| 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 | 50.3 | Low | 54.9 | Low | 219 Ų | 219 | 131.3 Ų | 131.3 | 100% | 1.079 | 65% | 0.647 | S | S | * | * | 0 | -39.4 | 0 | -89.7 | 173.5 | 136.2 | 0 | 0 | 113.9 | F3 W4 | M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.79Å; M1-W4 PolarHBondContact O-N 2.92Å | |||
| 2 | H | 57 | Low | 54.4 | Low | 168 Ų | 168 | 124.7 Ų | 124.7 | 78% | 0.778 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.7 | -27.4 | -179.1 | -72.8 | -44.2 | 0 | 0 | 0 | 116.1 | W4 | H2-W4 PolarHBondContact O-N 2.91Å |
| 3 | F | 56.8 | Low | 54 | Low | 177 Ų | 177 | 120.7 Ų | 120.7 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.9 | -32.9 | 176.8 | -115 | -91.5 | 0 | 0 | 0 | 113.7 | M1 C7 | M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.79Å; F3-C7 PolarHBondContact O-N 3.11Å |
| 4 | W | 52.7 | Low | 53.4 | Low | 196 Ų | 196 | 116.1 Ų | 116.1 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.2 | -32.8 | -178.3 | -79.5 | 50.7 | 0 | 0 | 0 | 112.2 | M1 H2 L6 C7 F8 | M1-W4 PolarHBondContact O-N 2.92Å; H2-W4 PolarHBondContact O-N 2.91Å; W4-L6 VanDerWaalsContact C-N 3.31Å; W4-L6 PolarHBondContact O-N 3.26Å; W4-C7 PolarHBondContact O-N 3.13Å; W4-F8 HydrophobicContact CE3-CE2 4.36Å; W4-F8 WeakPolarHBondContact O-CD2 3.4Å; W4-F8 PolarHBondContact O-N 3.48Å |
| 5 | S | 60.7 | Low | 52.9 | Low | 71 Ų | 71 | 120.5 Ų | 120.5 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.8 | -31.4 | 176.9 | -162.6 | 0 | 0 | 0 | 0 | 112.5 | L9 | S5-L9 PolarHBondContact O-N 3.13Å |
| 6 | L | 56.1 | Low | 52.6 | Low | 120 Ų | 120 | 119.4 Ų | 119.4 | 63% | 0.628 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.1 | -39.8 | 175.8 | -90.5 | 146.2 | 0 | 0 | 0 | 112 | W4 L9 T10 | W4-L6 VanDerWaalsContact C-N 3.31Å; W4-L6 PolarHBondContact O-N 3.26Å; L6-L9 PolarHBondContact O-N 3.36Å; L6-T10 WeakPolarHBondContact O-CG2 3.32Å; L6-T10 PolarHBondContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.42Å |
| 7 | C | 56.7 | Low | 52.2 | Low | 67 Ų | 67 | 120.4 Ų | 120.4 | 45% | 0.453 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.6 | -38.4 | 173.8 | -84.3 | 0 | 0 | 0 | 0 | 113 | F3 W4 T10 I11 | F3-C7 PolarHBondContact O-N 3.11Å; W4-C7 PolarHBondContact O-N 3.13Å; C7-T10 WeakPolarHBondContact CA-OG1 3.24Å; C7-T10 PolarHBondContact O-N 3.35Å; C7-T10 PolarHBondContact O-OG1 2.68Å; C7-I11 WeakPolarHBondContact O-CB 3.37Å; C7-I11 WeakPolarHBondContact O-CD1 3.39Å; C7-I11 WeakPolarHBondContact O-CG1 3.26Å; C7-I11 PolarHBondContact O-N 2.69Å |
| 8 | F | 54.3 | Low | 52.1 | Low | 144 Ų | 144 | 117.9 Ų | 117.9 | 63% | 0.632 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -36.4 | 176.3 | -93.7 | -82 | 0 | 0 | 0 | 112.4 | W4 A12 | W4-F8 HydrophobicContact CE3-CE2 4.36Å; W4-F8 WeakPolarHBondContact O-CD2 3.4Å; W4-F8 PolarHBondContact O-N 3.48Å; F8-A12 WeakPolarHBondContact O-CB 3.39Å; F8-A12 PolarHBondContact O-N 3.05Å |
| 9 | L | 53.7 | Low | 52.4 | Low | 111 Ų | 111 | 116.6 Ų | 116.6 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.5 | -40.7 | 173.4 | -106.4 | 123.3 | 0 | 0 | 0 | 112 | S5 L6 A12 T13 | S5-L9 PolarHBondContact O-N 3.13Å; L6-L9 PolarHBondContact O-N 3.36Å; L9-A12 PolarHBondContact O-N 2.57Å; L9-T13 WeakPolarHBondContact O-CB 3.46Å; L9-T13 WeakPolarHBondContact O-CG2 3.36Å; L9-T13 PolarHBondContact O-N 3.12Å; L9-T13 PolarHBondContact O-OG1 2.85Å |
| 10 | T | 52.9 | Low | 53.3 | Low | 78 Ų | 78 | 112.1 Ų | 112.1 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.5 | -40.5 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | L6 C7 T13 A14 | L6-T10 WeakPolarHBondContact O-CG2 3.32Å; L6-T10 PolarHBondContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.42Å; C7-T10 WeakPolarHBondContact CA-OG1 3.24Å; C7-T10 PolarHBondContact O-N 3.35Å; C7-T10 PolarHBondContact O-OG1 2.68Å; T10-T13 VanDerWaalsContact CA-OG1 3.32Å; T10-T13 WeakPolarHBondContact CA-OG1 3.25Å; T10-T13 PolarHBondContact O-N 3.28Å; T10-T13 PolarHBondContact O-OG1 3.26Å; T10-A14 VanDerWaalsContact O-CB 3.27Å; T10-A14 WeakPolarHBondContact O-CB 3.47Å; T10-A14 PolarHBondContact O-N 2.89Å |
| 11 | I | 52.4 | Low | 54.7 | Low | 93 Ų | 93 | 109.8 Ų | 109.8 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -39.9 | 175.8 | -64.8 | 165.7 | 0 | 0 | 0 | 110.9 | C7 A14 Y15 | C7-I11 WeakPolarHBondContact O-CB 3.37Å; C7-I11 WeakPolarHBondContact O-CD1 3.39Å; C7-I11 WeakPolarHBondContact O-CG1 3.26Å; C7-I11 PolarHBondContact O-N 2.69Å; I11-A14 PolarHBondContact O-N 2.96Å; I11-Y15 HydrophobicContact CG2-CD2 3.91Å; I11-Y15 HydrophobicContact CG2-CE2 4.25Å; I11-Y15 WeakPolarHBondContact O-CB 3.14Å; I11-Y15 PolarHBondContact O-N 3.07Å |
| 12 | A | 49.6 | Very low | 56.3 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F8 L9 A14 Y15 V16 | F8-A12 WeakPolarHBondContact O-CB 3.39Å; F8-A12 PolarHBondContact O-N 3.05Å; L9-A12 PolarHBondContact O-N 2.57Å; A12-A14 VanDerWaalsContact C-N 3.33Å; A12-A14 PolarHBondContact O-N 3.09Å; A12-Y15 PolarHBondContact O-N 2.75Å; A12-V16 WeakPolarHBondContact O-CB 3.24Å; A12-V16 VanDerWaalsContact O-CG2 3.22Å; A12-V16 WeakPolarHBondContact O-CG2 3.39Å; A12-V16 PolarHBondContact O-N 3.02Å |
| 13 | T | 48.2 | Very low | 57.8 | Low | 73 Ų | 73 | 93.1 Ų | 93.1 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | L9 T10 N17 | L9-T13 WeakPolarHBondContact O-CB 3.46Å; L9-T13 WeakPolarHBondContact O-CG2 3.36Å; L9-T13 PolarHBondContact O-N 3.12Å; L9-T13 PolarHBondContact O-OG1 2.85Å; T10-T13 VanDerWaalsContact CA-OG1 3.32Å; T10-T13 WeakPolarHBondContact CA-OG1 3.25Å; T10-T13 PolarHBondContact O-N 3.28Å; T10-T13 PolarHBondContact O-OG1 3.26Å; T13-N17 WeakPolarHBondContact O-CB 3.31Å; T13-N17 PolarHBondContact O-N 3.28Å; T13-N17 PolarHBondContact O-ND2 2.91Å; T13-N17 VanDerWaalsContact O-ND2 3.13Å |
| 14 | A | 46 | Very low | 59.2 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71 | -37.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T10 I11 A12 N17 A18 | T10-A14 VanDerWaalsContact O-CB 3.27Å; T10-A14 WeakPolarHBondContact O-CB 3.47Å; T10-A14 PolarHBondContact O-N 2.89Å; I11-A14 PolarHBondContact O-N 2.96Å; A12-A14 VanDerWaalsContact C-N 3.33Å; A12-A14 PolarHBondContact O-N 3.09Å; A14-N17 PolarHBondContact O-N 3.23Å; A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.37Å; A14-A18 VanDerWaalsContact O-N 3.09Å |
| 15 | Y | 46.1 | Very low | 60.8 | Low | 181 Ų | 181 | 83.2 Ų | 83.2 | 71% | 0.71 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.7 | -37.9 | 174.8 | -100 | -87.7 | 0 | 0 | 0 | 112.6 | I11 A12 N17 A18 | I11-Y15 HydrophobicContact CG2-CD2 3.91Å; I11-Y15 HydrophobicContact CG2-CE2 4.25Å; I11-Y15 WeakPolarHBondContact O-CB 3.14Å; I11-Y15 PolarHBondContact O-N 3.07Å; A12-Y15 PolarHBondContact O-N 2.75Å; Y15-N17 VanDerWaalsContact C-N 3.32Å; Y15-A18 PolarHBondContact O-N 2.78Å |
| 16 | V | 47.6 | Very low | 62.1 | Low | 103 Ų | 103 | 81 Ų | 81 | 62% | 0.624 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.7 | -30.1 | 174.4 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | A12 A18 | A12-V16 WeakPolarHBondContact O-CB 3.24Å; A12-V16 VanDerWaalsContact O-CG2 3.22Å; A12-V16 WeakPolarHBondContact O-CG2 3.39Å; A12-V16 PolarHBondContact O-N 3.02Å; V16-A18 VanDerWaalsContact C-N 3.33Å |
| 17 | N | 47.3 | Very low | 63.6 | Low | 136 Ų | 136 | 80.4 Ų | 80.4 | 73% | 0.727 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -6.7 | 172.3 | -72.2 | -22.4 | 0 | 0 | 0 | 114.3 | T13 A14 Y15 | T13-N17 WeakPolarHBondContact O-CB 3.31Å; T13-N17 PolarHBondContact O-N 3.28Å; T13-N17 PolarHBondContact O-ND2 2.91Å; T13-N17 VanDerWaalsContact O-ND2 3.13Å; A14-N17 PolarHBondContact O-N 3.23Å; Y15-N17 VanDerWaalsContact C-N 3.32Å |
| 18 | A | 49.1 | Very low | 64.9 | Low | 76 Ų | 76 | 82.5 Ų | 82.5 | 63% | 0.628 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -0.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A14 Y15 V16 S20 | A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.37Å; A14-A18 VanDerWaalsContact O-N 3.09Å; Y15-A18 PolarHBondContact O-N 2.78Å; V16-A18 VanDerWaalsContact C-N 3.33Å; A18-S20 PolarHBondContact O-N 3.39Å |
