322-R324 VanDerWaalsContact C-N 3.34Å; L322-R324 PolarHBondContact O-N 3.37Å; R324-L327 PolarHBondContact O-N 3.4Å; R324-G328 PolarHBondContact O-N 3.03Å |
| 325 | E | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 41 Ų | 41 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 179.4 | -66.3 | -60.6 | 156.4 | 0 | 0 | 111.8 | L95 W266 S321 L322 G328 N329 | L95-E325 HydrophobicContact CD1-CB 3.52Å; L95-E325 HydrophobicContact CD1-CG 3.91Å; L95-E325 HydrophobicContact CD2-CB 3.95Å; L95-E325 HydrophobicContact CD2-CG 3.86Å; L95-E325 HydrophobicContact CG-CB 4.37Å; W266-E325 WeakPolarHBondContact CZ2-OE2 3.25Å; S321-E325 PolarHBondContact O-N 3.09Å; L322-E325 PolarHBondContact O-N 3.16Å; E325-G328 PolarHBondContact O-N 2.79Å; E325-N329 WeakPolarHBondContact O-CB 3.35Å; E325-N329 PolarHBondContact O-N 3.19Å; E325-N329 PolarHBondContact O-ND2 3.16Å |
| 326 | W | 98.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.5 | -50.9 | 173.5 | 167.1 | -110.8 | 0 | 0 | 0 | 112.3 | F27 L99 K102 L103 F106 L322 G328 N329 R330 L333 | F27-W326 HydrophobicContact CE1-CB 3.52Å; F27-W326 AromaticContact CE1-CG 3.86Å; F27-W326 HydrophobicContact CE1-CG 3.86Å; F27-W326 HydrophobicContact CZ-CB 3.98Å; F27-W326 AromaticContact CZ-CD1 3.65Å; F27-W326 AromaticContact CZ-CG 3.96Å; F27-W326 HydrophobicContact CZ-CG 3.96Å; L99-W326 HydrophobicContact CD2-CB 4.11Å; L99-W326 HydrophobicContact CD2-CE3 3.91Å; K102-W326 HydrophobicContact CB-CD2 4.04Å; K102-W326 HydrophobicContact CB-CE3 3.75Å; K102-W326 HydrophobicContact CB-CH2 4.45Å; K102-W326 HydrophobicContact CB-CZ3 3.98Å; L103-W326 HydrophobicContact CB-CH2 4.37Å; L103-W326 HydrophobicContact CB-CZ3 4.16Å; L103-W326 HydrophobicContact CD1-CH2 4.32Å; F106-W326 HydrophobicContact CB-CH2 3.73Å; F106-W326 HydrophobicContact CB-CZ2 3.65Å; F106-W326 HydrophobicContact CD1-CH2 4.2Å; F106-W326 HydrophobicContact CD1-CZ2 4.33Å; F106-W326 AromaticContact CD2-CZ2 3.91Å; F106-W326 HydrophobicContact CD2-CZ2 3.91Å; F106-W326 AromaticContact CG-CH2 3.92Å; F106-W326 HydrophobicContact CG-CH2 3.92Å; F106-W326 AromaticContact CG-CZ2 3.7Å; F106-W326 HydrophobicContact CG-CZ2 3.7Å; L322-W326 WeakPolarHBondContact O-CB 3.46Å; L322-W326 PolarHBondContact O-N 3.22Å; W326-G328 PolarHBondContact O-N 3.19Å; W326-N329 PolarHBondContact O-N 2.96Å; W326-N329 VanDerWaalsContact O-N 3.14Å; W326-R330 HydrophobicContact CD2-CB 4.21Å; W326-R330 HydrophobicContact CE3-CB 4.36Å; W326-R330 HydrophobicContact CH2-CB 4.06Å; W326-R330 HydrophobicContact CH2-CG 3.75Å; W326-R330 HydrophobicContact CZ2-CB 3.9Å; W326-R330 VanDerWaalsContact CZ2-CD 3.48Å; W326-R330 HydrophobicContact CZ2-CG 3.5Å; W326-R330 HydrophobicContact CZ3-CB 4.3Å; W326-R330 HydrophobicContact CZ3-CG 4.45Å; W326-R330 VanDerWaalsContact O-CB 3.31Å; W326-R330 WeakPolarHBondContact O-CB 3.45Å; W326-R330 PolarHBondContact O-N 3.44Å; W326-L333 HydrophobicContact CZ3-CD1 4.14Å |
| 327 | L | 98.5 | Very high | 97.9 | Very high | 107 Ų | 107 | 40.1 Ų | 40.1 | 56% | 0.56 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.1 | -32.6 | 177.4 | -68.6 | 174 | 0 | 0 | 0 | 111.9 | P323 R324 | P323-L327 WeakPolarHBondContact O-CG 3.36Å; P323-L327 PolarHBondContact O-N 3.34Å; P323-L327 VanDerWaalsContact O-N 3.1Å; R324-L327 PolarHBondContact O-N 3.4Å |
| 328 | G | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -32.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H264 S265 R324 E325 W326 | H264-G328 PolarHBondContact CD2-O 2.94Å; S265-G328 PolarHBondContact N-O 2.78Å; S265-G328 VanDerWaalsContact N-O 3.14Å; S265-G328 WeakPolarHBondContact OG-CA 3.49Å; R324-G328 PolarHBondContact O-N 3.03Å; E325-G328 PolarHBondContact O-N 2.79Å; W326-G328 PolarHBondContact O-N 3.19Å |
| 329 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -106.9 | -23.7 | -171.9 | -76.7 | -87.9 | 0 | 0 | 0 | 114.7 | L99 Y260 H264 E325 W326 E331 A332 L333 | L99-N329 HydrophobicContact CD1-CB 3.93Å; L99-N329 HydrophobicContact CD2-CB 4.17Å; Y260-N329 PolarHBondContact OH-OD1 3.45Å; H264-N329 PolarHBondContact CD2-OD1 3.34Å; H264-N329 PolarHBondContact NE2-ND2 2.91Å; H264-N329 VanDerWaalsContact NE2-ND2 3.16Å; H264-N329 PolarHBondContact NE2-OD1 3.33Å; E325-N329 WeakPolarHBondContact O-CB 3.35Å; E325-N329 PolarHBondContact O-N 3.19Å; E325-N329 PolarHBondContact O-ND2 3.16Å; W326-N329 PolarHBondContact O-N 2.96Å; W326-N329 VanDerWaalsContact O-N 3.14Å; N329-E331 VanDerWaalsContact C-N 3.35Å; N329-E331 PolarHBondContact O-N 2.84Å; N329-A332 WeakPolarHBondContact O-CA 3.42Å; N329-A332 WeakPolarHBondContact O-CB 3.37Å; N329-A332 PolarHBondContact O-N 2.89Å; N329-L333 HydrophobicContact CB-CD1 4.28Å; N329-L333 WeakPolarHBondContact O-CG 3.43Å; N329-L333 PolarHBondContact O-N 3.05Å |
| 330 | R | 98.7 | Very high | 98.4 | Very high | 92 Ų | 92 | 37 Ų | 37 | 35% | 0.347 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -51.6 | -50 | -172.3 | 178.3 | -175.4 | 68.5 | 179.3 | -1.4 | 112.9 | F106 W326 A332 L333 I334 | F106-R330 HydrophobicContact CE1-CG 4.36Å; F106-R330 HydrophobicContact CE2-CG 4.47Å; F106-R330 HydrophobicContact CZ-CG 4.24Å; W326-R330 HydrophobicContact CD2-CB 4.21Å; W326-R330 HydrophobicContact CE3-CB 4.36Å; W326-R330 HydrophobicContact CH2-CB 4.06Å; W326-R330 HydrophobicContact CH2-CG 3.75Å; W326-R330 HydrophobicContact CZ2-CB 3.9Å; W326-R330 VanDerWaalsContact CZ2-CD 3.48Å; W326-R330 HydrophobicContact CZ2-CG 3.5Å; W326-R330 HydrophobicContact CZ3-CB 4.3Å; W326-R330 HydrophobicContact CZ3-CG 4.45Å; W326-R330 VanDerWaalsContact O-CB 3.31Å; W326-R330 WeakPolarHBondContact O-CB 3.45Å; W326-R330 PolarHBondContact O-N 3.44Å; R330-A332 VanDerWaalsContact C-N 3.32Å; R330-A332 PolarHBondContact O-N 2.96Å; R330-L333 PolarHBondContact O-N 3.24Å; R330-I334 WeakPolarHBondContact O-CG1 3.27Å; R330-I334 PolarHBondContact O-N 3.09Å |
| 331 | E | 98.8 | Very high | 98.5 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 37% | 0.369 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.2 | -36.8 | -179.8 | -176 | 54 | -137.1 | 0 | 0 | 111.9 | R117 A263 N329 S335 | R117-E331 IonicContact CZ-OE1 3.52Å; R117-E331 VanDerWaalsContact CZ-OE1 3.27Å; R117-E331 IonicContact CZ-OE2 2.77Å; R117-E331 VanDerWaalsContact NH1-CD 3.27Å; R117-E331 IonicContact NH1-OE1 3.43Å; R117-E331 PolarHBondContact NH1-OE1 3.25Å; R117-E331 IonicContact NH1-OE2 2.86Å; R117-E331 PolarHBondContact NH1-OE2 2.79Å; R117-E331 IonicContact NH2-OE1 3.83Å; R117-E331 PolarHBondContact NH2-OE1 3Å; A263-E331 HydrophobicContact CB-CG 4.44Å; N329-E331 VanDerWaalsContact C-N 3.35Å; N329-E331 PolarHBondContact O-N 2.84Å; E331-S335 WeakPolarHBondContact O-CB 3.49Å; E331-S335 PolarHBondContact O-N 3.03Å; E331-S335 PolarHBondContact O-OG 3.19Å; E331-S335 PolarHBondContact OE1-OG 2.83Å |
| 332 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y260 A263 H264 N329 R330 Y336 | Y260-A332 HydrophobicContact CD1-CB 3.96Å; Y260-A332 HydrophobicContact CD2-CB 3.82Å; Y260-A332 WeakPolarHBondContact CD2-O 3.44Å; Y260-A332 HydrophobicContact CE1-CB 3.84Å; Y260-A332 HydrophobicContact CE2-CB 3.7Å; Y260-A332 HydrophobicContact CG-CB 3.95Å; Y260-A332 WeakPolarHBondContact O-CB 3.19Å; A263-A332 HydrophobicContact CB-CB 3.94Å; H264-A332 HydrophobicContact CB-CB 4.07Å; N329-A332 WeakPolarHBondContact O-CA 3.42Å; N329-A332 WeakPolarHBondContact O-CB 3.37Å; N329-A332 PolarHBondContact O-N 2.89Å; R330-A332 VanDerWaalsContact C-N 3.32Å; R330-A332 PolarHBondContact O-N 2.96Å; A332-Y336 WeakPolarHBondContact O-CB 3.25Å; A332-Y336 PolarHBondContact O-N 2.86Å |
| 333 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 175.8 | -71.3 | 164.8 | 0 | 0 | 0 | 111.1 | Y85 L99 L103 L219 Y260 W326 N329 R330 L337 | Y85-L333 HydrophobicContact CE1-CD2 4.11Å; Y85-L333 HydrophobicContact CE2-CB 4.46Å; Y85-L333 HydrophobicContact CE2-CD2 3.9Å; Y85-L333 WeakPolarHBondContact OH-CA 3.5Å; Y85-L333 PolarHBondContact OH-O 3.47Å; L99-L333 HydrophobicContact CB-CD1 4.4Å; L103-L333 HydrophobicContact CD2-CB 4.45Å; L219-L333 HydrophobicContact CD2-CD2 4.35Å; Y260-L333 HydrophobicContact CE2-CD2 3.98Å; Y260-L333 HydrophobicContact CE2-CG 4.18Å; W326-L333 HydrophobicContact CZ3-CD1 4.14Å; N329-L333 HydrophobicContact CB-CD1 4.28Å; N329-L333 WeakPolarHBondContact O-CG 3.43Å; N329-L333 PolarHBondContact O-N 3.05Å; R330-L333 PolarHBondContact O-N 3.24Å; L333-L337 WeakPolarHBondContact O-CB 3.44Å; L333-L337 PolarHBondContact O-N 3.5Å; L333-L337 VanDerWaalsContact O-N 3.14Å |
| 334 | I | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.8 | -47.6 | 178.3 | -58.7 | -60.4 | 0 | 0 | 0 | 111 | L103 F106 L107 R117 I118 L121 R330 Y336 L337 E338 | L103-I334 HydrophobicContact CD1-CD1 3.79Å; F106-I334 HydrophobicContact CD1-CD1 4.36Å; F106-I334 HydrophobicContact CE1-CD1 3.96Å; F106-I334 HydrophobicContact CE1-CG1 4.06Å; L107-I334 HydrophobicContact CD2-CD1 4.02Å; R117-I334 VanDerWaalsContact CZ-CG2 3.47Å; I118-I334 HydrophobicContact CD1-CD1 3.94Å; I118-I334 HydrophobicContact CD1-CG1 4.41Å; I118-I334 HydrophobicContact CD1-CG2 4.31Å; L121-I334 HydrophobicContact CD2-CD1 4.34Å; L121-I334 HydrophobicContact CD2-CG2 4.01Å; R330-I334 WeakPolarHBondContact O-CG1 3.27Å; R330-I334 PolarHBondContact O-N 3.09Å; I334-Y336 VanDerWaalsContact C-N 3.27Å; I334-Y336 PolarHBondContact O-N 2.88Å; I334-L337 PolarHBondContact O-N 3.48Å; I334-E338 HydrophobicContact CG2-CG 4.47Å; I334-E338 WeakPolarHBondContact O-CG 3.46Å; I334-E338 PolarHBondContact O-N 3.05Å |