| 19 | I | 58.3 | Low | 66.2 | Low | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -77.7 | 113.8 | 173.3 | -56.4 | 176.5 | 0 | 0 | 0 | 107.7 | E23 K24 | I19-E23 HydrophobicContact CG2-CB 3.73Å; I19-K24 HydrophobicContact CG2-CB 4.07Å |
| 20 | S | 70.7 | Confident | 67.7 | Low | 26 Ų | 26 | 76 Ų | 76 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | trans | -60.9 | 157.8 | 175.3 | 27.8 | 0 | 0 | 0 | 0 | 112.1 | A18 Y22 E23 K24 G56 | A18-S20 PolarHBondContact O-N 3.39Å; S20-Y22 PolarHBondContact O-N 3.05Å; S20-Y22 VanDerWaalsContact O-N 3.16Å; S20-E23 VanDerWaalsContact CB-OE2 3.31Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact O-N 3.29Å; S20-E23 PolarHBondContact OG-OE1 3.45Å; S20-E23 PolarHBondContact OG-OE2 2.91Å; S20-K24 PolarHBondContact O-N 3.01Å; S20-G56 WeakPolarHBondContact OG-CA 3.35Å; S20-G56 PolarHBondContact OG-N 3.49Å | ||
| 21 | F | 81.8 | Confident | 69.2 | Low | 65 Ų | 65 | 75 Ų | 75 | 29% | 0.285 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -48.1 | -44.1 | -178.3 | 165.6 | -98.3 | 0 | 0 | 0 | 112.7 | K24 H25 L59 I62 M268 | F21-K24 PolarHBondContact O-N 3.11Å; F21-H25 HydrophobicContact CE2-CB 4.32Å; F21-H25 HydrophobicContact CZ-CB 4.26Å; F21-H25 WeakPolarHBondContact O-CB 3.31Å; F21-H25 PolarHBondContact O-N 3.04Å; F21-L59 HydrophobicContact CD1-CB 3.69Å; F21-L59 HydrophobicContact CD1-CD1 4.44Å; F21-L59 HydrophobicContact CD2-CB 4.16Å; F21-L59 HydrophobicContact CE1-CB 3.74Å; F21-L59 HydrophobicContact CE1-CD1 3.66Å; F21-L59 HydrophobicContact CE1-CG 4.18Å; F21-L59 HydrophobicContact CE2-CB 4.21Å; F21-L59 HydrophobicContact CE2-CD2 4.28Å; F21-L59 HydrophobicContact CG-CB 3.92Å; F21-L59 HydrophobicContact CZ-CB 4.01Å; F21-L59 HydrophobicContact CZ-CD1 3.8Å; F21-L59 HydrophobicContact CZ-CD2 4.15Å; F21-L59 HydrophobicContact CZ-CG 4.2Å; F21-I62 HydrophobicContact CD1-CD1 4.35Å; F21-M268 HydrophobicContact CE1-CE 4.22Å |
| 22 | Y | 84.9 | Confident | 70.5 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.4 | -49.9 | -176.5 | -179.2 | -111.3 | 0 | 0 | 0 | 113.4 | S20 H25 F26 L50 N51 F54 M55 I62 M268 Y269 | S20-Y22 PolarHBondContact O-N 3.05Å; S20-Y22 VanDerWaalsContact O-N 3.16Å; Y22-H25 PolarHBondContact O-N 3.36Å; Y22-F26 PolarHBondContact O-N 2.94Å; Y22-L50 HydrophobicContact CD1-CD2 4Å; Y22-L50 HydrophobicContact CE1-CB 4.36Å; Y22-L50 HydrophobicContact CE1-CD2 3.57Å; Y22-N51 WeakPolarHBondContact OH-CB 3.42Å; Y22-N51 PolarHBondContact OH-N 2.9Å; Y22-F54 HydrophobicContact CD1-CB 3.75Å; Y22-F54 WeakPolarHBondContact CD1-O 3.28Å; Y22-F54 HydrophobicContact CD2-CB 3.69Å; Y22-F54 HydrophobicContact CD2-CG 4.44Å; Y22-F54 HydrophobicContact CE1-CB 3.66Å; Y22-F54 HydrophobicContact CE2-CB 3.6Å; Y22-F54 HydrophobicContact CE2-CD2 4.07Å; Y22-F54 HydrophobicContact CE2-CG 4.1Å; Y22-F54 HydrophobicContact CG-CB 3.77Å; Y22-M55 HydrophobicContact CD1-SD 4.23Å; Y22-M55 HydrophobicContact CE1-SD 4.12Å; Y22-I62 HydrophobicContact CD2-CD1 4.49Å; Y22-M268 HydrophobicContact CD2-CB 4.37Å; Y22-M268 HydrophobicContact CD2-CE 4.4Å; Y22-M268 HydrophobicContact CE2-CB 3.71Å; Y22-M268 PolarHBondContact OH-O 3.25Å; Y22-Y269 HydrophobicContact CD2-CD1 4.4Å; Y22-Y269 AromaticContact CD2-CE1 3.53Å; Y22-Y269 HydrophobicContact CD2-CE1 3.53Å; Y22-Y269 AromaticContact CD2-CZ 3.75Å; Y22-Y269 WeakPolarHBondContact CD2-OH 3.13Å; Y22-Y269 HydrophobicContact CE1-CE1 4.19Å; Y22-Y269 AromaticContact CE2-CD1 3.52Å; Y22-Y269 HydrophobicContact CE2-CD1 3.52Å; Y22-Y269 AromaticContact CE2-CE1 3.07Å; Y22-Y269 HydrophobicContact CE2-CE1 3.07Å; Y22-Y269 HydrophobicContact CE2-CE2 4.44Å; Y22-Y269 HydrophobicContact CE2-CG 4.39Å; Y22-Y269 AromaticContact CE2-CZ 3.6Å; Y22-Y269 HydrophobicContact CG-CE1 4.24Å; Y22-Y269 AromaticContact CZ-CD1 3.58Å; Y22-Y269 AromaticContact CZ-CE1 3.45Å; Y22-Y269 VanDerWaalsContact CZ-CE1 3.45Å; Y22-Y269 PolarHBondContact O-OH 3.14Å; Y22-Y269 WeakPolarHBondContact OH-CD1 3.34Å |
| 23 | E | 87.9 | Confident | 71.8 | Confident | 37 Ų | 37 | 72.3 Ų | 72.3 | 17% | 0.173 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.7 | -37.4 | -178.7 | -66.8 | 87.9 | 154.4 | 0 | 0 | 111.6 | I19 S20 F26 L50 M55 G56 | I19-E23 HydrophobicContact CG2-CB 3.73Å; S20-E23 VanDerWaalsContact CB-OE2 3.31Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact O-N 3.29Å; S20-E23 PolarHBondContact OG-OE1 3.45Å; S20-E23 PolarHBondContact OG-OE2 2.91Å; E23-F26 WeakPolarHBondContact O-CB 3.21Å; E23-L50 HydrophobicContact CG-CD2 4.49Å; E23-M55 HydrophobicContact CG-CE 3.7Å; E23-M55 HydrophobicContact CG-SD 4Å; E23-M55 WeakPolarHBondContact OE1-CA 3.25Å; E23-M55 VanDerWaalsContact OE1-CE 3.26Å; E23-M55 WeakPolarHBondContact OE1-CE 3.36Å; E23-G56 PolarHBondContact OE1-N 2.74Å |
| 24 | K | 85.4 | Confident | 73.1 | Confident | 136 Ų | 136 | 70.3 Ų | 70.3 | 59% | 0.591 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.9 | -45.1 | 175.9 | -174.6 | 179.4 | 175.6 | -176.7 | 0 | 111.5 | I19 S20 F21 F26 E27 | I19-K24 HydrophobicContact CG2-CB 4.07Å; S20-K24 PolarHBondContact O-N 3.01Å; F21-K24 PolarHBondContact O-N 3.11Å; K24-F26 VanDerWaalsContact C-N 3.26Å; K24-F26 PolarHBondContact O-N 3.16Å; K24-E27 PolarHBondContact O-N 3.09Å |
| 25 | H | 87.1 | Confident | 74.6 | Confident | 29 Ų | 29 | 73.9 Ų | 73.9 | 13% | 0.134 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.7 | -26.2 | -179.4 | -167.2 | 82.5 | 0 | 0 | 0 | 112.2 | F21 Y22 E27 E28 I29 S265 Y269 | F21-H25 HydrophobicContact CE2-CB 4.32Å; F21-H25 HydrophobicContact CZ-CB 4.26Å; F21-H25 WeakPolarHBondContact O-CB 3.31Å; F21-H25 PolarHBondContact O-N 3.04Å; Y22-H25 PolarHBondContact O-N 3.36Å; H25-E27 VanDerWaalsContact C-N 3.32Å; H25-E27 PolarHBondContact O-N 3.25Å; H25-E28 IonicContact ND1-OE2 3.26Å; H25-E28 WeakPolarHBondContact O-CB 3.26Å; H25-E28 PolarHBondContact O-N 3.09Å; H25-I29 WeakPolarHBondContact O-CG1 3.42Å; H25-I29 PolarHBondContact O-N 2.99Å; H25-S265 WeakPolarHBondContact NE2-CB 3.28Å; H25-S265 PolarHBondContact NE2-OG 2.83Å; H25-Y269 WeakPolarHBondContact CB-OH 3.37Å; H25-Y269 AromaticContact CD2-CE2 3.85Å; H25-Y269 PolarHBondContact CD2-OH 3.17Å |
| 26 | F | 88.4 | Confident | 75.7 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.1 | -41 | 173.1 | -178.4 | -114.9 | 0 | 0 | 0 | 113.2 | Y22 E23 K24 E28 I29 K30 Y48 L50 Y269 | Y22-F26 PolarHBondContact O-N 2.94Å; E23-F26 WeakPolarHBondContact O-CB 3.21Å; K24-F26 VanDerWaalsContact C-N 3.26Å; K24-F26 PolarHBondContact O-N 3.16Å; F26-E28 VanDerWaalsContact C-N 3.31Å; F26-E28 PolarHBondContact O-N 2.96Å; F26-I29 PolarHBondContact O-N 3.49Å; F26-K30 HydrophobicContact CE1-CD 4.38Å; F26-K30 VanDerWaalsContact O-CB 3.28Å; F26-K30 WeakPolarHBondContact O-CB 3.44Å; F26-K30 PolarHBondContact O-N 2.93Å; F26-Y48 AromaticContact CE2-CD2 3.85Å; F26-Y48 HydrophobicContact CE2-CD2 3.85Å; F26-Y48 HydrophobicContact CE2-CE2 4.37Å; F26-Y48 HydrophobicContact CZ-CD2 4.34Å; F26-L50 HydrophobicContact CB-CD2 3.61Å; F26-L50 HydrophobicContact CB-CG 4.47Å; F26-L50 HydrophobicContact CD1-CD1 4.29Å; F26-L50 HydrophobicContact CD1-CD2 3.96Å; F26-L50 HydrophobicContact CD1-CG 3.88Å; F26-L50 HydrophobicContact CD2-CD2 4.1Å; F26-L50 HydrophobicContact CD2-CG 4.37Å; F26-L50 HydrophobicContact CE1-CG 4.16Å; F26-L50 HydrophobicContact CG-CD2 3.62Å; F26-L50 HydrophobicContact CG-CG 3.99Å; F26-Y269 HydrophobicContact CB-CD1 4.14Å; F26-Y269 HydrophobicContact CB-CE1 3.63Å; F26-Y269 AromaticContact CD2-CD1 3.37Å; F26-Y269 HydrophobicContact CD2-CD1 3.37Å; F26-Y269 AromaticContact CD2-CE1 3.8Å; F26-Y269 HydrophobicContact CD2-CE1 3.8Å; F26-Y269 AromaticContact CD2-CG 3.92Å; F26-Y269 HydrophobicContact CD2-CG 3.92Å; F26-Y269 HydrophobicContact CE2-CD1 4.17Å; F26-Y269 HydrophobicContact CG-CD1 4.16Å; F26-Y269 HydrophobicContact CG-CE1 4.16Å |
| 27 | E | 86.5 | Confident | 76.6 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 178.1 | -68.5 | -59 | 146.6 | 0 | 0 | 111.8 | K24 H25 K30 S31 | K24-E27 PolarHBondContact O-N 3.09Å; H25-E27 VanDerWaalsContact C-N 3.32Å; H25-E27 PolarHBondContact O-N 3.25Å; E27-K30 IonicContact OE1-NZ 3.62Å; E27-K30 IonicContact OE2-NZ 3.43Å; E27-S31 WeakPolarHBondContact O-CB 3.31Å; E27-S31 PolarHBondContact O-N 3.09Å |
| 28 | E | 84.4 | Confident | 77.4 | Confident | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 173.3 | -61.3 | -179 | -169.6 | 0 | 0 | 111.5 | H25 F26 S31 S32 | H25-E28 IonicContact ND1-OE2 3.26Å; H25-E28 WeakPolarHBondContact O-CB 3.26Å; H25-E28 PolarHBondContact O-N 3.09Å; F26-E28 VanDerWaalsContact C-N 3.31Å; F26-E28 PolarHBondContact O-N 2.96Å; E28-S31 WeakPolarHBondContact O-CB 2.97Å; E28-S31 PolarHBondContact O-N 3.04Å; E28-S32 WeakPolarHBondContact O-CB 3.29Å; E28-S32 PolarHBondContact O-N 2.84Å |
| 29 | I | 83.1 | Confident | 78.2 | Confident | 21 Ų | 21 | 74.6 Ų | 74.6 | 11% | 0.108 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 175.9 | -67.9 | -62.4 | 0 | 0 | 0 | 111.2 | H25 F26 S31 S32 L33 D266 Y269 | H25-I29 WeakPolarHBondContact O-CG1 3.42Å; H25-I29 PolarHBondContact O-N 2.99Å; F26-I29 PolarHBondContact O-N 3.49Å; I29-S31 VanDerWaalsContact C-N 3.28Å; I29-S31 PolarHBondContact O-N 2.95Å; I29-S32 PolarHBondContact O-N 3.13Å; I29-S32 VanDerWaalsContact O-N 3.17Å; I29-L33 HydrophobicContact CG2-CD1 3.7Å; I29-L33 HydrophobicContact CG2-CG 4.19Å; I29-L33 WeakPolarHBondContact O-CB 3.48Å; I29-L33 WeakPolarHBondContact O-CG 3.41Å; I29-L33 PolarHBondContact O-N 2.92Å; I29-D266 HydrophobicContact CD1-CB 4.06Å; I29-Y269 HydrophobicContact CG1-CD2 4.13Å; I29-Y269 HydrophobicContact CG1-CE2 3.83Å; I29-Y269 HydrophobicContact CG2-CD2 4.36Å |
| 30 | K | 84.9 | Confident | 78.5 | Confident | 97 Ų | 97 | 76.4 Ų | 76.4 | 42% | 0.422 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.6 | -176.3 | -179.7 | 171.1 | -165.5 | 0 | 111.7 | F26 E27 G34 Y48 | F26-K30 HydrophobicContact CE1-CD 4.38Å; F26-K30 VanDerWaalsContact O-CB 3.28Å; F26-K30 WeakPolarHBondContact O-CB 3.44Å; F26-K30 PolarHBondContact O-N 2.93Å; E27-K30 IonicContact OE1-NZ 3.62Å; E27-K30 IonicContact OE2-NZ 3.43Å; K30-G34 PolarHBondContact O-N 3.07Å; K30-Y48 HydrophobicContact CB-CE2 4.29Å; K30-Y48 HydrophobicContact CG-CE2 4.37Å |
| 31 | S | 83.5 | Confident | 77.9 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 173.8 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | E27 E28 I29 G34 K35 | E27-S31 WeakPolarHBondContact O-CB 3.31Å; E27-S31 PolarHBondContact O-N 3.09Å; E28-S31 WeakPolarHBondContact O-CB 2.97Å; E28-S31 PolarHBondContact O-N 3.04Å; I29-S31 VanDerWaalsContact C-N 3.28Å; I29-S31 PolarHBondContact O-N 2.95Å; S31-G34 PolarHBondContact O-N 2.94Å; S31-K35 WeakPolarHBondContact O-CG 3.18Å; S31-K35 PolarHBondContact O-N 3.42Å |
| 32 | S | 80.1 | Confident | 76.8 | Confident | 65 Ų | 65 | 80 Ų | 80 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 179 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | E28 I29 G34 K35 E36 | E28-S32 WeakPolarHBondContact O-CB 3.29Å; E28-S32 PolarHBondContact O-N 2.84Å; I29-S32 PolarHBondContact O-N 3.13Å; I29-S32 VanDerWaalsContact O-N 3.17Å; S32-G34 VanDerWaalsContact C-N 3.33Å; S32-G34 PolarHBondContact O-N 2.78Å; S32-K35 WeakPolarHBondContact O-CB 3.42Å; S32-K35 PolarHBondContact O-N 2.94Å; S32-E36 PolarHBondContact O-N 2.97Å |
| 33 | L | 76.5 | Confident | 76.1 | Confident | 23 Ų | 23 | 84.1 Ų | 84.1 | 12% | 0.12 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.6 | -35 | 177 | -68.4 | 177 | 0 | 0 | 0 | 112.3 | I29 E36 K37 V44 W46 Y48 | I29-L33 HydrophobicContact CG2-CD1 3.7Å; I29-L33 HydrophobicContact CG2-CG 4.19Å; I29-L33 WeakPolarHBondContact O-CB 3.48Å; I29-L33 WeakPolarHBondContact O-CG 3.41Å; I29-L33 PolarHBondContact O-N 2.92Å; L33-E36 PolarHBondContact O-N 3.33Å; L33-K37 PolarHBondContact O-N 3.37Å; L33-V44 HydrophobicContact CD2-CG1 3.78Å; L33-W46 HydrophobicContact CD1-CH2 4.47Å; L33-W46 HydrophobicContact CD1-CZ2 4.33Å; L33-Y48 HydrophobicContact CB-CE1 4.41Å; L33-Y48 HydrophobicContact CD1-CD1 3.66Å; L33-Y48 HydrophobicContact CD1-CD2 4.1Å; L33-Y48 HydrophobicContact CD1-CE1 3.55Å; L33-Y48 HydrophobicContact CD1-CE2 4.02Å; L33-Y48 HydrophobicContact CD1-CG 3.95Å |
| 34 | G | 76.4 | Confident | 75.4 | Confident | 31 Ų | 31 | 84 Ų | 84 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K30 S31 S32 K37 L38 | K30-G34 PolarHBondContact O-N 3.07Å; S31-G34 PolarHBondContact O-N 2.94Å; S32-G34 VanDerWaalsContact C-N 3.33Å; S32-G34 PolarHBondContact O-N 2.78Å; G34-K37 PolarHBondContact O-N 3.37Å; G34-L38 WeakPolarHBondContact O-CG 3.16Å; G34-L38 PolarHBondContact O-N 3.48Å |
| 35 | K | 76 | Confident | 75 | Confident | 131 Ų | 131 | 81.4 Ų | 81.4 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.4 | -39.1 | 175.8 | -71.7 | 170.1 | -177.4 | 173.4 | 0 | 112.4 | S31 S32 L38 K39 | S31-K35 WeakPolarHBondContact O-CG 3.18Å; S31-K35 PolarHBondContact O-N 3.42Å; S32-K35 WeakPolarHBondContact O-CB 3.42Å; S32-K35 PolarHBondContact O-N 2.94Å; K35-L38 PolarHBondContact O-N 2.67Å; K35-K39 PolarHBondContact O-N 2.84Å |
| 36 | E | 68.8 | Low | 74.8 | Confident | 52 Ų | 52 | 81 Ų | 81 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.1 | -75.4 | -155.8 | 147.9 | 0 | 0 | 112.4 | S32 L33 L38 K39 H40 R278 | S32-E36 PolarHBondContact O-N 2.97Å; L33-E36 PolarHBondContact O-N 3.33Å; E36-L38 PolarHBondContact O-N 2.71Å; E36-K39 PolarHBondContact O-N 2.85Å; E36-K39 VanDerWaalsContact O-N 3.11Å; E36-H40 PolarHBondContact O-N 2.81Å; E36-R278 IonicContact OE1-CZ 3.88Å; E36-R278 IonicContact OE1-NH1 2.88Å; E36-R278 PolarHBondContact OE1-NH1 3.3Å; E36-R278 IonicContact OE1-NH2 2.67Å; E36-R278 PolarHBondContact OE1-NH2 3.26Å; E36-R278 IonicContact OE2-CZ 3.17Å; E36-R278 IonicContact OE2-NH1 3.03Å; E36-R278 IonicContact OE2-NH2 3.89Å; E36-R278 PolarHBondContact OE2-NH2 2.92Å |
| 37 | K | 68.3 | Low | 74.7 | Confident | 133 Ų | 133 | 85.6 Ų | 85.6 | 58% | 0.578 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.5 | -37.6 | 175.8 | -174.3 | 177.2 | 177.8 | -178.5 | 0 | 111.7 | L33 G34 G41 | L33-K37 PolarHBondContact O-N 3.37Å; G34-K37 PolarHBondContact O-N 3.37Å; K37-G41 WeakPolarHBondContact O-CA 3.41Å; K37-G41 PolarHBondContact O-N 3.2Å; K37-G41 VanDerWaalsContact O-N 3.14Å |
| 38 | L | 64.3 | Low | 74.7 | Confident | 153 Ų | 153 | 84.2 Ų | 84.2 | 80% | 0.801 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.6 | -37.6 | 175.1 | -70.5 | 166.3 | 0 | 0 | 0 | 112.9 | G34 K35 E36 | G34-L38 WeakPolarHBondContact O-CG 3.16Å; G34-L38 PolarHBondContact O-N 3.48Å; K35-L38 PolarHBondContact O-N 2.67Å; E36-L38 PolarHBondContact O-N 2.71Å |
| 39 | K | 65 | Low | 75.1 | Confident | 173 Ų | 173 | 79.5 Ų | 79.5 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -77.9 | -40.3 | -177.6 | -79.6 | -174.4 | 176.6 | -176.2 | 0 | 114.2 | K35 E36 | K35-K39 PolarHBondContact O-N 2.84Å; E36-K39 PolarHBondContact O-N 2.85Å; E36-K39 VanDerWaalsContact O-N 3.11Å |
| 40 | H | 63.5 | Low | 75.4 | Confident | 132 Ų | 132 | 81.3 Ų | 81.3 | 61% | 0.611 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -110.4 | -5.2 | -172.4 | -68.7 | -64.1 | 0 | 0 | 0 | 114.2 | E36 T42 | E36-H40 PolarHBondContact O-N 2.81Å; H40-T42 PolarHBondContact O-N 3.05Å |
| 41 | G | 59.6 | Low | 75.7 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 67.7 | -4.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K37 | K37-G41 WeakPolarHBondContact O-CA 3.41Å; K37-G41 PolarHBondContact O-N 3.2Å; K37-G41 VanDerWaalsContact O-N 3.14Å |
| 42 | T | 59.1 | Low | 75.8 | Confident | 99 Ų | 99 | 80.9 Ų | 80.9 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -102.8 | 131.8 | 180 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | H40 | H40-T42 PolarHBondContact O-N 3.05Š|
| 43 | S | 68.7 | Low | 76 | Confident | 87 Ų | 87 | 81.3 Ų | 81.3 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 146.3 | 166.1 | 55.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 44 | V | 73.5 | Confident | 76.5 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 21% | 0.212 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -57 | 143.4 | 168.3 | -72.6 | 0 | 0 | 0 | 0 | 111 | L33 W46 Y48 | L33-V44 HydrophobicContact CD2-CG1 3.78Å; V44-W46 WeakPolarHBondContact CG2-O 3.46Å; V44-W46 PolarHBondContact O-N 3.01Å; V44-Y48 HydrophobicContact CG2-CD1 4.47Å |