| 335 | S | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 13% | 0.133 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -36.2 | -179.3 | -68.6 | 0 | 0 | 0 | 0 | 113.2 | T259 E331 E338 Q339 | T259-S335 WeakPolarHBondContact CG2-O 3.18Å; E331-S335 WeakPolarHBondContact O-CB 3.49Å; E331-S335 PolarHBondContact O-N 3.03Å; E331-S335 PolarHBondContact O-OG 3.19Å; E331-S335 PolarHBondContact OE1-OG 2.83Å; S335-E338 WeakPolarHBondContact CA-OE2 3.38Å; S335-Q339 WeakPolarHBondContact O-CG 3.08Å; S335-Q339 PolarHBondContact O-NE2 3.37Å |
| 336 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.1 | -43.4 | 176.7 | -179.9 | -91.7 | 0 | 0 | 0 | 112.1 | F83 Y85 L215 S216 A217 L256 Y260 I307 A332 I334 E338 Q339 | F83-Y336 AromaticContact CE2-CD1 3.91Å; F83-Y336 HydrophobicContact CE2-CD1 3.91Å; F83-Y336 AromaticContact CE2-CE1 3.78Å; F83-Y336 HydrophobicContact CE2-CE1 3.78Å; F83-Y336 AromaticContact CZ-CD1 3.94Å; F83-Y336 HydrophobicContact CZ-CD1 3.94Å; F83-Y336 AromaticContact CZ-CE1 4Å; F83-Y336 HydrophobicContact CZ-CE1 4Å; Y85-Y336 HydrophobicContact CE1-CD1 4.01Å; Y85-Y336 HydrophobicContact CE1-CE1 4.35Å; Y85-Y336 AromaticContact CZ-CD1 3.9Å; Y85-Y336 VanDerWaalsContact OH-CD1 3.25Å; Y85-Y336 WeakPolarHBondContact OH-CD1 3.3Å; L215-Y336 HydrophobicContact CD1-CE1 4.36Å; L215-Y336 WeakPolarHBondContact CD1-OH 3.4Å; L215-Y336 HydrophobicContact CD2-CD1 4.49Å; L215-Y336 HydrophobicContact CD2-CE1 4.03Å; L215-Y336 WeakPolarHBondContact CD2-O 3.2Å; L215-Y336 HydrophobicContact CG-CE1 3.95Å; S216-Y336 PolarHBondContact O-OH 2.89Å; A217-Y336 HydrophobicContact CB-CD1 4.4Å; A217-Y336 HydrophobicContact CB-CE1 3.77Å; L256-Y336 HydrophobicContact CB-CE2 4.1Å; Y260-Y336 HydrophobicContact CD2-CG 4.25Å; I307-Y336 HydrophobicContact CD1-CD2 3.98Å; I307-Y336 HydrophobicContact CD1-CE2 3.26Å; I307-Y336 HydrophobicContact CG1-CE2 3.81Å; I307-Y336 WeakPolarHBondContact CG1-OH 3.28Å; A332-Y336 WeakPolarHBondContact O-CB 3.25Å; A332-Y336 PolarHBondContact O-N 2.86Å; I334-Y336 VanDerWaalsContact C-N 3.27Å; I334-Y336 PolarHBondContact O-N 2.88Å; Y336-E338 VanDerWaalsContact C-N 3.28Å; Y336-E338 PolarHBondContact O-N 3.27Å; Y336-Q339 VanDerWaalsContact O-CB 3.26Å; Y336-Q339 WeakPolarHBondContact O-CB 3.29Å; Y336-Q339 WeakPolarHBondContact O-CG 3.34Å; Y336-Q339 PolarHBondContact O-N 2.9Å |
| 337 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 175.9 | -165 | 164.2 | 0 | 0 | 0 | 110.7 | F83 L121 T125 I127 L333 I334 Q339 V340 | F83-L337 HydrophobicContact CD1-CD1 3.98Å; F83-L337 HydrophobicContact CD1-CG 3.73Å; F83-L337 HydrophobicContact CD2-CG 4.1Å; F83-L337 HydrophobicContact CE1-CB 4.35Å; F83-L337 HydrophobicContact CE1-CD1 3.98Å; F83-L337 HydrophobicContact CE1-CG 3.8Å; F83-L337 HydrophobicContact CE2-CB 4.27Å; F83-L337 HydrophobicContact CE2-CG 4.16Å; F83-L337 HydrophobicContact CG-CD2 4.44Å; F83-L337 HydrophobicContact CG-CG 3.9Å; F83-L337 HydrophobicContact CZ-CB 4.14Å; F83-L337 HydrophobicContact CZ-CG 4.03Å; L121-L337 HydrophobicContact CD1-CD2 3.52Å; L121-L337 HydrophobicContact CD2-CD1 4.36Å; L121-L337 HydrophobicContact CD2-CD2 3.9Å; L121-L337 HydrophobicContact CG-CD2 3.68Å; T125-L337 HydrophobicContact CG2-CD2 4.15Å; I127-L337 HydrophobicContact CD1-CD1 3.81Å; I127-L337 HydrophobicContact CD1-CD2 4.06Å; I127-L337 HydrophobicContact CG1-CD1 4.01Å; I127-L337 HydrophobicContact CG1-CD2 4.11Å; I127-L337 HydrophobicContact CG2-CD1 3.82Å; L333-L337 WeakPolarHBondContact O-CB 3.44Å; L333-L337 PolarHBondContact O-N 3.5Å; L333-L337 VanDerWaalsContact O-N 3.14Å; I334-L337 PolarHBondContact O-N 3.48Å; L337-Q339 PolarHBondContact O-N 3.08Å; L337-V340 WeakPolarHBondContact O-CB 3.23Å; L337-V340 VanDerWaalsContact O-CG1 3.23Å; L337-V340 WeakPolarHBondContact O-CG1 3.39Å; L337-V340 PolarHBondContact O-N 2.85Å; L337-V340 VanDerWaalsContact O-N 3.07Å |
| 338 | E | 98.8 | Very high | 98.8 | Very high | 52 Ų | 52 | 19.9 Ų | 19.9 | 24% | 0.243 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -57.1 | -22.8 | 176.7 | -71.6 | 169.7 | 155.1 | 0 | 0 | 113.7 | R117 L121 I334 S335 Y336 V340 H341 | R117-E338 WeakPolarHBondContact CG-OE1 3.4Å; R117-E338 IonicContact CZ-OE1 2.88Å; R117-E338 IonicContact CZ-OE2 2.83Å; R117-E338 IonicContact NE-OE1 3.93Å; R117-E338 PolarHBondContact NE-OE1 3.21Å; R117-E338 IonicContact NE-OE2 3.44Å; R117-E338 IonicContact NH2-OE1 3.27Å; R117-E338 PolarHBondContact NH2-OE1 3.17Å; R117-E338 IonicContact NH2-OE2 2.79Å; R117-E338 PolarHBondContact NH2-OE2 3.19Å; L121-E338 HydrophobicContact CD1-CG 3.67Å; I334-E338 HydrophobicContact CG2-CG 4.47Å; I334-E338 WeakPolarHBondContact O-CG 3.46Å; I334-E338 PolarHBondContact O-N 3.05Å; S335-E338 WeakPolarHBondContact CA-OE2 3.38Å; Y336-E338 VanDerWaalsContact C-N 3.28Å; Y336-E338 PolarHBondContact O-N 3.27Å; E338-V340 PolarHBondContact O-N 2.72Å; E338-V340 VanDerWaalsContact O-N 3.15Å; E338-H341 PolarHBondContact O-CD2 3.33Å; E338-H341 PolarHBondContact O-N 3.21Å |
| 339 | Q | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 12% | 0.117 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -65.6 | -16.2 | 177.8 | -59.5 | -56 | -71.8 | 0 | 0 | 113.5 | L215 L256 T259 S335 Y336 L337 H341 H342 | L215-Q339 HydrophobicContact CD2-CB 3.8Å; L256-Q339 HydrophobicContact CD2-CB 3.52Å; L256-Q339 HydrophobicContact CD2-CG 3.93Å; T259-Q339 HydrophobicContact CG2-CG 3.72Å; S335-Q339 WeakPolarHBondContact O-CG 3.08Å; S335-Q339 PolarHBondContact O-NE2 3.37Å; Y336-Q339 VanDerWaalsContact O-CB 3.26Å; Y336-Q339 WeakPolarHBondContact O-CB 3.29Å; Y336-Q339 WeakPolarHBondContact O-CG 3.34Å; Y336-Q339 PolarHBondContact O-N 2.9Å; L337-Q339 PolarHBondContact O-N 3.08Å; Q339-H341 PolarHBondContact O-N 2.86Å; Q339-H341 VanDerWaalsContact O-N 3.17Å; Q339-H342 PolarHBondContact O-N 2.72Å; Q339-H342 PolarHBondContact OE1-CE1 3.07Å; Q339-H342 PolarHBondContact OE1-ND1 3.32Å; Q339-H342 VanDerWaalsContact OE1-ND1 3.1Å |
| 340 | V | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 22.7 Ų | 22.7 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -61.9 | -20.6 | 176 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | P81 F83 T125 V214 L215 L337 E338 | P81-V340 HydrophobicContact CB-CG1 4.4Å; P81-V340 HydrophobicContact CB-CG2 3.62Å; P81-V340 HydrophobicContact CG-CG1 3.93Å; P81-V340 HydrophobicContact CG-CG2 4.09Å; F83-V340 HydrophobicContact CD2-CB 4.33Å; T125-V340 HydrophobicContact CG2-CG1 3.92Å; V214-V340 HydrophobicContact CB-CG2 3.76Å; V214-V340 HydrophobicContact CG1-CG2 3.86Å; L215-V340 HydrophobicContact CB-CB 4.1Å; L215-V340 HydrophobicContact CB-CG2 3.83Å; L215-V340 HydrophobicContact CD2-CB 4.13Å; L337-V340 WeakPolarHBondContact O-CB 3.23Å; L337-V340 VanDerWaalsContact O-CG1 3.23Å; L337-V340 WeakPolarHBondContact O-CG1 3.39Å; L337-V340 PolarHBondContact O-N 2.85Å; L337-V340 VanDerWaalsContact O-N 3.07Å; E338-V340 PolarHBondContact O-N 2.72Å; E338-V340 VanDerWaalsContact O-N 3.15Å |
| 341 | H | 98.7 | Very high | 98.4 | Very high | 33 Ų | 33 | 23.3 Ų | 23.3 | 15% | 0.153 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -91.6 | 13.5 | 179.2 | -54.4 | -66.1 | 0 | 0 | 0 | 114.4 | D124 T125 E338 Q339 E409 A410 | D124-H341 PolarHBondContact O-CE1 3.37Å; D124-H341 VanDerWaalsContact O-CE1 3.26Å; T125-H341 PolarHBondContact OG1-CE1 3.42Å; T125-H341 PolarHBondContact OG1-NE2 3.46Å; E338-H341 PolarHBondContact O-CD2 3.33Å; E338-H341 PolarHBondContact O-N 3.21Å; Q339-H341 PolarHBondContact O-N 2.86Å; Q339-H341 VanDerWaalsContact O-N 3.17Å; H341-E409 CarbonylContact O-C 3.48Å; H341-E409 WeakPolarHBondContact O-CA 3.23Å; H341-A410 WeakPolarHBondContact O-CA 3.42Å; H341-A410 VanDerWaalsContact O-CB 3.26Å; H341-A410 WeakPolarHBondContact O-CB 3.06Å; H341-A410 PolarHBondContact O-N 3.08Å |
| 342 | H | 98.1 | Very high | 98.2 | Very high | 58 Ų | 58 | 24.2 Ų | 24.2 | 27% | 0.269 | 12% | 0.117 | S | C | . | . | trans | -100.4 | 158.8 | 178.6 | -70.6 | 171.1 | 0 | 0 | 0 | 113 | Q339 L381 A408 | Q339-H342 PolarHBondContact O-N 2.72Å; Q339-H342 PolarHBondContact OE1-CE1 3.07Å; Q339-H342 PolarHBondContact OE1-ND1 3.32Å; Q339-H342 VanDerWaalsContact OE1-ND1 3.1Å; H342-L381 WeakPolarHBondContact O-CD2 3.39Å; H342-A408 PolarHBondContact CD2-O 3.3Å; H342-A408 VanDerWaalsContact CD2-O 3.31Å | ||
| 343 | G | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 94.1 | -125 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A410 I411 | G343-A410 VanDerWaalsContact O-CA 3.26Å; G343-A410 WeakPolarHBondContact O-CA 3.45Å; G343-I411 PolarHBondContact O-N 3.02Å |