| 45 | P | 77.8 | Confident | 77 | Confident | 81 Ų | 81 | 83.9 Ų | 83.9 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -74.8 | 12.2 | -176 | 29 | -34.1 | 0 | 0 | 0 | 114.5 | L274 | P45-L274 HydrophobicContact CB-CB 4.36Å; P45-L274 WeakPolarHBondContact CG-O 3.25Å; P45-L274 PolarHBondContact O-N 2.81Å |
| 46 | W | 81.9 | Confident | 77.3 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 7% | 0.072 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.4 | -178 | 59.7 | -79.1 | 0 | 0 | 0 | 110.8 | L33 V44 Y48 D266 Y270 Q272 F275 | L33-W46 HydrophobicContact CD1-CH2 4.47Å; L33-W46 HydrophobicContact CD1-CZ2 4.33Å; V44-W46 WeakPolarHBondContact CG2-O 3.46Å; V44-W46 PolarHBondContact O-N 3.01Å; W46-Y48 HydrophobicContact CZ3-CG 4.37Å; W46-D266 HydrophobicContact CH2-CB 4.38Å; W46-Y270 HydrophobicContact CB-CD2 4.07Å; W46-Y270 HydrophobicContact CB-CE2 4.02Å; W46-Y270 HydrophobicContact CD2-CD2 4.34Å; W46-Y270 AromaticContact CE3-CD2 3.8Å; W46-Y270 HydrophobicContact CE3-CD2 3.8Å; W46-Y270 HydrophobicContact CE3-CG 4.47Å; W46-Y270 HydrophobicContact CG-CD2 4.46Å; W46-Q272 CarbonylContact C-O 3.57Å; W46-Q272 VanDerWaalsContact CA-O 3.25Å; W46-Q272 WeakPolarHBondContact CA-O 3.04Å; W46-Q272 WeakPolarHBondContact CB-O 3.46Å; W46-F275 AromaticContact CD2-CD2 3.87Å; W46-F275 HydrophobicContact CD2-CD2 3.87Å; W46-F275 HydrophobicContact CD2-CE2 4.4Å; W46-F275 AromaticContact CE2-CD2 3.83Å; W46-F275 AromaticContact CE2-CE2 3.98Å; W46-F275 HydrophobicContact CE3-CD2 4.11Å; W46-F275 HydrophobicContact CG-CD2 4.29Å; W46-F275 HydrophobicContact CH2-CD2 4.33Å; W46-F275 AromaticContact CH2-CE2 3.96Å; W46-F275 HydrophobicContact CH2-CE2 3.96Å; W46-F275 HydrophobicContact CZ2-CD2 4.11Å; W46-F275 AromaticContact CZ2-CE2 3.79Å; W46-F275 HydrophobicContact CZ2-CE2 3.79Å; W46-F275 HydrophobicContact CZ3-CD2 4.28Å; W46-F275 HydrophobicContact CZ3-CE2 4.3Å |
| 47 | K | 86 | Confident | 78 | Confident | 122 Ų | 122 | 77.7 Ų | 77.7 | 53% | 0.53 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.3 | 170.4 | -55.3 | -169.8 | -168.2 | 159.7 | 0 | 109.6 | K271 Q272 | K47-K271 PolarHBondContact O-N 3.4Å; K47-Q272 HydrophobicContact CB-CG 3.64Å; K47-Q272 HydrophobicContact CD-CG 3.69Å; K47-Q272 VanDerWaalsContact CE-CD 3.48Å; K47-Q272 HydrophobicContact CG-CG 3.7Å; K47-Q272 PolarHBondContact N-O 2.88Å; K47-Q272 VanDerWaalsContact NZ-NE2 3.13Å; K47-Q272 VanDerWaalsContact NZ-OE1 3.1Å; K47-Q272 PolarHBondContact O-N 2.87Å |
| 48 | Y | 88.2 | Confident | 78.8 | Confident | 78 Ų | 78 | 73.4 Ų | 73.4 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154 | -178.8 | 63.8 | -86.1 | 0 | 0 | 0 | 112.1 | F26 K30 L33 V44 W46 Y269 | F26-Y48 AromaticContact CE2-CD2 3.85Å; F26-Y48 HydrophobicContact CE2-CD2 3.85Å; F26-Y48 HydrophobicContact CE2-CE2 4.37Å; F26-Y48 HydrophobicContact CZ-CD2 4.34Å; K30-Y48 HydrophobicContact CB-CE2 4.29Å; K30-Y48 HydrophobicContact CG-CE2 4.37Å; L33-Y48 HydrophobicContact CB-CE1 4.41Å; L33-Y48 HydrophobicContact CD1-CD1 3.66Å; L33-Y48 HydrophobicContact CD1-CD2 4.1Å; L33-Y48 HydrophobicContact CD1-CE1 3.55Å; L33-Y48 HydrophobicContact CD1-CE2 4.02Å; L33-Y48 HydrophobicContact CD1-CG 3.95Å; V44-Y48 HydrophobicContact CG2-CD1 4.47Å; W46-Y48 HydrophobicContact CZ3-CG 4.37Å; Y48-Y269 CarbonylContact C-O 3.38Å; Y48-Y269 WeakPolarHBondContact CA-O 3.49Å; Y48-Y269 WeakPolarHBondContact CB-O 3.3Å |
| 49 | G | 90.9 | Very high | 79.6 | Confident | 12 Ų | 12 | 68.9 Ų | 68.9 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | trans | 178.9 | 167.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | N51 Y269 | G49-N51 PolarHBondContact O-N 3.33Å; G49-Y269 PolarHBondContact N-O 3.16Å; G49-Y269 CarbonylContact O-C 3.51Å; G49-Y269 WeakPolarHBondContact O-CA 3.26Å; G49-Y269 VanDerWaalsContact O-O 3.13Å | ||
| 50 | L | 90.7 | Very high | 80.4 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | trans | -63.2 | 132 | 174.9 | -66.6 | 172.1 | 0 | 0 | 0 | 111 | Y22 E23 F26 M55 Y269 K271 | Y22-L50 HydrophobicContact CD1-CD2 4Å; Y22-L50 HydrophobicContact CE1-CB 4.36Å; Y22-L50 HydrophobicContact CE1-CD2 3.57Å; E23-L50 HydrophobicContact CG-CD2 4.49Å; F26-L50 HydrophobicContact CB-CD2 3.61Å; F26-L50 HydrophobicContact CB-CG 4.47Å; F26-L50 HydrophobicContact CD1-CD1 4.29Å; F26-L50 HydrophobicContact CD1-CD2 3.96Å; F26-L50 HydrophobicContact CD1-CG 3.88Å; F26-L50 HydrophobicContact CD2-CD2 4.1Å; F26-L50 HydrophobicContact CD2-CG 4.37Å; F26-L50 HydrophobicContact CE1-CG 4.16Å; F26-L50 HydrophobicContact CG-CD2 3.62Å; F26-L50 HydrophobicContact CG-CG 3.99Å; L50-M55 HydrophobicContact CB-SD 4Å; L50-M55 HydrophobicContact CD1-SD 4.22Å; L50-M55 HydrophobicContact CD2-SD 4.34Å; L50-M55 HydrophobicContact CG-SD 4.43Å; L50-Y269 HydrophobicContact CD2-CD1 4.42Å; L50-Y269 HydrophobicContact CD2-CE1 4.25Å; L50-K271 WeakPolarHBondContact O-CE 3.38Å; L50-K271 PolarHBondContact O-NZ 3.16Å | ||
| 51 | N | 89.8 | Confident | 81.3 | Confident | 33 Ų | 33 | 59.6 Ų | 59.6 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | trans | -104.2 | 124.1 | 176 | -76.9 | -54.3 | 0 | 0 | 0 | 110 | Y22 G49 Y53 F54 M55 M268 Y270 K271 | Y22-N51 WeakPolarHBondContact OH-CB 3.42Å; Y22-N51 PolarHBondContact OH-N 2.9Å; G49-N51 PolarHBondContact O-N 3.33Å; N51-Y53 PolarHBondContact O-N 3.48Å; N51-F54 HydrophobicContact CB-CD2 3.95Å; N51-F54 PolarHBondContact O-N 3.01Å; N51-M55 PolarHBondContact O-N 3.25Å; N51-M268 PolarHBondContact ND2-O 2.84Å; N51-Y270 PolarHBondContact ND2-O 2.74Å; N51-K271 WeakPolarHBondContact OD1-CD 3.37Å; N51-K271 WeakPolarHBondContact OD1-CE 3.27Å; N51-K271 PolarHBondContact OD1-NZ 2.97Å | ||
| 52 | D | 86.6 | Confident | 82.5 | Confident | 115 Ų | 115 | 56.7 Ų | 56.7 | 62% | 0.615 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -30.3 | -179 | -66.8 | 6.3 | 0 | 0 | 0 | 113.9 | F54 | D52-F54 VanDerWaalsContact C-N 3.32Å; D52-F54 PolarHBondContact O-N 3.12Å |
| 53 | Y | 84.7 | Confident | 83.7 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 29% | 0.29 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.7 | 179.2 | -174 | -95 | 0 | 0 | 0 | 113.6 | N51 K57 L65 S120 | N51-Y53 PolarHBondContact O-N 3.48Å; Y53-K57 WeakPolarHBondContact O-CE 3.46Å; Y53-L65 HydrophobicContact CE1-CD1 3.85Å; Y53-S120 PolarHBondContact OH-O 3.42Å; Y53-S120 VanDerWaalsContact OH-O 3.11Å |
| 54 | F | 86.9 | Confident | 84.5 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -6.4 | -178.6 | -59.6 | -65.1 | 0 | 0 | 0 | 113.6 | Y22 N51 D52 G56 K57 I62 L65 M268 | Y22-F54 HydrophobicContact CD1-CB 3.75Å; Y22-F54 WeakPolarHBondContact CD1-O 3.28Å; Y22-F54 HydrophobicContact CD2-CB 3.69Å; Y22-F54 HydrophobicContact CD2-CG 4.44Å; Y22-F54 HydrophobicContact CE1-CB 3.66Å; Y22-F54 HydrophobicContact CE2-CB 3.6Å; Y22-F54 HydrophobicContact CE2-CD2 4.07Å; Y22-F54 HydrophobicContact CE2-CG 4.1Å; Y22-F54 HydrophobicContact CG-CB 3.77Å; N51-F54 HydrophobicContact CB-CD2 3.95Å; N51-F54 PolarHBondContact O-N 3.01Å; D52-F54 VanDerWaalsContact C-N 3.32Å; D52-F54 PolarHBondContact O-N 3.12Å; F54-G56 PolarHBondContact O-N 3.47Å; F54-K57 HydrophobicContact CD1-CD 4.37Å; F54-K57 WeakPolarHBondContact O-CB 3.41Å; F54-K57 PolarHBondContact O-N 2.99Å; F54-K57 VanDerWaalsContact O-N 3.07Å; F54-I62 HydrophobicContact CD1-CD1 4.49Å; F54-I62 HydrophobicContact CD1-CG1 4.21Å; F54-L65 HydrophobicContact CE1-CD1 4.49Å; F54-M268 HydrophobicContact CD2-CB 4.17Å; F54-M268 HydrophobicContact CE2-CB 4.16Å |
| 55 | M | 86 | Confident | 85.2 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.6 | 177.2 | -65.9 | -62.9 | -65.3 | 0 | 0 | 110.4 | Y22 E23 L50 N51 K57 | Y22-M55 HydrophobicContact CD1-SD 4.23Å; Y22-M55 HydrophobicContact CE1-SD 4.12Å; E23-M55 HydrophobicContact CG-CE 3.7Å; E23-M55 HydrophobicContact CG-SD 4Å; E23-M55 WeakPolarHBondContact OE1-CA 3.25Å; E23-M55 VanDerWaalsContact OE1-CE 3.26Å; E23-M55 WeakPolarHBondContact OE1-CE 3.36Å; L50-M55 HydrophobicContact CB-SD 4Å; L50-M55 HydrophobicContact CD1-SD 4.22Å; L50-M55 HydrophobicContact CD2-SD 4.34Å; L50-M55 HydrophobicContact CG-SD 4.43Å; N51-M55 PolarHBondContact O-N 3.25Å; M55-K57 VanDerWaalsContact C-N 3.29Å; M55-K57 PolarHBondContact O-N 3.26Å |