| 344 | I | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 148.7 | 177.2 | 63 | 176.6 | 0 | 0 | 0 | 110.7 | Y378 R380 L382 V389 V403 V405 I411 L413 | I344-Y378 HydrophobicContact CD1-CE2 4.05Å; I344-Y378 HydrophobicContact CG1-CE2 4.07Å; I344-R380 HydrophobicContact CD1-CB 4.18Å; I344-R380 HydrophobicContact CG1-CB 3.69Å; I344-R380 HydrophobicContact CG1-CG 4.38Å; I344-R380 PolarHBondContact N-O 2.74Å; I344-R380 PolarHBondContact O-N 2.91Å; I344-L382 HydrophobicContact CD1-CD1 4.1Å; I344-L382 HydrophobicContact CG1-CD1 4.11Å; I344-L382 HydrophobicContact CG2-CD1 4.41Å; I344-V389 HydrophobicContact CD1-CB 4.49Å; I344-V389 HydrophobicContact CD1-CG1 3.97Å; I344-V389 HydrophobicContact CD1-CG2 3.84Å; I344-V403 HydrophobicContact CG2-CG1 4.09Å; I344-V403 HydrophobicContact CG2-CG2 4.26Å; I344-V405 HydrophobicContact CG2-CG2 3.6Å; I344-I411 VanDerWaalsContact CA-O 3.29Å; I344-I411 WeakPolarHBondContact CA-O 3.41Å; I344-I411 HydrophobicContact CG2-CB 4.32Å; I344-L413 HydrophobicContact CD1-CD2 4.26Å |
| 345 | K | 98.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 36.6 Ų | 36.6 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.8 | 168.5 | 64.2 | -179.7 | -177.6 | 175.2 | 0 | 109.9 | L79 Y378 F379 A410 I411 Q412 L413 | L79-K345 HydrophobicContact CB-CD 4.33Å; L79-K345 PolarHBondContact O-NZ 2.86Å; K345-Y378 CarbonylContact C-O 3.42Å; K345-Y378 WeakPolarHBondContact CA-O 3.4Å; K345-Y378 WeakPolarHBondContact CB-O 3.35Å; K345-F379 HydrophobicContact CB-CD1 3.66Å; K345-F379 HydrophobicContact CB-CE1 4.08Å; K345-F379 HydrophobicContact CB-CG 4.46Å; K345-F379 HydrophobicContact CD-CD1 4.14Å; K345-F379 HydrophobicContact CD-CE1 3.94Å; K345-A410 HydrophobicContact CD-CB 4.49Å; K345-A410 HydrophobicContact CG-CB 4.19Å; K345-I411 PolarHBondContact N-O 2.88Å; K345-Q412 HydrophobicContact CG-CG 4.32Å; K345-Q412 CarbonylContact O-C 3.41Å; K345-Q412 WeakPolarHBondContact O-CA 3.29Å; K345-L413 PolarHBondContact O-N 2.77Å |
| 346 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -175.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L79 D377 Y378 | L79-G346 VanDerWaalsContact CD2-C 3.46Å; L79-G346 WeakPolarHBondContact CD2-O 3.45Å; G346-D377 CarbonylContact O-C 3.41Å; G346-D377 WeakPolarHBondContact O-CA 3.38Å; G346-Y378 VanDerWaalsContact C-CD1 3.5Å; G346-Y378 PolarHBondContact N-O 2.96Å; G346-Y378 WeakPolarHBondContact O-CD1 3.23Å; G346-Y378 PolarHBondContact O-N 3.49Å |
| 347 | M | 98.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 144.7 | 179.7 | -54.8 | -66 | -67.1 | 0 | 0 | 109 | A78 L79 Y349 D375 G376 D377 H414 F415 | A78-M347 HydrophobicContact CB-CE 4.08Å; A78-M347 HydrophobicContact CB-SD 4.08Å; L79-M347 HydrophobicContact CD1-CG 4.46Å; L79-M347 HydrophobicContact CD2-CG 4Å; L79-M347 HydrophobicContact CD2-SD 3.69Å; L79-M347 HydrophobicContact CG-CG 4.35Å; L79-M347 HydrophobicContact CG-SD 3.92Å; M347-Y349 HydrophobicContact CB-CD2 3.99Å; M347-Y349 HydrophobicContact CB-CE1 4.08Å; M347-Y349 HydrophobicContact CB-CE2 3.33Å; M347-Y349 HydrophobicContact CE-CE1 4.32Å; M347-Y349 HydrophobicContact CG-CE2 4.02Å; M347-Y349 WeakPolarHBondContact CG-OH 3.26Å; M347-D375 WeakPolarHBondContact CE-O 3.29Å; M347-G376 CarbonylContact C-O 3.57Å; M347-G376 WeakPolarHBondContact CA-O 3.31Å; M347-D377 HydrophobicContact CE-CB 4.15Å; M347-D377 VanDerWaalsContact SD-CA 3.59Å; M347-D377 HydrophobicContact SD-CB 3.38Å; M347-D377 WeakPolarHBondContact SD-CB 3.41Å; M347-H414 WeakPolarHBondContact CB-ND1 3.49Å; M347-H414 WeakPolarHBondContact CG-ND1 3.28Å; M347-H414 PolarHBondContact N-ND1 2.97Å; M347-H414 CarbonylContact O-C 3.58Å; M347-H414 VanDerWaalsContact O-CA 3.26Å; M347-H414 WeakPolarHBondContact O-CA 3.04Å; M347-F415 PolarHBondContact O-N 2.91Å |
| 348 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.1 | 168.3 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | P355 I356 A359 I361 T372 G376 Y378 A391 F415 L417 | V348-P355 CarbonylContact O-C 3.36Å; V348-P355 WeakPolarHBondContact O-CA 3.31Å; V348-I356 HydrophobicContact CG1-CB 4.2Å; V348-I356 HydrophobicContact CG1-CD1 4.29Å; V348-I356 PolarHBondContact O-N 3.08Å; V348-A359 HydrophobicContact CB-CB 4.08Å; V348-A359 HydrophobicContact CG1-CB 3.84Å; V348-A359 HydrophobicContact CG2-CB 4.1Å; V348-I361 HydrophobicContact CG2-CD1 3.74Å; V348-T372 HydrophobicContact CB-CG2 3.93Å; V348-T372 HydrophobicContact CG2-CG2 3.43Å; V348-T372 VanDerWaalsContact CG2-CG2 3.43Å; V348-G376 PolarHBondContact N-O 2.96Å; V348-Y378 HydrophobicContact CG2-CD1 4.22Å; V348-A391 HydrophobicContact CG2-CB 4.36Å; V348-F415 WeakPolarHBondContact CA-O 3.47Å; V348-F415 HydrophobicContact CG1-CB 4.35Å; V348-F415 HydrophobicContact CG2-CB 4.34Å; V348-L417 HydrophobicContact CG1-CD1 3.68Å; V348-L417 HydrophobicContact CG1-CG 3.83Å |
| 349 | Y | 98.4 | Very high | 97.7 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 20% | 0.2 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 155.1 | -177.9 | -63.3 | -67.4 | 0 | 0 | 0 | 112.3 | M347 N353 N354 F415 Y416 L417 | M347-Y349 HydrophobicContact CB-CD2 3.99Å; M347-Y349 HydrophobicContact CB-CE1 4.08Å; M347-Y349 HydrophobicContact CB-CE2 3.33Å; M347-Y349 HydrophobicContact CE-CE1 4.32Å; M347-Y349 HydrophobicContact CG-CE2 4.02Å; M347-Y349 WeakPolarHBondContact CG-OH 3.26Å; Y349-N353 WeakPolarHBondContact CD1-O 3.44Å; Y349-N354 CarbonylContact C-O 3.57Å; Y349-N354 VanDerWaalsContact CA-O 3.29Å; Y349-N354 WeakPolarHBondContact CA-O 3.45Å; Y349-F415 PolarHBondContact N-O 3.45Å; Y349-Y416 HydrophobicContact CD2-CD1 4.07Å; Y349-Y416 AromaticContact CD2-CE1 3.52Å; Y349-Y416 HydrophobicContact CD2-CE1 3.52Å; Y349-Y416 AromaticContact CD2-CZ 3.8Å; Y349-Y416 HydrophobicContact CE2-CE1 4.33Å; Y349-Y416 HydrophobicContact CG-CD1 4.31Å; Y349-Y416 HydrophobicContact CG-CE1 4.06Å; Y349-Y416 CarbonylContact O-C 3.52Å; Y349-Y416 WeakPolarHBondContact O-CA 3.38Å; Y349-L417 PolarHBondContact O-N 3Å |
| 350 | D | 96.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | trans | -81.8 | -179.1 | 162.4 | 78.1 | 4 | 0 | 0 | 0 | 112.2 | N352 N353 N354 I356 Y396 | D350-N352 PolarHBondContact O-N 2.81Å; D350-N352 VanDerWaalsContact OD1-C 3.31Å; D350-N352 VanDerWaalsContact OD1-CA 3.3Å; D350-N352 WeakPolarHBondContact OD1-CA 3.38Å; D350-N352 WeakPolarHBondContact OD1-CB 3.41Å; D350-N352 PolarHBondContact OD1-N 3.14Å; D350-N353 PolarHBondContact O-N 3.26Å; D350-N353 VanDerWaalsContact O-N 3.15Å; D350-N353 PolarHBondContact OD1-N 3.48Å; D350-N353 VanDerWaalsContact OD1-N 3.15Å; D350-N354 PolarHBondContact N-O 2.87Å; D350-N354 PolarHBondContact OD1-N 2.99Å; D350-N354 PolarHBondContact OD1-ND2 3.25Å; D350-N354 PolarHBondContact OD2-ND2 3.22Å; D350-N354 VanDerWaalsContact OD2-ND2 3.12Å; D350-I356 HydrophobicContact CB-CD1 3.98Å; D350-I356 HydrophobicContact CB-CG1 4.19Å; D350-Y396 HydrophobicContact CB-CE1 3.65Å | ||
| 351 | E | 92.8 | Very high | 97.7 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13.3 | 178 | 66.9 | -159.5 | 159 | 0 | 0 | 115 | L417 K419 | E351-L417 PolarHBondContact N-O 3.02Å; E351-K419 WeakPolarHBondContact OE1-CD 3.15Å |
| 352 | N | 94.6 | Very high | 97.7 | Very high | 98 Ų | 98 | 47.1 Ų | 47.1 | 52% | 0.524 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 12.4 | 177.6 | -52.2 | -63.8 | 0 | 0 | 0 | 112.1 | D350 N354 | D350-N352 PolarHBondContact O-N 2.81Å; D350-N352 VanDerWaalsContact OD1-C 3.31Å; D350-N352 VanDerWaalsContact OD1-CA 3.3Å; D350-N352 WeakPolarHBondContact OD1-CA 3.38Å; D350-N352 WeakPolarHBondContact OD1-CB 3.41Å; D350-N352 PolarHBondContact OD1-N 3.14Å; N352-N354 PolarHBondContact O-N 3.01Å |
| 353 | N | 95.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 44.4 Ų | 44.4 | 58% | 0.578 | 23% | 0.228 | S | C | * | . | S | Bend | trans | 63.7 | 21.5 | -175 | -53.6 | -45.9 | 0 | 0 | 0 | 114.7 | Y349 D350 | Y349-N353 WeakPolarHBondContact CD1-O 3.44Å; D350-N353 PolarHBondContact O-N 3.26Å; D350-N353 VanDerWaalsContact O-N 3.15Å; D350-N353 PolarHBondContact OD1-N 3.48Å; D350-N353 VanDerWaalsContact OD1-N 3.15Å |
| 354 | N | 96.9 | Very high | 97.7 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | trans | -80.7 | 138.1 | 169.6 | -55.1 | -58.9 | 0 | 0 | 0 | 109.8 | Y349 D350 N352 | Y349-N354 CarbonylContact C-O 3.57Å; Y349-N354 VanDerWaalsContact CA-O 3.29Å; Y349-N354 WeakPolarHBondContact CA-O 3.45Å; D350-N354 PolarHBondContact N-O 2.87Å; D350-N354 PolarHBondContact OD1-N 2.99Å; D350-N354 PolarHBondContact OD1-ND2 3.25Å; D350-N354 PolarHBondContact OD2-ND2 3.22Å; D350-N354 VanDerWaalsContact OD2-ND2 3.12Å; N352-N354 PolarHBondContact O-N 3.01Å | ||
| 355 | P | 97.8 | Very high | 97.6 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -64.7 | 144.5 | 175.7 | 25.5 | -32.6 | 0 | 0 | 0 | 112 | V348 D375 | V348-P355 CarbonylContact O-C 3.36Å; V348-P355 WeakPolarHBondContact O-CA 3.31Å; P355-D375 WeakPolarHBondContact CB-O 3.44Å |
| 356 | I | 98.3 | Very high | 97.6 | Very high | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | trans | -110.7 | 106.4 | 177.5 | -56 | 178 | 0 | 0 | 0 | 108.7 | V348 D350 A359 T372 G376 A393 Y396 L417 | V348-I356 HydrophobicContact CG1-CB 4.2Å; V348-I356 HydrophobicContact CG1-CD1 4.29Å; V348-I356 PolarHBondContact O-N 3.08Å; D350-I356 HydrophobicContact CB-CD1 3.98Å; D350-I356 HydrophobicContact CB-CG1 4.19Å; I356-A359 HydrophobicContact CG2-CB 4.15Å; I356-T372 PolarHBondContact O-OG1 3.44Å; I356-G376 WeakPolarHBondContact O-CA 3.19Å; I356-A393 HydrophobicContact CG2-CB 3.77Å; I356-Y396 HydrophobicContact CD1-CD1 3.94Å; I356-Y396 HydrophobicContact CD1-CD2 4.25Å; I356-Y396 HydrophobicContact CD1-CE1 3.67Å; I356-Y396 HydrophobicContact CD1-CE2 4.01Å; I356-Y396 HydrophobicContact CD1-CG 4.23Å; I356-L417 HydrophobicContact CD1-CB 4.13Å; I356-L417 HydrophobicContact CD1-CD1 4.19Å; I356-L417 HydrophobicContact CD1-CG 4.39Å | ||
| 357 | S | 97.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 151.5 | 171.2 | 69.6 | 0 | 0 | 0 | 0 | 112.3 | A359 T372 G373 | S357-A359 PolarHBondContact O-N 2.67Å; S357-T372 VanDerWaalsContact C-OG1 3.26Å; S357-T372 WeakPolarHBondContact CA-OG1 3.12Å; S357-G373 VanDerWaalsContact CA-O 3.26Å; S357-G373 WeakPolarHBondContact CA-O 3.33Å; S357-G373 WeakPolarHBondContact CB-O 3.21Å |
| 358 | K | 97.8 | Very high | 97.6 | Very high | 162 Ų | 162 | 53.8 Ų | 53.8 | 70% | 0.704 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 25.3 | 177.2 | -53 | -178.4 | 179.9 | -179 | 0 | 114.3 | T372 | K358-T372 PolarHBondContact N-O 3.14Å; K358-T372 PolarHBondContact N-OG1 3.08Å |
| 359 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -72 | 139.9 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | V348 I356 S357 T371 T372 S392 A393 | V348-A359 HydrophobicContact CB-CB 4.08Å; V348-A359 HydrophobicContact CG1-CB 3.84Å; V348-A359 HydrophobicContact CG2-CB 4.1Å; I356-A359 HydrophobicContact CG2-CB 4.15Å; S357-A359 PolarHBondContact O-N 2.67Å; A359-T371 CarbonylContact O-C 3.45Å; A359-T371 WeakPolarHBondContact O-CA 3.44Å; A359-T372 HydrophobicContact CB-CG2 4.08Å; A359-T372 PolarHBondContact N-OG1 3.38Å; A359-T372 PolarHBondContact O-N 2.77Å; A359-S392 CarbonylContact C-O 3.48Å; A359-S392 WeakPolarHBondContact CA-O 3.28Å; A359-A393 HydrophobicContact CB-CB 4.02Å | ||
| 360 | E | 98.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.4 | 178 | -67.5 | 170.4 | 177.4 | 0 | 0 | 110.3 | H185 T371 A391 S392 | H185-E360 IonicContact NE2-OE1 3.08Å; E360-T371 HydrophobicContact CG-CG2 4.45Å; E360-A391 CarbonylContact O-C 3.52Å; E360-A391 VanDerWaalsContact O-CA 3.27Å; E360-A391 WeakPolarHBondContact O-CA 3.48Å; E360-S392 PolarHBondContact N-O 3.35Å; E360-S392 PolarHBondContact O-N 2.91Å |
| 361 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 110.6 | 174.5 | -52.3 | -63.6 | 0 | 0 | 0 | 108.1 | V348 V370 Y378 V389 K390 A391 F415 | V348-I361 HydrophobicContact CG2-CD1 3.74Å; I361-V370 HydrophobicContact CB-CG2 3.8Å; I361-V370 HydrophobicContact CG1-CG2 4.39Å; I361-V370 HydrophobicContact CG2-CG2 4.34Å; I361-V370 PolarHBondContact N-O 2.63Å; I361-V370 PolarHBondContact O-N 3Å; I361-Y378 HydrophobicContact CB-CD2 4.27Å; I361-Y378 HydrophobicContact CB-CE2 4.49Å; I361-Y378 HydrophobicContact CD1-CD1 3.84Å; I361-Y378 HydrophobicContact CD1-CD2 4.3Å; I361-Y378 HydrophobicContact CD1-CE1 3.94Å; I361-Y378 HydrophobicContact CD1-CE2 4.4Å; I361-Y378 HydrophobicContact CD1-CG 4.03Å; I361-Y378 HydrophobicContact CG1-CD1 3.99Å; I361-Y378 HydrophobicContact CG1-CD2 3.69Å; I361-Y378 HydrophobicContact CG1-CE1 4.37Å; I361-Y378 HydrophobicContact CG1-CE2 4.11Å; I361-Y378 HydrophobicContact CG1-CG 3.62Å; I361-Y378 HydrophobicContact CG2-CD2 4.04Å; I361-Y378 HydrophobicContact CG2-CE2 3.79Å; I361-V389 HydrophobicContact CG2-CG1 3.62Å; I361-K390 WeakPolarHBondContact CA-O 3.19Å; I361-A391 HydrophobicContact CD1-CB 3.79Å; I361-F415 HydrophobicContact CD1-CD2 4.37Å; I361-F415 HydrophobicContact CD1-CE2 4.45Å |
| 362 | V | 98.7 | Very high | 98 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.4 | -174.6 | -178.3 | 0 | 0 | 0 | 0 | 109 | D369 V389 K390 | V362-D369 WeakPolarHBondContact CA-OD1 3.49Å; V362-D369 WeakPolarHBondContact CG1-OD1 3.47Å; V362-D369 HydrophobicContact CG2-CB 4.39Å; V362-V389 CarbonylContact O-C 3.59Å; V362-V389 WeakPolarHBondContact O-CA 3.39Å; V362-K390 HydrophobicContact CB-CB 4.32Å; V362-K390 PolarHBondContact N-O 3.31Å; V362-K390 PolarHBondContact O-N 2.9Å |
| 363 | V | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.1 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | G365 I366 R380 L382 Y387 V389 | V363-G365 PolarHBondContact O-N 3.16Å; V363-I366 HydrophobicContact CB-CB 4.37Å; V363-I366 HydrophobicContact CB-CD1 4.23Å; V363-I366 HydrophobicContact CB-CG1 4.47Å; V363-I366 HydrophobicContact CG1-CD1 3.81Å; V363-I366 HydrophobicContact CG1-CG1 4.19Å; V363-I366 PolarHBondContact O-N 2.84Å; V363-R380 HydrophobicContact CG2-CG 3.98Å; V363-L382 HydrophobicContact CG1-CD1 4.48Å; V363-L382 HydrophobicContact CG1-CD2 4.25Å; V363-L382 HydrophobicContact CG2-CD1 4.3Å; V363-L382 HydrophobicContact CG2-CD2 4.4Å; V363-Y387 HydrophobicContact CG1-CD1 3.57Å; V363-Y387 HydrophobicContact CG1-CE1 4.38Å; V363-Y387 HydrophobicContact CG1-CG 4.11Å; V363-V389 HydrophobicContact CG2-CG2 4.42Å |
| 364 | A | 98.4 | Very high | 98.1 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 51% | 0.512 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 125.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T388 | A364-T388 WeakPolarHBondContact CB-O 3.35Å; A364-T388 PolarHBondContact N-O 3.13Å |
| 365 | G | 97.6 | Very high | 98 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 91% | 0.907 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V363 | V363-G365 PolarHBondContact O-N 3.16Š|
| 366 | I | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 14% | 0.138 | 25% | 0.248 | C | C | . | . | trans | -118.3 | 111.2 | 174.5 | -52.3 | 179 | 0 | 0 | 0 | 108.4 | A248 D249 V363 H368 R380 L382 Y387 | A248-I366 HydrophobicContact CB-CG2 4.07Å; D249-I366 WeakPolarHBondContact OD1-CG2 3.47Å; V363-I366 HydrophobicContact CB-CB 4.37Å; V363-I366 HydrophobicContact CB-CD1 4.23Å; V363-I366 HydrophobicContact CB-CG1 4.47Å; V363-I366 HydrophobicContact CG1-CD1 3.81Å; V363-I366 HydrophobicContact CG1-CG1 4.19Å; V363-I366 PolarHBondContact O-N 2.84Å; I366-H368 PolarHBondContact O-N 3.27Å; I366-R380 VanDerWaalsContact CG2-NH2 3.3Å; I366-L382 HydrophobicContact CD1-CD2 3.55Å; I366-Y387 HydrophobicContact CD1-CE1 4.36Å | ||
| 367 | N | 98.2 | Very high | 98.1 | Very high | 67 Ų | 67 | 39.5 Ų | 39.5 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -85.5 | 58.9 | -178.2 | -171.1 | 36.4 | 0 | 0 | 0 | 111.9 | N184 A248 | N184-N367 WeakPolarHBondContact CB-O 3.48Å; N184-N367 PolarHBondContact ND2-OD1 3.22Å; A248-N367 HydrophobicContact CB-CB 4.39Å; A248-N367 WeakPolarHBondContact CB-O 3.4Å |
| 368 | H | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | trans | -160.9 | 110.7 | 173 | 178 | 70.4 | 0 | 0 | 0 | 107.5 | N184 A248 D249 Y299 F305 I366 R380 | N184-H368 PolarHBondContact O-ND1 2.88Å; A248-H368 HydrophobicContact CB-CB 3.89Å; D249-H368 WeakPolarHBondContact OD2-CB 3.43Å; D249-H368 IonicContact OD2-CD2 3.94Å; D249-H368 PolarHBondContact OD2-CD2 3.35Å; D249-H368 VanDerWaalsContact OD2-CD2 3.31Å; D249-H368 IonicContact OD2-CG 3.57Å; Y299-H368 AromaticContact CD2-CE1 3.98Å; Y299-H368 AromaticContact CD2-NE2 3.61Å; Y299-H368 AromaticContact CE2-CD2 3.23Å; Y299-H368 WeakPolarHBondContact CE2-CD2 3.16Å; Y299-H368 AromaticContact CE2-CE1 3.75Å; Y299-H368 AromaticContact CE2-CG 3.76Å; Y299-H368 AromaticContact CE2-NE2 3.24Å; Y299-H368 WeakPolarHBondContact CE2-NE2 3.48Å; Y299-H368 AromaticContact CZ-CD2 3.45Å; Y299-H368 VanDerWaalsContact CZ-CD2 3.45Å; Y299-H368 AromaticContact CZ-CE1 3.85Å; Y299-H368 AromaticContact CZ-CG 3.45Å; Y299-H368 VanDerWaalsContact CZ-CG 3.45Å; Y299-H368 AromaticContact CZ-ND1 3.71Å; Y299-H368 AromaticContact CZ-NE2 3.73Å; Y299-H368 PolarHBondContact O-CE1 3.04Å; Y299-H368 VanDerWaalsContact OH-CB 3.31Å; Y299-H368 WeakPolarHBondContact OH-CB 3.49Å; Y299-H368 PolarHBondContact OH-CD2 3.3Å; Y299-H368 VanDerWaalsContact OH-CG 3.23Å; F305-H368 AromaticContact CE1-CD2 3.91Å; F305-H368 AromaticContact CE1-NE2 3.79Å; I366-H368 PolarHBondContact O-N 3.27Å; H368-R380 PolarHBondContact O-NH1 2.91Å; H368-R380 PolarHBondContact O-NH2 3.24Å | ||
| 369 | D | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | trans | -94.9 | 160 | -175.1 | -54.3 | -40.7 | 0 | 0 | 0 | 111.1 | N184 H185 V362 | N184-D369 PolarHBondContact ND2-OD2 3.26Å; N184-D369 PolarHBondContact OD1-N 3.42Å; N184-D369 PolarHBondContact OD1-OD2 2.88Å; H185-D369 WeakPolarHBondContact CB-O 3.32Å; V362-D369 WeakPolarHBondContact CA-OD1 3.49Å; V362-D369 WeakPolarHBondContact CG1-OD1 3.47Å; V362-D369 HydrophobicContact CG2-CB 4.39Å | ||
| 370 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 160.7 | 171.6 | -69.8 | 0 | 0 | 0 | 0 | 110.3 | N303 I361 R380 | N303-V370 HydrophobicContact CB-CG1 4.37Å; N303-V370 WeakPolarHBondContact OD1-CA 3.12Å; N303-V370 WeakPolarHBondContact OD1-CB 3.44Å; N303-V370 WeakPolarHBondContact OD1-CG1 3.48Å; I361-V370 HydrophobicContact CB-CG2 3.8Å; I361-V370 HydrophobicContact CG1-CG2 4.39Å; I361-V370 HydrophobicContact CG2-CG2 4.34Å; I361-V370 PolarHBondContact N-O 2.63Å; I361-V370 PolarHBondContact O-N 3Å; V370-R380 HydrophobicContact CG2-CB 4.03Å; V370-R380 HydrophobicContact CG2-CG 4.36Å |
| 371 | T | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 154.3 | 177.2 | 64.7 | 0 | 0 | 0 | 0 | 113 | H186 N303 A359 E360 | H186-T371 PolarHBondContact NE2-OG1 3.38Å; N303-T371 PolarHBondContact ND2-O 3.19Å; N303-T371 PolarHBondContact ND2-OG1 3.14Å; N303-T371 PolarHBondContact OD1-N 2.99Å; A359-T371 CarbonylContact O-C 3.45Å; A359-T371 WeakPolarHBondContact O-CA 3.44Å; E360-T371 HydrophobicContact CG-CG2 4.45Å |