| 56 | G | 83 | Confident | 85.7 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -11 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | S20 E23 F54 | S20-G56 WeakPolarHBondContact OG-CA 3.35Å; S20-G56 PolarHBondContact OG-N 3.49Å; E23-G56 PolarHBondContact OE1-N 2.74Å; F54-G56 PolarHBondContact O-N 3.47Å |
| 57 | K | 84 | Confident | 86 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | trans | -82.4 | 140.9 | -173.9 | -67.3 | -172.2 | -175.7 | -78.3 | 0 | 112.6 | Y53 F54 M55 D61 I62 L65 N121 | Y53-K57 WeakPolarHBondContact O-CE 3.46Å; F54-K57 HydrophobicContact CD1-CD 4.37Å; F54-K57 WeakPolarHBondContact O-CB 3.41Å; F54-K57 PolarHBondContact O-N 2.99Å; F54-K57 VanDerWaalsContact O-N 3.07Å; M55-K57 VanDerWaalsContact C-N 3.29Å; M55-K57 PolarHBondContact O-N 3.26Å; K57-D61 HydrophobicContact CB-CB 4.15Å; K57-D61 HydrophobicContact CG-CB 4.45Å; K57-I62 HydrophobicContact CB-CD1 4.32Å; K57-I62 HydrophobicContact CB-CG1 3.98Å; K57-I62 HydrophobicContact CD-CG1 4.48Å; K57-L65 HydrophobicContact CD-CD1 4.3Å; K57-N121 PolarHBondContact NZ-OD1 2.81Å | ||
| 58 | S | 83.6 | Confident | 85.9 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | trans | -78.7 | 164.3 | 169.6 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | S60 D61 I62 | S58-S60 PolarHBondContact O-N 3.22Å; S58-S60 PolarHBondContact OG-N 2.79Å; S58-D61 VanDerWaalsContact CB-OD2 3.29Å; S58-D61 WeakPolarHBondContact CB-OD2 2.99Å; S58-D61 PolarHBondContact N-OD2 3.43Å; S58-D61 PolarHBondContact O-N 3.15Å; S58-D61 PolarHBondContact OG-N 2.95Å; S58-D61 VanDerWaalsContact OG-N 3.11Å; S58-D61 PolarHBondContact OG-OD2 3.33Å; S58-I62 WeakPolarHBondContact O-CG1 3.28Å; S58-I62 PolarHBondContact O-N 3.19Å; S58-I62 VanDerWaalsContact O-N 3.07Å | ||
| 59 | L | 81.6 | Confident | 85 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58 | -35 | 172.2 | 179.5 | 59.4 | 0 | 0 | 0 | 111.9 | F21 I62 R63 | F21-L59 HydrophobicContact CD1-CB 3.69Å; F21-L59 HydrophobicContact CD1-CD1 4.44Å; F21-L59 HydrophobicContact CD2-CB 4.16Å; F21-L59 HydrophobicContact CE1-CB 3.74Å; F21-L59 HydrophobicContact CE1-CD1 3.66Å; F21-L59 HydrophobicContact CE1-CG 4.18Å; F21-L59 HydrophobicContact CE2-CB 4.21Å; F21-L59 HydrophobicContact CE2-CD2 4.28Å; F21-L59 HydrophobicContact CG-CB 3.92Å; F21-L59 HydrophobicContact CZ-CB 4.01Å; F21-L59 HydrophobicContact CZ-CD1 3.8Å; F21-L59 HydrophobicContact CZ-CD2 4.15Å; F21-L59 HydrophobicContact CZ-CG 4.2Å; L59-I62 PolarHBondContact O-N 3.49Å; L59-R63 HydrophobicContact CD1-CG 4.42Å; L59-R63 WeakPolarHBondContact O-CB 3.46Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 3.45Å |
| 60 | S | 81.4 | Confident | 83.4 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 176.6 | -168 | 0 | 0 | 0 | 0 | 111.4 | S58 I62 R63 N64 | S58-S60 PolarHBondContact O-N 3.22Å; S58-S60 PolarHBondContact OG-N 2.79Å; S60-I62 VanDerWaalsContact C-N 3.27Å; S60-I62 PolarHBondContact O-N 3Å; S60-R63 PolarHBondContact O-N 2.04Å; S60-N64 PolarHBondContact O-N 3.1Å; S60-N64 PolarHBondContact O-ND2 3.07Å; S60-N64 VanDerWaalsContact O-ND2 3.13Å; S60-N64 PolarHBondContact O-OD1 2.84Å |
| 61 | D | 83.1 | Confident | 81.5 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 177.9 | -59.9 | -49.2 | 0 | 0 | 0 | 110.9 | K57 S58 N64 L65 | K57-D61 HydrophobicContact CB-CB 4.15Å; K57-D61 HydrophobicContact CG-CB 4.45Å; S58-D61 VanDerWaalsContact CB-OD2 3.29Å; S58-D61 WeakPolarHBondContact CB-OD2 2.99Å; S58-D61 PolarHBondContact N-OD2 3.43Å; S58-D61 PolarHBondContact O-N 3.15Å; S58-D61 PolarHBondContact OG-N 2.95Å; S58-D61 VanDerWaalsContact OG-N 3.11Å; S58-D61 PolarHBondContact OG-OD2 3.33Å; D61-N64 PolarHBondContact O-N 3.27Å; D61-L65 WeakPolarHBondContact O-CG 2.99Å; D61-L65 PolarHBondContact O-N 2.87Å |
| 62 | I | 84.8 | Confident | 79.5 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 178.1 | -66 | 169.7 | 0 | 0 | 0 | 110.8 | F21 Y22 F54 K57 S58 L59 S60 N64 L65 M268 | F21-I62 HydrophobicContact CD1-CD1 4.35Å; Y22-I62 HydrophobicContact CD2-CD1 4.49Å; F54-I62 HydrophobicContact CD1-CD1 4.49Å; F54-I62 HydrophobicContact CD1-CG1 4.21Å; K57-I62 HydrophobicContact CB-CD1 4.32Å; K57-I62 HydrophobicContact CB-CG1 3.98Å; K57-I62 HydrophobicContact CD-CG1 4.48Å; S58-I62 WeakPolarHBondContact O-CG1 3.28Å; S58-I62 PolarHBondContact O-N 3.19Å; S58-I62 VanDerWaalsContact O-N 3.07Å; L59-I62 PolarHBondContact O-N 3.49Å; S60-I62 VanDerWaalsContact C-N 3.27Å; S60-I62 PolarHBondContact O-N 3Å; I62-N64 VanDerWaalsContact C-N 3.26Å; I62-N64 PolarHBondContact O-N 2.63Å; I62-L65 WeakPolarHBondContact O-CB 3.47Å; I62-L65 PolarHBondContact O-N 3.17Å; I62-L65 VanDerWaalsContact O-N 3.1Å; I62-M268 HydrophobicContact CB-SD 4.4Å; I62-M268 HydrophobicContact CD1-CE 4.3Å; I62-M268 HydrophobicContact CD1-SD 3.57Å; I62-M268 VanDerWaalsContact CD1-SD 3.57Å; I62-M268 HydrophobicContact CG1-SD 4.33Å; I62-M268 HydrophobicContact CG2-SD 3.43Å; I62-M268 WeakPolarHBondContact CG2-SD 3.31Å |
| 63 | R | 85.1 | Confident | 77.5 | Confident | 161 Ų | 161 | 56.8 Ų | 56.8 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.3 | -37.9 | 177.1 | -78.6 | 177.9 | 177.1 | 160.3 | -2 | 112.1 | L59 S60 L65 L66 | L59-R63 HydrophobicContact CD1-CG 4.42Å; L59-R63 WeakPolarHBondContact O-CB 3.46Å; L59-R63 WeakPolarHBondContact O-CG 3.43Å; L59-R63 PolarHBondContact O-N 3.45Å; S60-R63 PolarHBondContact O-N 2.04Å; R63-L65 PolarHBondContact O-N 3.42Å; R63-L66 WeakPolarHBondContact O-CB 3.06Å; R63-L66 PolarHBondContact O-N 2.95Å |
| 64 | N | 84.8 | Confident | 75.7 | Confident | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -22 | 178.4 | -64.2 | -24 | 0 | 0 | 0 | 113.3 | S60 D61 I62 L66 G123 N209 | S60-N64 PolarHBondContact O-N 3.1Å; S60-N64 PolarHBondContact O-ND2 3.07Å; S60-N64 VanDerWaalsContact O-ND2 3.13Å; S60-N64 PolarHBondContact O-OD1 2.84Å; D61-N64 PolarHBondContact O-N 3.27Å; I62-N64 VanDerWaalsContact C-N 3.26Å; I62-N64 PolarHBondContact O-N 2.63Å; N64-L66 VanDerWaalsContact C-N 3.3Å; N64-G123 WeakPolarHBondContact O-CA 3.34Å; N64-G123 PolarHBondContact O-N 2.92Å; N64-N209 WeakPolarHBondContact CB-OD1 3.48Å; N64-N209 PolarHBondContact ND2-ND2 2.71Å; N64-N209 PolarHBondContact ND2-OD1 2.62Å; N64-N209 VanDerWaalsContact ND2-OD1 3.09Å |
| 65 | L | 87.9 | Confident | 73.5 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -75.5 | -20.5 | 171.7 | -59.4 | 175.3 | 0 | 0 | 0 | 112.4 | Y53 F54 K57 D61 I62 R63 G67 Q119 S120 | Y53-L65 HydrophobicContact CE1-CD1 3.85Å; F54-L65 HydrophobicContact CE1-CD1 4.49Å; K57-L65 HydrophobicContact CD-CD1 4.3Å; D61-L65 WeakPolarHBondContact O-CG 2.99Å; D61-L65 PolarHBondContact O-N 2.87Å; I62-L65 WeakPolarHBondContact O-CB 3.47Å; I62-L65 PolarHBondContact O-N 3.17Å; I62-L65 VanDerWaalsContact O-N 3.1Å; R63-L65 PolarHBondContact O-N 3.42Å; L65-G67 PolarHBondContact O-N 3.35Å; L65-Q119 PolarHBondContact O-NE2 3.41Å; L65-S120 WeakPolarHBondContact CD2-O 3.44Å |
| 66 | L | 89.1 | Confident | 71.4 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 42% | 0.424 | 35% | 0.35 | S | S | . | . | trans | -84.6 | 62.3 | -179 | -54.2 | -177.9 | 0 | 0 | 0 | 111 | R63 N64 Y68 V263 | R63-L66 WeakPolarHBondContact O-CB 3.06Å; R63-L66 PolarHBondContact O-N 2.95Å; N64-L66 VanDerWaalsContact C-N 3.3Å; L66-Y68 PolarHBondContact O-N 3.27Å; L66-V263 HydrophobicContact CD1-CB 4.06Å; L66-V263 HydrophobicContact CD1-CG1 4.48Å; L66-V263 HydrophobicContact CD1-CG2 4.47Å; L66-V263 HydrophobicContact CD2-CB 4.29Å; L66-V263 HydrophobicContact CD2-CG2 3.93Å | ||
| 67 | G | 88 | Confident | 69.7 | Low | 7 Ų | 7 | 61 Ų | 61 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | trans | -74.4 | 20.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | L65 P69 G123 C125 G168 G169 | L65-G67 PolarHBondContact O-N 3.35Å; G67-P69 WeakPolarHBondContact O-CD 3Å; G67-G123 WeakPolarHBondContact CA-O 3.29Å; G67-C125 PolarHBondContact N-SG 3.38Å; G67-C125 VanDerWaalsContact N-SG 3.44Å; G67-G168 CarbonylContact O-C 3.53Å; G67-G168 WeakPolarHBondContact O-CA 3.37Å; G67-G169 PolarHBondContact O-N 3.31Å | ||