| 372 | T | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -66.7 | 147.6 | 167.6 | 55 | 0 | 0 | 0 | 0 | 112.2 | V348 I356 S357 K358 A359 G376 D377 Y378 | V348-T372 HydrophobicContact CB-CG2 3.93Å; V348-T372 HydrophobicContact CG2-CG2 3.43Å; V348-T372 VanDerWaalsContact CG2-CG2 3.43Å; I356-T372 PolarHBondContact O-OG1 3.44Å; S357-T372 VanDerWaalsContact C-OG1 3.26Å; S357-T372 WeakPolarHBondContact CA-OG1 3.12Å; K358-T372 PolarHBondContact N-O 3.14Å; K358-T372 PolarHBondContact N-OG1 3.08Å; A359-T372 HydrophobicContact CB-CG2 4.08Å; A359-T372 PolarHBondContact N-OG1 3.38Å; A359-T372 PolarHBondContact O-N 2.77Å; T372-G376 WeakPolarHBondContact CG2-O 3.45Å; T372-D377 CarbonylContact C-O 3.55Å; T372-D377 WeakPolarHBondContact CA-O 3.26Å; T372-D377 VanDerWaalsContact CB-O 3.29Å; T372-D377 WeakPolarHBondContact CB-O 3.29Å; T372-Y378 HydrophobicContact CG2-CD1 4.26Å; T372-Y378 HydrophobicContact CG2-CG 4.47Å | ||
| 373 | G | 97.4 | Very high | 98.2 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 12% | 0.124 | 18% | 0.18 | C | C | . | . | trans | -68.1 | -171.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S357 D375 G376 D377 | S357-G373 VanDerWaalsContact CA-O 3.26Å; S357-G373 WeakPolarHBondContact CA-O 3.33Å; S357-G373 WeakPolarHBondContact CB-O 3.21Å; G373-D375 VanDerWaalsContact C-N 3.27Å; G373-D375 PolarHBondContact O-N 3.43Å; G373-G376 PolarHBondContact O-N 2.65Å; G373-D377 PolarHBondContact N-O 3.33Å | ||
| 374 | V | 94.1 | Very high | 98.1 | Very high | 123 Ų | 123 | 30.6 Ų | 30.6 | 75% | 0.745 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.8 | 180 | -66 | 0 | 0 | 0 | 0 | 112.2 | G376 | V374-G376 VanDerWaalsContact C-N 3.27Å; V374-G376 PolarHBondContact O-N 3.16Å |
| 375 | D | 95.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 8.6 | 179.8 | -61.5 | -51 | 0 | 0 | 0 | 112.9 | H76 M347 P355 G373 D377 | H76-D375 IonicContact CD2-OD2 2.82Å; H76-D375 PolarHBondContact CD2-OD2 3.21Å; M347-D375 WeakPolarHBondContact CE-O 3.29Å; P355-D375 WeakPolarHBondContact CB-O 3.44Å; G373-D375 VanDerWaalsContact C-N 3.27Å; G373-D375 PolarHBondContact O-N 3.43Å; D375-D377 PolarHBondContact O-N 3Å |
| 376 | G | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 77.1 | 6.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | M347 V348 I356 T372 G373 V374 | M347-G376 CarbonylContact C-O 3.57Å; M347-G376 WeakPolarHBondContact CA-O 3.31Å; V348-G376 PolarHBondContact N-O 2.96Å; I356-G376 WeakPolarHBondContact O-CA 3.19Å; T372-G376 WeakPolarHBondContact CG2-O 3.45Å; G373-G376 PolarHBondContact O-N 2.65Å; V374-G376 VanDerWaalsContact C-N 3.27Å; V374-G376 PolarHBondContact O-N 3.16Å |
| 377 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 154.7 | 172.4 | 72.6 | -47.4 | 0 | 0 | 0 | 111.4 | H76 L79 G346 M347 T372 G373 D375 F379 | H76-D377 IonicContact CE1-OD2 3.96Å; H76-D377 IonicContact NE2-OD1 3.99Å; H76-D377 IonicContact NE2-OD2 2.89Å; H76-D377 PolarHBondContact NE2-OD2 3.09Å; L79-D377 HydrophobicContact CD2-CB 4.3Å; G346-D377 CarbonylContact O-C 3.41Å; G346-D377 WeakPolarHBondContact O-CA 3.38Å; M347-D377 HydrophobicContact CE-CB 4.15Å; M347-D377 VanDerWaalsContact SD-CA 3.59Å; M347-D377 HydrophobicContact SD-CB 3.38Å; M347-D377 WeakPolarHBondContact SD-CB 3.41Å; T372-D377 CarbonylContact C-O 3.55Å; T372-D377 WeakPolarHBondContact CA-O 3.26Å; T372-D377 VanDerWaalsContact CB-O 3.29Å; T372-D377 WeakPolarHBondContact CB-O 3.29Å; G373-D377 PolarHBondContact N-O 3.33Å; D375-D377 PolarHBondContact O-N 3Å; D377-F379 WeakPolarHBondContact OD2-CE2 3.5Å; D377-F379 WeakPolarHBondContact OD2-CZ 3.25Å |
| 378 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.3 | 175.5 | 76.2 | -86.7 | 0 | 0 | 0 | 111.3 | I344 K345 G346 V348 I361 T372 R380 L413 F415 | I344-Y378 HydrophobicContact CD1-CE2 4.05Å; I344-Y378 HydrophobicContact CG1-CE2 4.07Å; K345-Y378 CarbonylContact C-O 3.42Å; K345-Y378 WeakPolarHBondContact CA-O 3.4Å; K345-Y378 WeakPolarHBondContact CB-O 3.35Å; G346-Y378 VanDerWaalsContact C-CD1 3.5Å; G346-Y378 PolarHBondContact N-O 2.96Å; G346-Y378 WeakPolarHBondContact O-CD1 3.23Å; G346-Y378 PolarHBondContact O-N 3.49Å; V348-Y378 HydrophobicContact CG2-CD1 4.22Å; I361-Y378 HydrophobicContact CB-CD2 4.27Å; I361-Y378 HydrophobicContact CB-CE2 4.49Å; I361-Y378 HydrophobicContact CD1-CD1 3.84Å; I361-Y378 HydrophobicContact CD1-CD2 4.3Å; I361-Y378 HydrophobicContact CD1-CE1 3.94Å; I361-Y378 HydrophobicContact CD1-CE2 4.4Å; I361-Y378 HydrophobicContact CD1-CG 4.03Å; I361-Y378 HydrophobicContact CG1-CD1 3.99Å; I361-Y378 HydrophobicContact CG1-CD2 3.69Å; I361-Y378 HydrophobicContact CG1-CE1 4.37Å; I361-Y378 HydrophobicContact CG1-CE2 4.11Å; I361-Y378 HydrophobicContact CG1-CG 3.62Å; I361-Y378 HydrophobicContact CG2-CD2 4.04Å; I361-Y378 HydrophobicContact CG2-CE2 3.79Å; T372-Y378 HydrophobicContact CG2-CD1 4.26Å; T372-Y378 HydrophobicContact CG2-CG 4.47Å; Y378-R380 HydrophobicContact CE2-CB 4.48Å; Y378-L413 WeakPolarHBondContact CE1-O 3Å; Y378-L413 PolarHBondContact OH-O 3.48Å; Y378-F415 HydrophobicContact CE1-CD2 4.16Å; Y378-F415 HydrophobicContact CE1-CE2 4.29Å; Y378-F415 WeakPolarHBondContact OH-CE2 3.48Å |
| 379 | F | 98.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.9 | 175.6 | -51.9 | -91.5 | 0 | 0 | 0 | 108.8 | E80 P81 V214 K345 D377 | E80-F379 VanDerWaalsContact C-CZ 3.48Å; E80-F379 WeakPolarHBondContact O-CZ 3.38Å; P81-F379 HydrophobicContact CB-CD1 3.86Å; P81-F379 HydrophobicContact CB-CE1 3.72Å; P81-F379 HydrophobicContact CB-CG 4.43Å; P81-F379 HydrophobicContact CB-CZ 4.19Å; P81-F379 HydrophobicContact CG-CE1 4.29Å; V214-F379 HydrophobicContact CB-CB 4.32Å; V214-F379 HydrophobicContact CG1-CB 3.71Å; V214-F379 HydrophobicContact CG1-CG 4.41Å; V214-F379 HydrophobicContact CG2-CB 3.58Å; V214-F379 HydrophobicContact CG2-CD1 4.3Å; V214-F379 HydrophobicContact CG2-CD2 3.46Å; V214-F379 VanDerWaalsContact CG2-CD2 3.46Å; V214-F379 HydrophobicContact CG2-CE2 4.22Å; V214-F379 HydrophobicContact CG2-CG 3.51Å; K345-F379 HydrophobicContact CB-CD1 3.66Å; K345-F379 HydrophobicContact CB-CE1 4.08Å; K345-F379 HydrophobicContact CB-CG 4.46Å; K345-F379 HydrophobicContact CD-CD1 4.14Å; K345-F379 HydrophobicContact CD-CE1 3.94Å; D377-F379 WeakPolarHBondContact OD2-CE2 3.5Å; D377-F379 WeakPolarHBondContact OD2-CZ 3.25Å |
| 380 | R | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 104.9 | 175 | -178.1 | 63.3 | -167.5 | -153.5 | 0.1 | 110.1 | D249 I344 V363 I366 H368 V370 Y378 L382 | D249-R380 IonicContact OD1-CZ 3.83Å; D249-R380 IonicContact OD1-NH2 2.99Å; D249-R380 PolarHBondContact OD1-NH2 3.44Å; D249-R380 IonicContact OD2-CZ 3.47Å; D249-R380 IonicContact OD2-NH2 2.74Å; D249-R380 PolarHBondContact OD2-NH2 3.28Å; I344-R380 HydrophobicContact CD1-CB 4.18Å; I344-R380 HydrophobicContact CG1-CB 3.69Å; I344-R380 HydrophobicContact CG1-CG 4.38Å; I344-R380 PolarHBondContact N-O 2.74Å; I344-R380 PolarHBondContact O-N 2.91Å; V363-R380 HydrophobicContact CG2-CG 3.98Å; I366-R380 VanDerWaalsContact CG2-NH2 3.3Å; H368-R380 PolarHBondContact O-NH1 2.91Å; H368-R380 PolarHBondContact O-NH2 3.24Å; V370-R380 HydrophobicContact CG2-CB 4.03Å; V370-R380 HydrophobicContact CG2-CG 4.36Å; Y378-R380 HydrophobicContact CE2-CB 4.48Å; R380-L382 HydrophobicContact CG-CD1 4.22Å; R380-L382 HydrophobicContact CG-CD2 4.25Å; R380-L382 HydrophobicContact CG-CG 3.99Å; R380-L382 PolarHBondContact O-N 3.25Å |
| 381 | L | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | trans | -63.2 | 125.6 | 173.9 | -57.1 | 178.9 | 0 | 0 | 0 | 109.2 | V214 L215 I252 L256 F305 H342 | V214-L381 HydrophobicContact CG1-CD1 4.38Å; V214-L381 HydrophobicContact CG1-CD2 4.06Å; V214-L381 HydrophobicContact CG1-CG 4.07Å; L215-L381 HydrophobicContact CB-CD1 4.34Å; L215-L381 HydrophobicContact CD1-CD1 3.92Å; I252-L381 HydrophobicContact CD1-CB 3.5Å; I252-L381 VanDerWaalsContact CD1-CB 3.5Å; L256-L381 HydrophobicContact CD1-CD1 4.41Å; F305-L381 HydrophobicContact CB-CD1 4.14Å; F305-L381 HydrophobicContact CD2-CD1 4.07Å; F305-L381 HydrophobicContact CE2-CB 4.49Å; F305-L381 HydrophobicContact CG-CD1 4.21Å; H342-L381 WeakPolarHBondContact O-CD2 3.39Å | ||
| 382 | L | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -143.2 | 147.3 | 178.4 | -67 | 171.9 | 0 | 0 | 0 | 109.4 | I252 I344 V363 I366 R380 Y387 V405 | I252-L382 VanDerWaalsContact CD1-N 3.3Å; I344-L382 HydrophobicContact CD1-CD1 4.1Å; I344-L382 HydrophobicContact CG1-CD1 4.11Å; I344-L382 HydrophobicContact CG2-CD1 4.41Å; V363-L382 HydrophobicContact CG1-CD1 4.48Å; V363-L382 HydrophobicContact CG1-CD2 4.25Å; V363-L382 HydrophobicContact CG2-CD1 4.3Å; V363-L382 HydrophobicContact CG2-CD2 4.4Å; I366-L382 HydrophobicContact CD1-CD2 3.55Å; R380-L382 HydrophobicContact CG-CD1 4.22Å; R380-L382 HydrophobicContact CG-CD2 4.25Å; R380-L382 HydrophobicContact CG-CG 3.99Å; R380-L382 PolarHBondContact O-N 3.25Å; L382-Y387 HydrophobicContact CB-CE2 4.11Å; L382-Y387 HydrophobicContact CD1-CD2 3.97Å; L382-Y387 HydrophobicContact CD1-CE2 4.21Å; L382-Y387 HydrophobicContact CD1-CG 4.13Å; L382-Y387 HydrophobicContact CD2-CE1 4.22Å; L382-V405 HydrophobicContact CB-CG2 4.33Å; L382-V405 HydrophobicContact CD1-CG2 4.31Å | ||
| 383 | L | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 24% | 0.236 | 20% | 0.196 | C | C | . | . | trans | -72.6 | 164.5 | 168.7 | -66.8 | -179.1 | 0 | 0 | 0 | 110.7 | K251 I252 Q255 G385 Y387 | K251-L383 HydrophobicContact CB-CD1 3.75Å; I252-L383 HydrophobicContact CB-CD2 4.36Å; I252-L383 HydrophobicContact CB-CG 4.12Å; I252-L383 HydrophobicContact CG1-CD2 4.21Å; I252-L383 HydrophobicContact CG1-CG 4.42Å; Q255-L383 HydrophobicContact CB-CD2 3.65Å; Q255-L383 HydrophobicContact CG-CD2 3.72Å; L383-G385 PolarHBondContact O-N 3.1Å; L383-Y387 WeakPolarHBondContact O-CE2 3.49Å; L383-Y387 PolarHBondContact O-OH 3.02Å; L383-Y387 VanDerWaalsContact O-OH 3.05Å | ||
| 384 | P | 98.5 | Very high | 98.1 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -55.3 | 131.7 | 171.1 | -26.2 | 35.5 | 0 | 0 | 0 | 111.8 | V405 P407 | P384-V405 CarbonylContact C-O 3.31Å; P384-V405 VanDerWaalsContact CA-O 3.25Å; P384-V405 WeakPolarHBondContact CA-O 3.47Å; P384-P407 HydrophobicContact CG-CB 4.13Å |
| 385 | G | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 162 | 171 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L383 Y387 T404 V405 | L383-G385 PolarHBondContact O-N 3.1Å; G385-Y387 WeakPolarHBondContact O-CD2 3.47Å; G385-Y387 WeakPolarHBondContact O-CE2 3.47Å; G385-T404 CarbonylContact O-C 3.38Å; G385-T404 WeakPolarHBondContact O-CA 3.19Å; G385-V405 PolarHBondContact N-O 3.18Å; G385-V405 PolarHBondContact O-N 3.14Å |
| 386 | T | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 34.5 Ų | 34.5 | 57% | 0.571 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.2 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 110 | T402 V403 T404 | T386-T402 HydrophobicContact CG2-CG2 3.61Å; T386-V403 CarbonylContact C-O 3.53Å; T386-V403 WeakPolarHBondContact CA-O 3.43Å; T386-T404 PolarHBondContact OG1-OG1 2.86Å |
| 387 | Y | 98.6 | Very high | 98.2 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.2 | -173.6 | -60 | -85.9 | 0 | 0 | 0 | 110.9 | V363 I366 L382 L383 G385 T402 V403 V405 | V363-Y387 HydrophobicContact CG1-CD1 3.57Å; V363-Y387 HydrophobicContact CG1-CE1 4.38Å; V363-Y387 HydrophobicContact CG1-CG 4.11Å; I366-Y387 HydrophobicContact CD1-CE1 4.36Å; L382-Y387 HydrophobicContact CB-CE2 4.11Å; L382-Y387 HydrophobicContact CD1-CD2 3.97Å; L382-Y387 HydrophobicContact CD1-CE2 4.21Å; L382-Y387 HydrophobicContact CD1-CG 4.13Å; L382-Y387 HydrophobicContact CD2-CE1 4.22Å; L383-Y387 WeakPolarHBondContact O-CE2 3.49Å; L383-Y387 PolarHBondContact O-OH 3.02Å; L383-Y387 VanDerWaalsContact O-OH 3.05Å; G385-Y387 WeakPolarHBondContact O-CD2 3.47Å; G385-Y387 WeakPolarHBondContact O-CE2 3.47Å; Y387-T402 CarbonylContact O-C 3.19Å; Y387-T402 VanDerWaalsContact O-CA 3.31Å; Y387-T402 WeakPolarHBondContact O-CA 3.31Å; Y387-V403 PolarHBondContact N-O 3.37Å; Y387-V403 PolarHBondContact O-N 2.9Å; Y387-V405 HydrophobicContact CD2-CG2 3.95Å; Y387-V405 HydrophobicContact CE2-CB 4.25Å; Y387-V405 HydrophobicContact CE2-CG2 4.09Å |
| 388 | T | 98.8 | Very high | 98.2 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 41% | 0.411 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.3 | 161.7 | -59.9 | 0 | 0 | 0 | 0 | 108 | A364 | A364-T388 WeakPolarHBondContact CB-O 3.35Å; A364-T388 PolarHBondContact N-O 3.13Å |
| 389 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.2 | -175.8 | -173 | 0 | 0 | 0 | 0 | 108.6 | I344 I361 V362 V363 S400 K401 V403 L413 F415 | I344-V389 HydrophobicContact CD1-CB 4.49Å; I344-V389 HydrophobicContact CD1-CG1 3.97Å; I344-V389 HydrophobicContact CD1-CG2 3.84Å; I361-V389 HydrophobicContact CG2-CG1 3.62Å; V362-V389 CarbonylContact O-C 3.59Å; V362-V389 WeakPolarHBondContact O-CA 3.39Å; V363-V389 HydrophobicContact CG2-CG2 4.42Å; V389-S400 CarbonylContact O-C 3.54Å; V389-S400 VanDerWaalsContact O-CA 3.28Å; V389-S400 WeakPolarHBondContact O-CA 3.49Å; V389-K401 PolarHBondContact N-O 3.16Å; V389-K401 PolarHBondContact O-N 2.92Å; V389-V403 HydrophobicContact CG2-CG1 3.76Å; V389-L413 HydrophobicContact CB-CD2 4.04Å; V389-L413 HydrophobicContact CG1-CD2 4.3Å; V389-L413 HydrophobicContact CG2-CD2 4.22Å; V389-F415 HydrophobicContact CB-CZ 4.04Å; V389-F415 HydrophobicContact CG1-CE2 4.15Å; V389-F415 HydrophobicContact CG1-CZ 3.76Å |
| 390 | K | 98.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.8 | 179.9 | 176.5 | -170.5 | 174.7 | -165.8 | 0 | 109.7 | I361 V362 S398 S399 | I361-K390 WeakPolarHBondContact CA-O 3.19Å; V362-K390 HydrophobicContact CB-CB 4.32Å; V362-K390 PolarHBondContact N-O 3.31Å; V362-K390 PolarHBondContact O-N 2.9Å; K390-S398 VanDerWaalsContact CE-OG 3.22Å; K390-S398 WeakPolarHBondContact CE-OG 3.43Å; K390-S399 CarbonylContact C-O 3.48Å; K390-S399 VanDerWaalsContact CA-O 3.31Å; K390-S399 WeakPolarHBondContact CA-O 3.34Å |
| 391 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 136.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V348 E360 I361 S398 S399 F415 L417 | V348-A391 HydrophobicContact CG2-CB 4.36Å; E360-A391 CarbonylContact O-C 3.52Å; E360-A391 VanDerWaalsContact O-CA 3.27Å; E360-A391 WeakPolarHBondContact O-CA 3.48Å; I361-A391 HydrophobicContact CD1-CB 3.79Å; A391-S398 CarbonylContact O-C 3.58Å; A391-S398 VanDerWaalsContact O-CA 3.23Å; A391-S398 WeakPolarHBondContact O-CA 3.45Å; A391-S398 WeakPolarHBondContact O-CB 3.48Å; A391-S399 PolarHBondContact N-O 3.21Å; A391-S399 PolarHBondContact O-N 2.95Å; A391-F415 HydrophobicContact CB-CB 3.65Å; A391-F415 HydrophobicContact CB-CD1 3.56Å; A391-F415 HydrophobicContact CB-CD2 3.71Å; A391-F415 HydrophobicContact CB-CE1 4.08Å; A391-F415 HydrophobicContact CB-CE2 4.22Å; A391-F415 HydrophobicContact CB-CG 3.35Å; A391-F415 HydrophobicContact CB-CZ 4.39Å; A391-L417 HydrophobicContact CB-CD2 4.19Å |
| 392 | S | 98.3 | Very high | 98.1 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.8 | 174.2 | 37.5 | 0 | 0 | 0 | 0 | 112.2 | A359 E360 | A359-S392 CarbonylContact C-O 3.48Å; A359-S392 WeakPolarHBondContact CA-O 3.28Å; E360-S392 PolarHBondContact N-O 3.35Å; E360-S392 PolarHBondContact O-N 2.91Å |
| 393 | A | 97.9 | Very high | 98 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | trans | -144.7 | 146.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | I356 A359 G395 Y396 L417 | I356-A393 HydrophobicContact CG2-CB 3.77Å; A359-A393 HydrophobicContact CB-CB 4.02Å; A393-G395 PolarHBondContact O-N 2.99Å; A393-Y396 HydrophobicContact CB-CD2 3.93Å; A393-Y396 HydrophobicContact CB-CG 4.46Å; A393-Y396 PolarHBondContact O-N 3.44Å; A393-L417 HydrophobicContact CB-CD1 3.93Å | ||
| 394 | P | 96.5 | Very high | 98 | Very high | 121 Ų | 121 | 56.6 Ų | 56.6 | 79% | 0.786 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 128.7 | 175.5 | -26.8 | 35.3 | 0 | 0 | 0 | 112.2 | Y396 | P394-Y396 WeakPolarHBondContact O-CD2 3.39Š|
| 395 | G | 95.6 | Very high | 98 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 1.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A393 A420 | A393-G395 PolarHBondContact O-N 2.99Å; G395-A420 WeakPolarHBondContact O-CB 3.45Å; G395-A420 PolarHBondContact O-N 3.24Å |
| 396 | Y | 97.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 154.5 | 178.5 | -65.7 | -96.5 | 0 | 0 | 0 | 112.4 | D350 I356 A393 P394 L417 K418 K419 | D350-Y396 HydrophobicContact CB-CE1 3.65Å; I356-Y396 HydrophobicContact CD1-CD1 3.94Å; I356-Y396 HydrophobicContact CD1-CD2 4.25Å; I356-Y396 HydrophobicContact CD1-CE1 3.67Å; I356-Y396 HydrophobicContact CD1-CE2 4.01Å; I356-Y396 HydrophobicContact CD1-CG 4.23Å; A393-Y396 HydrophobicContact CB-CD2 3.93Å; A393-Y396 HydrophobicContact CB-CG 4.46Å; A393-Y396 PolarHBondContact O-N 3.44Å; P394-Y396 WeakPolarHBondContact O-CD2 3.39Å; Y396-L417 HydrophobicContact CD1-CB 3.79Å; Y396-L417 HydrophobicContact CG-CB 4.09Å; Y396-K418 CarbonylContact C-O 3.53Å; Y396-K418 WeakPolarHBondContact CA-O 3.3Å; Y396-K419 HydrophobicContact CD1-CG 4.32Å; Y396-K419 HydrophobicContact CE1-CG 3.96Å |
| 397 | L | 97.1 | Very high | 97.4 | Very high | 90 Ų | 90 | 54.1 Ų | 54.1 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 130.7 | 166.7 | -61.3 | 177.1 | 0 | 0 | 0 | 109 | K418 A420 | L397-K418 HydrophobicContact CD1-CB 4.45Å; L397-K418 PolarHBondContact N-O 3.25Å; L397-A420 HydrophobicContact CD2-CB 4.21Å; L397-A420 HydrophobicContact CG-CB 4.5Å |
| 398 | S | 97.3 | Very high | 97 | Very high | 62 Ų | 62 | 55.2 Ų | 55.2 | 43% | 0.434 | 35% | 0.352 | S | S | . | . | trans | -67.2 | 150.7 | 178 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | K390 A391 | K390-S398 VanDerWaalsContact CE-OG 3.22Å; K390-S398 WeakPolarHBondContact CE-OG 3.43Å; A391-S398 CarbonylContact O-C 3.58Å; A391-S398 VanDerWaalsContact O-CA 3.23Å; A391-S398 WeakPolarHBondContact O-CA 3.45Å; A391-S398 WeakPolarHBondContact O-CB 3.48Å | ||
| 399 | S | 98 | Very high | 96.7 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.2 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | K390 A391 F415 | K390-S399 CarbonylContact C-O 3.48Å; K390-S399 VanDerWaalsContact CA-O 3.31Å; K390-S399 WeakPolarHBondContact CA-O 3.34Å; A391-S399 PolarHBondContact N-O 3.21Å; A391-S399 PolarHBondContact O-N 2.95Å; S399-F415 WeakPolarHBondContact O-CE1 2.94Å |