| 68 | Y | 84.4 | Confident | 68.1 | Low | 30 Ų | 30 | 67 Ų | 67 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | trans | -107.4 | 101.4 | 170.3 | -177.4 | -140.9 | 0 | 0 | 0 | 108.8 | L66 L70 G169 Y170 P171 Y289 | L66-Y68 PolarHBondContact O-N 3.27Å; Y68-L70 HydrophobicContact CD1-CD2 3.75Å; Y68-L70 HydrophobicContact CD1-CG 4.35Å; Y68-L70 HydrophobicContact CE1-CD2 3.55Å; Y68-L70 PolarHBondContact O-N 3.41Å; Y68-G169 WeakPolarHBondContact CD2-O 3.32Å; Y68-Y170 HydrophobicContact CD2-CD2 4.44Å; Y68-Y170 AromaticContact CE2-CD2 3.57Å; Y68-Y170 HydrophobicContact CE2-CD2 3.57Å; Y68-Y170 AromaticContact CE2-CE2 3.74Å; Y68-Y170 HydrophobicContact CE2-CE2 3.74Å; Y68-Y170 HydrophobicContact CE2-CG 4.46Å; Y68-P171 HydrophobicContact CD2-CG 4.25Å; Y68-P171 HydrophobicContact CE2-CG 4.18Å; Y68-Y289 HydrophobicContact CE1-CD1 4.1Å; Y68-Y289 HydrophobicContact CE1-CG 4.35Å | ||
| 69 | P | 68 | Low | 66.5 | Low | 71 Ų | 71 | 70.2 Ų | 70.2 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | trans | -66 | 108.5 | 174.7 | 27 | -31.7 | 0 | 0 | 0 | 108 | G67 E71 | G67-P69 WeakPolarHBondContact O-CD 3Å; P69-E71 VanDerWaalsContact C-N 3.26Å; P69-E71 PolarHBondContact O-N 3.16Å | ||
| 70 | L | 58.8 | Low | 65.4 | Low | 60 Ų | 60 | 71 Ų | 71 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | trans | -74.1 | 85.7 | 172.1 | -70.3 | 169.4 | 0 | 0 | 0 | 108.2 | Y68 T262 Y289 | Y68-L70 HydrophobicContact CD1-CD2 3.75Å; Y68-L70 HydrophobicContact CD1-CG 4.35Å; Y68-L70 HydrophobicContact CE1-CD2 3.55Å; Y68-L70 PolarHBondContact O-N 3.41Å; L70-T262 WeakPolarHBondContact CD1-OG1 3.43Å; L70-Y289 HydrophobicContact CD2-CD1 3.63Å; L70-Y289 HydrophobicContact CD2-CD2 4.05Å; L70-Y289 HydrophobicContact CD2-CE1 3.64Å; L70-Y289 HydrophobicContact CD2-CE2 4.06Å; L70-Y289 HydrophobicContact CD2-CG 3.83Å | ||
| 71 | E | 49.6 | Very low | 64.7 | Low | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | trans | -81.5 | 137.2 | 158.6 | -70.9 | -174.7 | -179.3 | 0 | 0 | 108.5 | P69 A73 | P69-E71 VanDerWaalsContact C-N 3.26Å; P69-E71 PolarHBondContact O-N 3.16Å; E71-A73 PolarHBondContact O-N 2.84Å | ||
| 72 | P | 47.9 | Very low | 64 | Low | 98 Ų | 98 | 66.6 Ų | 66.6 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | trans | -53.9 | 132.5 | 170.6 | -18.9 | 29.1 | 0 | 0 | 0 | 109.1 | T74 | P72-T74 PolarHBondContact O-N 3.19Š| ||
| 73 | A | 44.8 | Very low | 63.4 | Low | 34 Ų | 34 | 66.5 Ų | 66.5 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | trans | -55.7 | 109.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | E71 D77 | E71-A73 PolarHBondContact O-N 2.84Å; A73-D77 WeakPolarHBondContact CA-OD2 3.45Å | ||
| 74 | T | 46 | Very low | 62.4 | Low | 58 Ų | 58 | 59.2 Ų | 59.2 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | trans | -73.9 | 162.2 | 178.7 | 66 | 0 | 0 | 0 | 0 | 110.3 | P72 S76 D77 R78 | P72-T74 PolarHBondContact O-N 3.19Å; T74-S76 PolarHBondContact O-N 3.19Å; T74-S76 PolarHBondContact OG1-OG 2.84Å; T74-D77 PolarHBondContact N-OD2 3.47Å; T74-D77 PolarHBondContact O-N 2.92Å; T74-D77 PolarHBondContact OG1-N 2.99Å; T74-D77 PolarHBondContact OG1-OD1 3.25Å; T74-R78 PolarHBondContact O-N 3.45Å | ||
| 75 | E | 42.1 | Very low | 61.4 | Low | 160 Ų | 160 | 60.2 Ų | 60.2 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -35.1 | 171.5 | -162.6 | 101.9 | -157.5 | 0 | 0 | 111 | R78 | E75-R78 PolarHBondContact O-N 2.84Š|
| 76 | S | 42.3 | Very low | 59.9 | Low | 75 Ų | 75 | 61.5 Ų | 61.5 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -39.8 | 173.3 | 30.4 | 0 | 0 | 0 | 0 | 113.1 | T74 R78 T79 E80 | T74-S76 PolarHBondContact O-N 3.19Å; T74-S76 PolarHBondContact OG1-OG 2.84Å; S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 PolarHBondContact O-N 3.38Å; S76-T79 PolarHBondContact O-N 2.84Å; S76-T79 PolarHBondContact O-OG1 3.32Å; S76-E80 PolarHBondContact O-N 2.87Å |
| 77 | D | 47.3 | Very low | 58.1 | Low | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -32 | -179.4 | -58.1 | -9.4 | 0 | 0 | 0 | 112.6 | A73 T74 T79 E80 F81 R239 | A73-D77 WeakPolarHBondContact CA-OD2 3.45Å; T74-D77 PolarHBondContact N-OD2 3.47Å; T74-D77 PolarHBondContact O-N 2.92Å; T74-D77 PolarHBondContact OG1-N 2.99Å; T74-D77 PolarHBondContact OG1-OD1 3.25Å; D77-T79 PolarHBondContact O-N 2.81Å; D77-E80 PolarHBondContact O-N 3.29Å; D77-F81 PolarHBondContact O-N 3.26Å; D77-R239 VanDerWaalsContact CB-NH1 3.26Å; D77-R239 IonicContact OD2-NH1 3.36Å; D77-R239 PolarHBondContact OD2-NH1 2.95Å |
| 78 | R | 50.5 | Low | 56.2 | Low | 135 Ų | 135 | 58.7 Ų | 58.7 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -22 | 175.3 | -63.6 | -176.7 | -176.3 | -164.8 | -0.7 | 112.3 | T74 E75 S76 | T74-R78 PolarHBondContact O-N 3.45Å; E75-R78 PolarHBondContact O-N 2.84Å; S76-R78 VanDerWaalsContact C-N 3.27Å; S76-R78 PolarHBondContact O-N 3.38Å |
| 79 | T | 50.1 | Low | 54 | Low | 113 Ų | 113 | 59.7 Ų | 59.7 | 69% | 0.693 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -97.7 | -18.3 | 175.5 | 64.2 | 0 | 0 | 0 | 0 | 113 | S76 D77 | S76-T79 PolarHBondContact O-N 2.84Å; S76-T79 PolarHBondContact O-OG1 3.32Å; D77-T79 PolarHBondContact O-N 2.81Å |
| 80 | E | 58.4 | Low | 52.8 | Low | 74 Ų | 74 | 60.9 Ų | 60.9 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.1 | -37.3 | 179.7 | -170 | -177.4 | 167.5 | 0 | 0 | 111.9 | S76 D77 R173 | S76-E80 PolarHBondContact O-N 2.87Å; D77-E80 PolarHBondContact O-N 3.29Å; E80-R173 IonicContact OE1-CZ 2.68Å; E80-R173 IonicContact OE1-NE 3.66Å; E80-R173 PolarHBondContact OE1-NE 3.32Å; E80-R173 IonicContact OE1-NH2 2.86Å; E80-R173 PolarHBondContact OE1-NH2 3.33Å; E80-R173 VanDerWaalsContact OE1-NH2 3.11Å; E80-R173 IonicContact OE2-NH2 2.97Å; E80-R173 PolarHBondContact OE2-NH2 2.83Å |
| 81 | F | 65.6 | Low | 51.8 | Low | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.013 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -121.6 | 137.2 | -179.7 | -60.8 | -81.2 | 0 | 0 | 0 | 111.2 | D77 Y170 P172 R173 L176 Y237 R239 W241 | D77-F81 PolarHBondContact O-N 3.26Å; F81-Y170 HydrophobicContact CE2-CD1 4.37Å; F81-Y170 AromaticContact CE2-CE1 3.91Å; F81-Y170 HydrophobicContact CE2-CE1 3.91Å; F81-Y170 HydrophobicContact CZ-CE1 4.49Å; F81-P172 HydrophobicContact CD1-CB 3.77Å; F81-P172 HydrophobicContact CD2-CB 3.91Å; F81-P172 HydrophobicContact CE1-CB 3.61Å; F81-P172 WeakPolarHBondContact CE1-O 3.12Å; F81-P172 HydrophobicContact CE2-CB 3.75Å; F81-P172 HydrophobicContact CG-CB 3.94Å; F81-P172 HydrophobicContact CZ-CB 3.62Å; F81-R173 HydrophobicContact CE1-CG 4.34Å; F81-R173 HydrophobicContact CZ-CG 3.6Å; F81-L176 HydrophobicContact CE1-CB 4.36Å; F81-Y237 AromaticContact CD1-CD2 3.83Å; F81-Y237 HydrophobicContact CD1-CD2 3.83Å; F81-Y237 AromaticContact CD1-CE2 3.83Å; F81-Y237 HydrophobicContact CD1-CE2 3.83Å; F81-Y237 HydrophobicContact CE1-CD2 4.24Å; F81-Y237 HydrophobicContact CE1-CE2 4.22Å; F81-R239 HydrophobicContact CB-CB 3.76Å; F81-R239 HydrophobicContact CG-CB 4.4Å; F81-W241 WeakPolarHBondContact O-CH2 3.3Å; F81-W241 WeakPolarHBondContact O-CZ3 3.5Å |
| 82 | P | 67.9 | Low | 51.5 | Low | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | trans | -73 | 158.7 | 173.9 | 31 | -37.5 | 0 | 0 | 0 | 112.7 | Y87 Y237 Y238 R239 W241 L317 | P82-Y87 HydrophobicContact CG-CE1 4.42Å; P82-Y87 HydrophobicContact CG-CE2 4.44Å; P82-Y87 WeakPolarHBondContact CG-OH 3.15Å; P82-Y237 VanDerWaalsContact CG-O 3.27Å; P82-Y237 WeakPolarHBondContact CG-O 3.34Å; P82-Y238 VanDerWaalsContact O-CA 3.25Å; P82-Y238 WeakPolarHBondContact O-CA 3.33Å; P82-Y238 WeakPolarHBondContact O-CB 3.41Å; P82-R239 PolarHBondContact O-N 2.8Å; P82-W241 VanDerWaalsContact C-CZ3 3.41Å; P82-L317 HydrophobicContact CB-CB 4.39Å; P82-L317 HydrophobicContact CB-CD2 3.67Å; P82-L317 HydrophobicContact CG-CD2 4.27Å | ||