| 400 | S | 98.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.1 | 179.6 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | V389 | V389-S400 CarbonylContact O-C 3.54Å; V389-S400 VanDerWaalsContact O-CA 3.28Å; V389-S400 WeakPolarHBondContact O-CA 3.49Å |
| 401 | K | 98.4 | Very high | 96.5 | Very high | 77 Ų | 77 | 59.5 Ų | 59.5 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.6 | 176.8 | -67.3 | -175.5 | 174.9 | -173.7 | 0 | 110.2 | V389 L413 H414 F415 | V389-K401 PolarHBondContact N-O 3.16Å; V389-K401 PolarHBondContact O-N 2.92Å; K401-L413 HydrophobicContact CB-CD1 4.12Å; K401-L413 HydrophobicContact CD-CD1 3.7Å; K401-L413 HydrophobicContact CD-CG 4.49Å; K401-H414 WeakPolarHBondContact CE-O 3.37Å; K401-H414 PolarHBondContact NZ-O 3.19Å; K401-F415 HydrophobicContact CB-CE1 4.08Å; K401-F415 HydrophobicContact CB-CZ 4.4Å; K401-F415 HydrophobicContact CD-CD1 4.33Å; K401-F415 HydrophobicContact CD-CE1 4.12Å; K401-F415 HydrophobicContact CG-CD1 4.4Å; K401-F415 HydrophobicContact CG-CE1 3.91Å |
| 402 | T | 98.4 | Very high | 96.4 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 60% | 0.595 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.1 | 169.2 | -56.9 | 0 | 0 | 0 | 0 | 108.9 | T386 Y387 | T386-T402 HydrophobicContact CG2-CG2 3.61Å; Y387-T402 CarbonylContact O-C 3.19Å; Y387-T402 VanDerWaalsContact O-CA 3.31Å; Y387-T402 WeakPolarHBondContact O-CA 3.31Å |
| 403 | V | 98.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 7% | 0.073 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.5 | 179.8 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | I344 T386 Y387 V389 I411 L413 | I344-V403 HydrophobicContact CG2-CG1 4.09Å; I344-V403 HydrophobicContact CG2-CG2 4.26Å; T386-V403 CarbonylContact C-O 3.53Å; T386-V403 WeakPolarHBondContact CA-O 3.43Å; Y387-V403 PolarHBondContact N-O 3.37Å; Y387-V403 PolarHBondContact O-N 2.9Å; V389-V403 HydrophobicContact CG2-CG1 3.76Å; V403-I411 HydrophobicContact CG2-CB 4.2Å; V403-I411 HydrophobicContact CG2-CG2 3.75Å; V403-L413 HydrophobicContact CB-CD2 4.08Å; V403-L413 HydrophobicContact CG1-CD2 4.02Å |
| 404 | T | 98.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 66.4 Ų | 66.4 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.5 | 172.2 | -61.3 | 0 | 0 | 0 | 0 | 108.8 | G385 T386 | G385-T404 CarbonylContact O-C 3.38Å; G385-T404 WeakPolarHBondContact O-CA 3.19Å; T386-T404 PolarHBondContact OG1-OG1 2.86Å |
| 405 | V | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.036 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.1 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | I344 L382 P384 G385 Y387 | I344-V405 HydrophobicContact CG2-CG2 3.6Å; L382-V405 HydrophobicContact CB-CG2 4.33Å; L382-V405 HydrophobicContact CD1-CG2 4.31Å; P384-V405 CarbonylContact C-O 3.31Å; P384-V405 VanDerWaalsContact CA-O 3.25Å; P384-V405 WeakPolarHBondContact CA-O 3.47Å; G385-V405 PolarHBondContact N-O 3.18Å; G385-V405 PolarHBondContact O-N 3.14Å; Y387-V405 HydrophobicContact CD2-CG2 3.95Å; Y387-V405 HydrophobicContact CE2-CB 4.25Å; Y387-V405 HydrophobicContact CE2-CG2 4.09Å |
| 406 | G | 95 | Very high | 96.7 | Very high | 28 Ų | 28 | 63.7 Ų | 63.7 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | trans | -94.2 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A408 | G406-A408 VanDerWaalsContact C-N 3.26Å; G406-A408 PolarHBondContact O-N 3.37Å | ||
| 407 | P | 90.1 | Very high | 96.7 | Very high | 112 Ų | 112 | 61 Ų | 61 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -80.6 | -0.9 | 176.4 | 34.8 | -37 | 0 | 0 | 0 | 114.3 | P384 | P384-P407 HydrophobicContact CG-CB 4.13Š|
| 408 | A | 90 | Very high | 96.6 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 55% | 0.554 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -98.7 | -154.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | H342 G406 | H342-A408 PolarHBondContact CD2-O 3.3Å; H342-A408 VanDerWaalsContact CD2-O 3.31Å; G406-A408 VanDerWaalsContact C-N 3.26Å; G406-A408 PolarHBondContact O-N 3.37Å |
| 409 | E | 91.3 | Very high | 96.5 | Very high | 154 Ų | 154 | 66 Ų | 66 | 72% | 0.72 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -54.9 | 154.8 | 178.2 | -67.4 | 179.8 | -168.9 | 0 | 0 | 114.1 | H341 I411 | H341-E409 CarbonylContact O-C 3.48Å; H341-E409 WeakPolarHBondContact O-CA 3.23Å; E409-I411 PolarHBondContact O-N 3.12Å |
| 410 | A | 95.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 13% | 0.132 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 134.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H341 G343 K345 Q412 | H341-A410 WeakPolarHBondContact O-CA 3.42Å; H341-A410 VanDerWaalsContact O-CB 3.26Å; H341-A410 WeakPolarHBondContact O-CB 3.06Å; H341-A410 PolarHBondContact O-N 3.08Å; G343-A410 VanDerWaalsContact O-CA 3.26Å; G343-A410 WeakPolarHBondContact O-CA 3.45Å; K345-A410 HydrophobicContact CD-CB 4.49Å; K345-A410 HydrophobicContact CG-CB 4.19Å; A410-Q412 PolarHBondContact O-N 3.46Å |
| 411 | I | 97.9 | Very high | 95.6 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 127.3 | 177.1 | -58 | -59.9 | 0 | 0 | 0 | 109.5 | G343 I344 K345 V403 E409 L413 | G343-I411 PolarHBondContact O-N 3.02Å; I344-I411 VanDerWaalsContact CA-O 3.29Å; I344-I411 WeakPolarHBondContact CA-O 3.41Å; I344-I411 HydrophobicContact CG2-CB 4.32Å; K345-I411 PolarHBondContact N-O 2.88Å; V403-I411 HydrophobicContact CG2-CB 4.2Å; V403-I411 HydrophobicContact CG2-CG2 3.75Å; E409-I411 PolarHBondContact O-N 3.12Å; I411-L413 PolarHBondContact O-N 3.06Å |
| 412 | Q | 98.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 73.6 Ų | 73.6 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.8 | 171.3 | -69.7 | -170.8 | -5.4 | 0 | 0 | 110.9 | K345 A410 | K345-Q412 HydrophobicContact CG-CG 4.32Å; K345-Q412 CarbonylContact O-C 3.41Å; K345-Q412 WeakPolarHBondContact O-CA 3.29Å; A410-Q412 PolarHBondContact O-N 3.46Å |
| 413 | L | 98.4 | Very high | 92.6 | Very high | 18 Ų | 18 | 77.5 Ų | 77.5 | 9% | 0.094 | 41% | 0.407 | C | S | . | . | trans | -132.9 | 93.8 | -178.3 | -177.5 | 69.1 | 0 | 0 | 0 | 110.8 | I344 K345 Y378 V389 K401 V403 I411 F415 | I344-L413 HydrophobicContact CD1-CD2 4.26Å; K345-L413 PolarHBondContact O-N 2.77Å; Y378-L413 WeakPolarHBondContact CE1-O 3Å; Y378-L413 PolarHBondContact OH-O 3.48Å; V389-L413 HydrophobicContact CB-CD2 4.04Å; V389-L413 HydrophobicContact CG1-CD2 4.3Å; V389-L413 HydrophobicContact CG2-CD2 4.22Å; K401-L413 HydrophobicContact CB-CD1 4.12Å; K401-L413 HydrophobicContact CD-CD1 3.7Å; K401-L413 HydrophobicContact CD-CG 4.49Å; V403-L413 HydrophobicContact CB-CD2 4.08Å; V403-L413 HydrophobicContact CG1-CD2 4.02Å; I411-L413 PolarHBondContact O-N 3.06Å; L413-F415 HydrophobicContact CD2-CE2 3.84Å; L413-F415 HydrophobicContact CD2-CZ 3.74Å; L413-F415 HydrophobicContact CG-CE2 3.9Å; L413-F415 HydrophobicContact CG-CZ 4.08Å | ||
| 414 | H | 98.5 | Very high | 89.9 | Confident | 48 Ų | 48 | 83.4 Ų | 83.4 | 22% | 0.222 | 44% | 0.439 | C | S | . | . | trans | -81.5 | 151.1 | 176.9 | -52.4 | -69.6 | 0 | 0 | 0 | 112.6 | M347 K401 Y416 | M347-H414 WeakPolarHBondContact CB-ND1 3.49Å; M347-H414 WeakPolarHBondContact CG-ND1 3.28Å; M347-H414 PolarHBondContact N-ND1 2.97Å; M347-H414 CarbonylContact O-C 3.58Å; M347-H414 VanDerWaalsContact O-CA 3.26Å; M347-H414 WeakPolarHBondContact O-CA 3.04Å; K401-H414 WeakPolarHBondContact CE-O 3.37Å; K401-H414 PolarHBondContact NZ-O 3.19Å; H414-Y416 HydrophobicContact CB-CE2 4.08Å | ||
| 415 | F | 98.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.8 | 171.3 | -67.7 | -91.5 | 0 | 0 | 0 | 110.9 | M347 V348 Y349 I361 Y378 V389 A391 S399 K401 L413 L417 | M347-F415 PolarHBondContact O-N 2.91Å; V348-F415 WeakPolarHBondContact CA-O 3.47Å; V348-F415 HydrophobicContact CG1-CB 4.35Å; V348-F415 HydrophobicContact CG2-CB 4.34Å; Y349-F415 PolarHBondContact N-O 3.45Å; I361-F415 HydrophobicContact CD1-CD2 4.37Å; I361-F415 HydrophobicContact CD1-CE2 4.45Å; Y378-F415 HydrophobicContact CE1-CD2 4.16Å; Y378-F415 HydrophobicContact CE1-CE2 4.29Å; Y378-F415 WeakPolarHBondContact OH-CE2 3.48Å; V389-F415 HydrophobicContact CB-CZ 4.04Å; V389-F415 HydrophobicContact CG1-CE2 4.15Å; V389-F415 HydrophobicContact CG1-CZ 3.76Å; A391-F415 HydrophobicContact CB-CB 3.65Å; A391-F415 HydrophobicContact CB-CD1 3.56Å; A391-F415 HydrophobicContact CB-CD2 3.71Å; A391-F415 HydrophobicContact CB-CE1 4.08Å; A391-F415 HydrophobicContact CB-CE2 4.22Å; A391-F415 HydrophobicContact CB-CG 3.35Å; A391-F415 HydrophobicContact CB-CZ 4.39Å; S399-F415 WeakPolarHBondContact O-CE1 2.94Å; K401-F415 HydrophobicContact CB-CE1 4.08Å; K401-F415 HydrophobicContact CB-CZ 4.4Å; K401-F415 HydrophobicContact CD-CD1 4.33Å; K401-F415 HydrophobicContact CD-CE1 4.12Å; K401-F415 HydrophobicContact CG-CD1 4.4Å; K401-F415 HydrophobicContact CG-CE1 3.91Å; L413-F415 HydrophobicContact CD2-CE2 3.84Å; L413-F415 HydrophobicContact CD2-CZ 3.74Å; L413-F415 HydrophobicContact CG-CE2 3.9Å; L413-F415 HydrophobicContact CG-CZ 4.08Å; F415-L417 HydrophobicContact CB-CD2 4.48Å |
| 416 | Y | 97.9 | Very high | 84.7 | Confident | 118 Ų | 118 | 96 Ų | 96 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 112.6 | 175.9 | -62.3 | -95.3 | 0 | 0 | 0 | 107.5 | Y349 H414 | Y349-Y416 HydrophobicContact CD2-CD1 4.07Å; Y349-Y416 AromaticContact CD2-CE1 3.52Å; Y349-Y416 HydrophobicContact CD2-CE1 3.52Å; Y349-Y416 AromaticContact CD2-CZ 3.8Å; Y349-Y416 HydrophobicContact CE2-CE1 4.33Å; Y349-Y416 HydrophobicContact CG-CD1 4.31Å; Y349-Y416 HydrophobicContact CG-CE1 4.06Å; Y349-Y416 CarbonylContact O-C 3.52Å; Y349-Y416 WeakPolarHBondContact O-CA 3.38Å; H414-Y416 HydrophobicContact CB-CE2 4.08Å |
| 417 | L | 97.9 | Very high | 82 | Confident | 1 Ų | 1 | 98 Ų | 98 | 1% | 0.005 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 133.1 | -174.4 | -53.3 | -173.2 | 0 | 0 | 0 | 110.4 | V348 Y349 E351 I356 A391 A393 Y396 F415 | V348-L417 HydrophobicContact CG1-CD1 3.68Å; V348-L417 HydrophobicContact CG1-CG 3.83Å; Y349-L417 PolarHBondContact O-N 3Å; E351-L417 PolarHBondContact N-O 3.02Å; I356-L417 HydrophobicContact CD1-CB 4.13Å; I356-L417 HydrophobicContact CD1-CD1 4.19Å; I356-L417 HydrophobicContact CD1-CG 4.39Å; A391-L417 HydrophobicContact CB-CD2 4.19Å; A393-L417 HydrophobicContact CB-CD1 3.93Å; Y396-L417 HydrophobicContact CD1-CB 3.79Å; Y396-L417 HydrophobicContact CG-CB 4.09Å; F415-L417 HydrophobicContact CB-CD2 4.48Å |
| 418 | K | 95.8 | Very high | 79.3 | Confident | 146 Ų | 146 | 101.8 Ų | 101.8 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 145.1 | 175.5 | -64.6 | -176.3 | 179.5 | -177.8 | 0 | 109.9 | Y396 L397 A420 | Y396-K418 CarbonylContact C-O 3.53Å; Y396-K418 WeakPolarHBondContact CA-O 3.3Å; L397-K418 HydrophobicContact CD1-CB 4.45Å; L397-K418 PolarHBondContact N-O 3.25Å; K418-A420 PolarHBondContact O-N 3.44Å |
| 419 | K | 93.6 | Very high | 76.7 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 137.1 | 174.2 | -76 | -178.3 | -176.5 | 164.4 | 0 | 110.7 | E351 Y396 | E351-K419 WeakPolarHBondContact OE1-CD 3.15Å; Y396-K419 HydrophobicContact CD1-CG 4.32Å; Y396-K419 HydrophobicContact CE1-CG 3.96Å |
| 420 | A | 91 | Very high | 74 | Confident | 40 Ų | 40 | 108.9 Ų | 108.9 | 33% | 0.331 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 141 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | G395 L397 K418 K422 | G395-A420 WeakPolarHBondContact O-CB 3.45Å; G395-A420 PolarHBondContact O-N 3.24Å; L397-A420 HydrophobicContact CD2-CB 4.21Å; L397-A420 HydrophobicContact CG-CB 4.5Å; K418-A420 PolarHBondContact O-N 3.44Å; A420-K422 PolarHBondContact O-N 2.03Å |
| 421 | P | 86.3 | Confident | 71.3 | Confident | 104 Ų | 104 | 117.1 Ų | 117.1 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 131.9 | 173.6 | -20.9 | 30.4 | 0 | 0 | 0 | 110 | Q423 | P421-Q423 PolarHBondContact O-N 2.88Š|
| 422 | K | 74.2 | Confident | 68.1 | Low | 198 Ų | 198 | 117.4 Ų | 117.4 | 86% | 0.861 | 59% | 0.594 | S | S | * | * | trans | -57.9 | 111.8 | 171.5 | -74.3 | -174.3 | 179.3 | -179.6 | 0 | 107.9 | A420 N424 | A420-K422 PolarHBondContact O-N 2.03Å; K422-N424 PolarHBondContact O-N 3.4Å | ||
| 423 | Q | 60.1 | Low | 65.2 | Low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 61% | 0.613 | S | S | * | * | trans | -63.3 | 105.7 | 165.3 | -78.7 | -173.5 | -10.3 | 0 | 0 | 107.2 | P421 L425 | P421-Q423 PolarHBondContact O-N 2.88Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 2.85Å | ||
| 424 | N | 41.3 | Very low | 62.1 | Low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | -62.9 | 97.6 | 165.5 | -85.6 | -31.8 | 0 | 0 | 0 | 107.2 | K422 K426 | K422-N424 PolarHBondContact O-N 3.4Å; N424-K426 PolarHBondContact O-N 2.99Å | ||
| 425 | L | 46.8 | Very low | 59 | Low | 171 Ų | 171 | 136.2 Ų | 136.2 | 90% | 0.895 | 68% | 0.681 | S | S | * | * | trans | -67.7 | 69.5 | 159.4 | -79.1 | 156.9 | 0 | 0 | 0 | 108.2 | Q423 | Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 2.85Å | ||
| 426 | K | 40.6 | Very low | 56 | Low | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | trans | -114.8 | 103.2 | 164.6 | -81.4 | -168.8 | 177.2 | -177.9 | 0 | 108.1 | N424 | N424-K426 PolarHBondContact O-N 2.99Š| ||
| 427 | G | 38.4 | Very low | 52.8 | Low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | trans | 101.3 | 96.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 428 | K | 33.6 | Very low | 49.7 | Very low | 190 Ų | 190 | 147.6 Ų | 147.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | -173.8 | 77 | 115.2 | -98 | 176.2 | -175.7 | -178.1 | 0 | 109.8 | H430 | K428-H430 PolarHBondContact O-N 2.88Å; K428-H430 VanDerWaalsContact O-N 3.09Å | |||
| 429 | H | 35.8 | Very low | 46.6 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 93% | 0.931 | 78% | 0.78 | S | S | * | * | trans | -71.4 | 89.5 | 150.1 | -83.6 | -62.7 | 0 | 0 | 0 | 107.3 | H431 | H429-H431 PolarHBondContact O-N 2.88Š| ||
| 430 | H | 34.6 | Very low | 43.8 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | -82.7 | 104.7 | 158.2 | -109.2 | -35.4 | 0 | 0 | 0 | 107.9 | K428 G432 | K428-H430 PolarHBondContact O-N 2.88Å; K428-H430 VanDerWaalsContact O-N 3.09Å; H430-G432 PolarHBondContact O-N 3.24Å | ||
| 431 | H | 39.1 | Very low | 40.9 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -57.9 | 104.2 | 161.1 | -96.4 | -29.5 | 0 | 0 | 0 | 109.6 | H429 | H429-H431 PolarHBondContact O-N 2.88Š| ||
| 432 | G | 30.1 | Very low | 38.3 | Very low | 72 Ų | 72 | 155.8 Ų | 155.8 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -113.1 | 93.3 | 159 | 0 | 0 | 0 | 0 | 0 | 108.7 | H430 K434 | H430-G432 PolarHBondContact O-N 3.24Å; G432-K434 PolarHBondContact O-N 3.19Å; G432-K434 VanDerWaalsContact O-N 3.15Å | ||
| 433 | K | 36.5 | Very low | 36.3 | Very low | 209 Ų | 209 | 154.2 Ų | 154.2 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -60.4 | 112.3 | 165.8 | -83.3 | 179.6 | 174.6 | 176.8 | 0 | 108.4 | ||||
| 434 | K | 32.5 | Very low | 35 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -133.5 | 109.1 | 154.5 | -89.3 | -171.3 | 175.9 | 179.9 | 0 | 109.2 | G432 I436 | G432-K434 PolarHBondContact O-N 3.19Å; G432-K434 VanDerWaalsContact O-N 3.15Å; K434-I436 PolarHBondContact O-N 3.49Å | ||
| 435 | N | 34.8 | Very low | 34.8 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | trans | -54.7 | 125.4 | 164.6 | -78.3 | -20.7 | 0 | 0 | 0 | 109.7 | ||||
| 436 | I | 34.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -137.1 | 120.7 | 154.6 | -58.1 | -178 | 0 | 0 | 0 | 108.1 | K434 | K434-I436 PolarHBondContact O-N 3.49Š| ||
| 437 | S | 31.1 | Very low | 34.4 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | -53 | 139.5 | 178.2 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | N439 | S437-N439 PolarHBondContact O-N 3.12Š| ||
| 438 | A | 34.3 | Very low | 34.3 | Very low | 99 Ų | 99 | 161.2 Ų | 161.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -67.5 | 117.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 439 | N | 29.8 | Very low | 34.3 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 85% | 0.85 | 85% | 0.852 | S | S | * | * | trans | -109.6 | 108.6 | 157.9 | -99 | -14.7 | 0 | 0 | 0 | 108.3 | S437 A441 | S437-N439 PolarHBondContact O-N 3.12Å; N439-A441 PolarHBondContact O-N 2.98Å | ||
| 440 | K | 34.6 | Very low | 34.2 | Very low | 211 Ų | 211 | 157.6 Ų | 157.6 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | trans | -70.7 | 119.1 | 165.7 | -81.1 | 177.1 | 173.5 | 177.5 | 0 | 108.1 | ||||
| 441 | A | 30.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 156.9 Ų | 156.9 | 78% | 0.777 | 85% | 0.851 | S | S | * | * | trans | -118.5 | 113 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | N439 | N439-A441 PolarHBondContact O-N 2.98Š| ||
| 442 | S | 31.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 155.1 Ų | 155.1 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | trans | -68.6 | 124.8 | 172.8 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 443 | L | 32.7 | Very low | 34.1 | Very low | 166 Ų | 166 | 160.3 Ų | 160.3 | 87% | 0.869 | 86% | 0.856 | S | S | * | * | trans | -97.9 | 106.2 | 165.8 | -95.2 | 137.7 | 0 | 0 | 0 | 109 | ||||
| 444 | K | 32.6 | Very low | 34 | Very low | 198 Ų | 198 | 157 Ų | 157 | 86% | 0.861 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 121.2 | 165.1 | -74.8 | -179.2 | 175.2 | -179.2 | 0 | 108.2 | ||
| 445 | L | 37 | Very low | 34.1 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 91% | 0.911 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -93 | 117.3 | 164.3 | -80.1 | 155.5 | 0 | 0 | 0 | 108.1 | ||
| 446 | G | 33.3 | Very low | 34 | Very low | 66 Ų | 66 | 153.2 Ų | 153.2 | 68% | 0.68 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 165 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 447 | P | 44.3 | Very low | 34 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 136.6 | -162.2 | 32.8 | -32.9 | 0 | 0 | 0 | 112.8 | ||
| 448 | R | 36.2 | Very low | 34.3 | Very low | 325 Ų | 325 | 157.5 Ų | 157.5 | 100% | 1.226 | 87% | 0.866 | S | S | * | * | trans | -145.7 | 0 | 144.4 | -82.5 | -162.1 | 178.8 | -176.2 | -0.6 | 109.6 |
Retrieved 448 of 448 residues in 136.2 ms
(Link to these results)