| 83 | H | 72.3 | Confident | 51.5 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.023 | 35% | 0.348 | C | S | . | . | trans | -84.6 | 150.6 | 173.9 | -159.2 | -108.7 | 0 | 0 | 0 | 110.5 | D85 E86 W241 | H83-D85 VanDerWaalsContact C-N 3.27Å; H83-D85 IonicContact CE1-OD2 2.99Å; H83-D85 PolarHBondContact CE1-OD2 3.44Å; H83-D85 WeakPolarHBondContact ND1-CB 3.15Å; H83-D85 PolarHBondContact ND1-N 3.11Å; H83-D85 IonicContact ND1-OD2 3.63Å; H83-D85 PolarHBondContact ND1-OD2 2.85Å; H83-D85 VanDerWaalsContact ND1-OD2 3.12Å; H83-D85 PolarHBondContact O-N 3.1Å; H83-E86 HydrophobicContact CB-CG 3.99Å; H83-E86 WeakPolarHBondContact CB-OE1 3.14Å; H83-E86 PolarHBondContact N-OE1 3.29Å; H83-E86 WeakPolarHBondContact O-CA 3.32Å; H83-E86 WeakPolarHBondContact O-CB 3.14Å; H83-E86 PolarHBondContact O-N 3.04Å; H83-W241 VanDerWaalsContact CA-CH2 3.49Å; H83-W241 HydrophobicContact CB-CE3 4.47Å; H83-W241 HydrophobicContact CB-CH2 3.5Å; H83-W241 VanDerWaalsContact CB-CH2 3.5Å; H83-W241 HydrophobicContact CB-CZ2 3.46Å; H83-W241 VanDerWaalsContact CB-CZ2 3.46Å; H83-W241 HydrophobicContact CB-CZ3 3.98Å; H83-W241 AromaticContact CD2-CD2 3.59Å; H83-W241 AromaticContact CD2-CE2 3.69Å; H83-W241 AromaticContact CD2-CE3 3.81Å | ||
| 84 | P | 64.4 | Low | 52.4 | Low | 7 Ų | 7 | 65.8 Ų | 65.8 | 5% | 0.045 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -56 | -38.4 | 172.8 | -3.9 | -2.5 | 0 | 0 | 0 | 114.1 | E86 Y87 Y238 R239 F240 | P84-E86 PolarHBondContact O-N 3.49Å; P84-E86 VanDerWaalsContact O-N 3.14Å; P84-Y87 WeakPolarHBondContact O-CD2 3.22Å; P84-Y87 PolarHBondContact O-N 2.57Å; P84-Y238 HydrophobicContact CB-CD2 3.74Å; P84-Y238 HydrophobicContact CB-CE2 3.67Å; P84-Y238 HydrophobicContact CB-CG 4.36Å; P84-Y238 HydrophobicContact CG-CD2 3.48Å; P84-Y238 VanDerWaalsContact CG-CD2 3.48Å; P84-Y238 HydrophobicContact CG-CE2 3.7Å; P84-Y238 HydrophobicContact CG-CG 4.35Å; P84-R239 WeakPolarHBondContact CD-O 3.5Å; P84-F240 HydrophobicContact CB-CE1 4.29Å; P84-F240 HydrophobicContact CG-CD1 3.51Å; P84-F240 HydrophobicContact CG-CE1 3.27Å; P84-F240 HydrophobicContact CG-CE2 4.35Å; P84-F240 HydrophobicContact CG-CG 4.16Å; P84-F240 HydrophobicContact CG-CZ 3.75Å |
| 85 | D | 64.5 | Low | 53.8 | Low | 79 Ų | 79 | 71.7 Ų | 71.7 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -65.6 | -15 | 177.3 | -63.7 | -42.6 | 0 | 0 | 0 | 112.4 | H83 Y87 S246 | H83-D85 VanDerWaalsContact C-N 3.27Å; H83-D85 IonicContact CE1-OD2 2.99Å; H83-D85 PolarHBondContact CE1-OD2 3.44Å; H83-D85 WeakPolarHBondContact ND1-CB 3.15Å; H83-D85 PolarHBondContact ND1-N 3.11Å; H83-D85 IonicContact ND1-OD2 3.63Å; H83-D85 PolarHBondContact ND1-OD2 2.85Å; H83-D85 VanDerWaalsContact ND1-OD2 3.12Å; H83-D85 PolarHBondContact O-N 3.1Å; D85-Y87 VanDerWaalsContact C-N 3.28Å; D85-Y87 PolarHBondContact O-N 3.38Å; D85-S246 PolarHBondContact OD2-OG 3.14Å |
| 86 | E | 55.3 | Low | 55.7 | Low | 37 Ų | 37 | 66.5 Ų | 66.5 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -71.8 | -19.5 | 171.5 | -68.9 | 178 | -116.4 | 0 | 0 | 112.7 | H83 P84 G88 W241 L317 K321 | H83-E86 HydrophobicContact CB-CG 3.99Å; H83-E86 WeakPolarHBondContact CB-OE1 3.14Å; H83-E86 PolarHBondContact N-OE1 3.29Å; H83-E86 WeakPolarHBondContact O-CA 3.32Å; H83-E86 WeakPolarHBondContact O-CB 3.14Å; H83-E86 PolarHBondContact O-N 3.04Å; P84-E86 PolarHBondContact O-N 3.49Å; P84-E86 VanDerWaalsContact O-N 3.14Å; E86-G88 PolarHBondContact O-N 2.75Å; E86-G88 VanDerWaalsContact O-N 3.13Å; E86-W241 WeakPolarHBondContact OE1-CH2 3.35Å; E86-L317 HydrophobicContact CB-CD2 4.05Å; E86-K321 VanDerWaalsContact C-NZ 3.28Å; E86-K321 HydrophobicContact CB-CD 4.31Å; E86-K321 HydrophobicContact CG-CD 4.47Å; E86-K321 WeakPolarHBondContact O-CE 3.46Å; E86-K321 PolarHBondContact O-NZ 2.81Å |
| 87 | Y | 51.6 | Low | 57.8 | Low | 6 Ų | 6 | 65.3 Ų | 65.3 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -83.7 | 16.8 | 179.4 | -57.2 | -64.8 | 0 | 0 | 0 | 115.6 | P82 P84 D85 T236 Y237 Y238 L317 I538 N539 | P82-Y87 HydrophobicContact CG-CE1 4.42Å; P82-Y87 HydrophobicContact CG-CE2 4.44Å; P82-Y87 WeakPolarHBondContact CG-OH 3.15Å; P84-Y87 WeakPolarHBondContact O-CD2 3.22Å; P84-Y87 PolarHBondContact O-N 2.57Å; D85-Y87 VanDerWaalsContact C-N 3.28Å; D85-Y87 PolarHBondContact O-N 3.38Å; Y87-T236 HydrophobicContact CD2-CG2 4.44Å; Y87-T236 HydrophobicContact CE1-CG2 4.4Å; Y87-T236 WeakPolarHBondContact CE1-OG1 3.27Å; Y87-T236 HydrophobicContact CE2-CG2 4.3Å; Y87-T236 PolarHBondContact OH-OG1 2.77Å; Y87-Y237 PolarHBondContact OH-O 3.3Å; Y87-Y238 AromaticContact CD2-CD1 3.91Å; Y87-Y238 HydrophobicContact CD2-CD1 3.91Å; Y87-Y238 HydrophobicContact CD2-CE1 4.28Å; Y87-Y238 HydrophobicContact CD2-CG 4.46Å; Y87-Y238 AromaticContact CE2-CD1 3.21Å; Y87-Y238 HydrophobicContact CE2-CD1 3.21Å; Y87-Y238 HydrophobicContact CE2-CE1 4Å; Y87-Y238 AromaticContact CE2-CG 3.65Å; Y87-Y238 HydrophobicContact CE2-CG 3.65Å; Y87-Y238 AromaticContact CZ-CD1 3.95Å; Y87-L317 HydrophobicContact CD1-CD2 3.73Å; Y87-L317 HydrophobicContact CE1-CD2 3.26Å; Y87-I538 HydrophobicContact CD1-CB 3.58Å; Y87-I538 HydrophobicContact CD1-CD1 3.17Å; Y87-I538 HydrophobicContact CD1-CG1 3.72Å; Y87-I538 HydrophobicContact CD1-CG2 3.68Å; Y87-I538 HydrophobicContact CE1-CB 4.35Å; Y87-I538 HydrophobicContact CE1-CD1 3.08Å; Y87-I538 HydrophobicContact CE1-CG1 4.13Å; Y87-I538 HydrophobicContact CE1-CG2 4.24Å; Y87-I538 HydrophobicContact CG-CB 4.29Å; Y87-I538 HydrophobicContact CG-CD1 4.48Å; Y87-I538 HydrophobicContact CG-CG2 4.2Å; Y87-N539 CarbonylContact C-O 3.46Å; Y87-N539 WeakPolarHBondContact O-CB 3.48Å |
| 88 | G | 49.3 | Very low | 59.7 | Low | 23 Ų | 23 | 73.7 Ų | 73.7 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | trans | 84.8 | 140.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E86 E90 | E86-G88 PolarHBondContact O-N 2.75Å; E86-G88 VanDerWaalsContact O-N 3.13Å; G88-E90 PolarHBondContact O-N 3.46Å | ||
| 89 | S | 37.4 | Very low | 61.6 | Low | 52 Ų | 52 | 75.5 Ų | 75.5 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | trans | -74.7 | 105.4 | -178.9 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | S91 | S89-S91 PolarHBondContact O-N 3.17Å; S89-S91 VanDerWaalsContact O-N 3.13Å | ||
| 90 | E | 42.7 | Very low | 63.6 | Low | 95 Ų | 95 | 73.3 Ų | 73.3 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -57.6 | 114.3 | 138.8 | -82.8 | 171.2 | -147.8 | 0 | 0 | 105.8 | G88 I94 K249 L253 Y254 | G88-E90 PolarHBondContact O-N 3.46Å; E90-I94 HydrophobicContact CB-CD1 4.42Å; E90-K249 PolarHBondContact O-NZ 3.48Å; E90-L253 HydrophobicContact CB-CD1 4.37Å; E90-Y254 PolarHBondContact OE1-OH 2.73Å; E90-Y254 PolarHBondContact OE2-OH 3.15Å |
| 91 | S | 37.6 | Very low | 65.1 | Low | 67 Ų | 67 | 71.8 Ų | 71.8 | 47% | 0.469 | 37% | 0.366 | S | S | . | . | trans | 21.2 | 114.4 | 179 | -173 | 0 | 0 | 0 | 0 | 116.3 | S89 R93 I94 | S89-S91 PolarHBondContact O-N 3.17Å; S89-S91 VanDerWaalsContact O-N 3.13Å; S91-R93 PolarHBondContact O-N 2.85Å; S91-R93 PolarHBondContact OG-N 2.88Å; S91-I94 PolarHBondContact O-N 2.85Å | ||
| 92 | S | 43.5 | Very low | 66.5 | Low | 84 Ų | 84 | 72.3 Ų | 72.3 | 59% | 0.587 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 4.8 | 169.3 | 39.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 93 | R | 47.2 | Very low | 67.8 | Low | 227 Ų | 227 | 77.2 Ų | 77.2 | 86% | 0.857 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | 45.3 | 177.1 | -63 | -172.4 | -176.9 | -178.5 | 1.8 | 113.6 | S91 E95 | S91-R93 PolarHBondContact O-N 2.85Å; S91-R93 PolarHBondContact OG-N 2.88Å; R93-E95 PolarHBondContact O-N 2.66Å |
| 94 | I | 63.8 | Low | 68.9 | Low | 48 Ų | 48 | 85 Ų | 85 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | trans | -80.7 | 108.5 | 164.9 | -64.8 | 159 | 0 | 0 | 0 | 107.7 | E90 S91 L96 Y252 L253 | E90-I94 HydrophobicContact CB-CD1 4.42Å; S91-I94 PolarHBondContact O-N 2.85Å; I94-L96 HydrophobicContact CG2-CD2 3.98Å; I94-L96 PolarHBondContact O-N 3.3Å; I94-Y252 HydrophobicContact CG2-CD1 3.93Å; I94-Y252 HydrophobicContact CG2-CE1 3.8Å; I94-L253 HydrophobicContact CD1-CD1 3.92Å; I94-L253 HydrophobicContact CD1-CD2 3.89Å; I94-L253 HydrophobicContact CD1-CG 4.34Å | ||
| 95 | E | 76.8 | Confident | 70.3 | Confident | 182 Ų | 182 | 88.2 Ų | 88.2 | 85% | 0.85 | 44% | 0.437 | S | S | * | . | trans | -72.2 | 113.3 | 169.1 | -169.1 | 171.4 | -168.4 | 0 | 0 | 108.4 | R93 | R93-E95 PolarHBondContact O-N 2.66Š| ||
| 96 | L | 81.1 | Confident | 71.8 | Confident | 51 Ų | 51 | 86.4 Ų | 86.4 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | trans | -82.1 | 134.9 | -179.5 | -62.2 | 172.4 | 0 | 0 | 0 | 109.3 | I94 M248 K249 Y252 | I94-L96 HydrophobicContact CG2-CD2 3.98Å; I94-L96 PolarHBondContact O-N 3.3Å; L96-M248 HydrophobicContact CD1-CB 3.82Å; L96-K249 HydrophobicContact CD1-CB 4.22Å; L96-K249 HydrophobicContact CD2-CB 4.35Å; L96-Y252 HydrophobicContact CD2-CD1 4Å; L96-Y252 HydrophobicContact CD2-CG 3.88Å | ||
| 97 | P | 86.4 | Confident | 73.7 | Confident | 50 Ų | 50 | 88.8 Ų | 88.8 | 33% | 0.325 | 44% | 0.443 | S | S | . | . | trans | -66.2 | 151.2 | 175.6 | 30.2 | -35.8 | 0 | 0 | 0 | 110.6 | Q99 F100 Y252 | P97-Q99 WeakPolarHBondContact CB-O 3.38Å; P97-Q99 PolarHBondContact O-N 3.31Å; P97-F100 HydrophobicContact CG-CB 4.29Å; P97-F100 HydrophobicContact CG-CD2 4.35Å; P97-Y252 HydrophobicContact CG-CD2 4.18Å; P97-Y252 HydrophobicContact CG-CE2 4.01Å | ||
| 98 | E | 87.5 | Confident | 75.7 | Confident | 195 Ų | 195 | 93.3 Ų | 93.3 | 91% | 0.911 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -59.8 | -28.4 | 174.4 | -71.4 | -168.1 | 159.1 | 0 | 0 | 112.7 | ||
| 99 | Q | 89.5 | Confident | 78 | Confident | 173 Ų | 173 | 92.4 Ų | 92.4 | 81% | 0.808 | 46% | 0.461 | S | S | * | . | trans | -131.7 | 135.6 | 177.9 | -64.2 | -179 | 39.9 | 0 | 0 | 110.6 | P97 | P97-Q99 WeakPolarHBondContact CB-O 3.38Å; P97-Q99 PolarHBondContact O-N 3.31Å | ||
| 100 | F | 91.9 | Very high | 80.8 | Confident | 67 Ų | 67 | 95.3 Ų | 95.3 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | trans | -140.4 | 138.4 | 177.7 | -175.7 | -102.4 | 0 | 0 | 0 | 110.8 | P97 N105 W106 I251 Y252 | P97-F100 HydrophobicContact CG-CB 4.29Å; P97-F100 HydrophobicContact CG-CD2 4.35Å; F100-N105 HydrophobicContact CE2-CB 3.62Å; F100-N105 VanDerWaalsContact CE2-CG 3.44Å; F100-N105 HydrophobicContact CZ-CB 3.63Å; F100-W106 HydrophobicContact CE1-CH2 4.21Å; F100-W106 AromaticContact CE1-CZ3 3.85Å; F100-W106 HydrophobicContact CE1-CZ3 3.85Å; F100-W106 HydrophobicContact CZ-CE3 4.45Å; F100-W106 AromaticContact CZ-CH2 3.63Å; F100-W106 HydrophobicContact CZ-CH2 3.63Å; F100-W106 AromaticContact CZ-CZ3 3.5Å; F100-W106 HydrophobicContact CZ-CZ3 3.5Å; F100-I251 HydrophobicContact CD1-CG2 3.72Å; F100-I251 HydrophobicContact CE1-CG2 3.71Å; F100-I251 WeakPolarHBondContact CE1-O 3.22Å; F100-Y252 AromaticContact CD2-CD2 3.45Å; F100-Y252 HydrophobicContact CD2-CD2 3.45Å; F100-Y252 VanDerWaalsContact CD2-CD2 3.45Å; F100-Y252 AromaticContact CD2-CE2 3.94Å; F100-Y252 HydrophobicContact CD2-CE2 3.94Å; F100-Y252 AromaticContact CE2-CD2 3.38Å; F100-Y252 HydrophobicContact CE2-CD2 3.38Å; F100-Y252 AromaticContact CE2-CE2 3.82Å; F100-Y252 HydrophobicContact CE2-CE2 3.82Å; F100-Y252 HydrophobicContact CE2-CG 4.32Å; F100-Y252 HydrophobicContact CG-CD2 4.2Å; F100-Y252 HydrophobicContact CZ-CD2 4.1Å | ||
| 101 | D | 91.7 | Very high | 83.3 | Confident | 43 Ų | 43 | 97.1 Ų | 97.1 | 23% | 0.23 | 48% | 0.48 | C | S | . | . | trans | -136.4 | 111.5 | 175.4 | -175.2 | -23.4 | 0 | 0 | 0 | 108.8 | R103 K104 N105 | D101-R103 PolarHBondContact O-N 2.84Å; D101-R103 VanDerWaalsContact O-N 3.12Å; D101-R103 WeakPolarHBondContact OD1-CB 3.36Å; D101-R103 IonicContact OD1-CZ 3.23Å; D101-R103 PolarHBondContact OD1-N 2.81Å; D101-R103 IonicContact OD1-NE 3.12Å; D101-R103 PolarHBondContact OD1-NE 3.45Å; D101-R103 IonicContact OD1-NH2 3.43Å; D101-R103 PolarHBondContact OD1-NH2 2.87Å; D101-R103 IonicContact OD2-CZ 3.94Å; D101-R103 IonicContact OD2-NE 3.02Å; D101-R103 PolarHBondContact OD2-NE 3.28Å; D101-R103 IonicContact OD2-NH2 2.63Å; D101-R103 PolarHBondContact OD2-NH2 2.87Å; D101-K104 HydrophobicContact CB-CB 4.27Å; D101-K104 HydrophobicContact CB-CD 4.08Å; D101-K104 HydrophobicContact CB-CG 4.06Å; D101-K104 PolarHBondContact O-N 3.3Å; D101-N105 PolarHBondContact O-N 3.16Å | ||
| 102 | S | 95 | Very high | 86.1 | Confident | 14 Ų | 14 | 94.6 Ų | 94.6 | 10% | 0.098 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -55 | -32.5 | -178.6 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | K104 N105 W106 | S102-K104 VanDerWaalsContact C-N 3.31Å; S102-K104 PolarHBondContact O-N 2.94Å; S102-N105 PolarHBondContact O-N 3.12Å; S102-W106 VanDerWaalsContact O-CE3 3.31Å; S102-W106 PolarHBondContact O-N 3.36Å |
| 103 | R | 94.7 | Very high | 88.7 | Confident | 117 Ų | 117 | 91.7 Ų | 91.7 | 44% | 0.442 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.7 | -30.3 | 179.7 | -59.8 | 163.8 | -65.3 | -168.2 | 2 | 112.4 | D101 K110 I113 S114 | D101-R103 PolarHBondContact O-N 2.84Å; D101-R103 VanDerWaalsContact O-N 3.12Å; D101-R103 WeakPolarHBondContact OD1-CB 3.36Å; D101-R103 IonicContact OD1-CZ 3.23Å; D101-R103 PolarHBondContact OD1-N 2.81Å; D101-R103 IonicContact OD1-NE 3.12Å; D101-R103 PolarHBondContact OD1-NE 3.45Å; D101-R103 IonicContact OD1-NH2 3.43Å; D101-R103 PolarHBondContact OD1-NH2 2.87Å; D101-R103 IonicContact OD2-CZ 3.94Å; D101-R103 IonicContact OD2-NE 3.02Å; D101-R103 PolarHBondContact OD2-NE 3.28Å; D101-R103 IonicContact OD2-NH2 2.63Å; D101-R103 PolarHBondContact OD2-NH2 2.87Å; R103-K110 HydrophobicContact CB-CG 4.37Å; R103-I113 HydrophobicContact CG-CB 4.08Å; R103-I113 HydrophobicContact CG-CG2 3.51Å; R103-S114 WeakPolarHBondContact CD-OG 3.12Å |
| 104 | K | 94.6 | Very high | 91 | Very high | 169 Ų | 169 | 83.1 Ų | 83.1 | 74% | 0.735 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -81.3 | -34.7 | 175.1 | -63.1 | -176.9 | -175.4 | 175.5 | 0 | 111.2 | D101 S102 | D101-K104 HydrophobicContact CB-CB 4.27Å; D101-K104 HydrophobicContact CB-CD 4.08Å; D101-K104 HydrophobicContact CB-CG 4.06Å; D101-K104 PolarHBondContact O-N 3.3Å; S102-K104 VanDerWaalsContact C-N 3.31Å; S102-K104 PolarHBondContact O-N 2.94Å |
| 105 | N | 94.2 | Very high | 92.5 | Very high | 73 Ų | 73 | 84 Ų | 84 | 39% | 0.39 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -74.2 | -35.6 | -179.1 | -160.5 | 60.7 | 0 | 0 | 0 | 112.9 | F100 D101 S102 P107 | F100-N105 HydrophobicContact CE2-CB 3.62Å; F100-N105 VanDerWaalsContact CE2-CG 3.44Å; F100-N105 HydrophobicContact CZ-CB 3.63Å; D101-N105 PolarHBondContact O-N 3.16Å; S102-N105 PolarHBondContact O-N 3.12Å; N105-P107 VanDerWaalsContact C-CD 3.48Å; N105-P107 WeakPolarHBondContact O-CD 3.26Å |
| 106 | W | 95.3 | Very high | 93.2 | Very high | 41 Ų | 41 | 82.5 Ų | 82.5 | 16% | 0.155 | 41% | 0.412 | C | S | . | . | trans | -120.8 | 72.9 | 176.4 | -61.4 | -77.8 | 0 | 0 | 0 | 111.1 | F100 S102 V108 C109 K110 I113 I140 I251 Y252 | F100-W106 HydrophobicContact CE1-CH2 4.21Å; F100-W106 AromaticContact CE1-CZ3 3.85Å; F100-W106 HydrophobicContact CE1-CZ3 3.85Å; F100-W106 HydrophobicContact CZ-CE3 4.45Å; F100-W106 AromaticContact CZ-CH2 3.63Å; F100-W106 HydrophobicContact CZ-CH2 3.63Å; F100-W106 AromaticContact CZ-CZ3 3.5Å; F100-W106 HydrophobicContact CZ-CZ3 3.5Å; S102-W106 VanDerWaalsContact O-CE3 3.31Å; S102-W106 PolarHBondContact O-N 3.36Å; W106-V108 PolarHBondContact O-N 3.19Å; W106-C109 HydrophobicContact CB-CB 4.18Å; W106-C109 CarbonylContact O-C 3.56Å; W106-C109 PolarHBondContact O-N 2.81Å; W106-K110 PolarHBondContact O-N 3.37Å; W106-I113 HydrophobicContact CB-CD1 4.2Å; W106-I140 HydrophobicContact CB-CG1 4.17Å; W106-I140 HydrophobicContact CD2-CD1 3.88Å; W106-I140 HydrophobicContact CD2-CG1 3.87Å; W106-I140 HydrophobicContact CD2-CG2 4.07Å; W106-I140 HydrophobicContact CE3-CD1 3.71Å; W106-I140 HydrophobicContact CE3-CG1 4.2Å; W106-I140 HydrophobicContact CG-CD1 4.34Å; W106-I140 HydrophobicContact CG-CG1 3.83Å; W106-I140 HydrophobicContact CG-CG2 4.26Å; W106-I140 HydrophobicContact CZ2-CG2 4.04Å; W106-I140 HydrophobicContact CZ3-CD1 4.1Å; W106-I251 WeakPolarHBondContact CH2-O 3.26Å; W106-Y252 VanDerWaalsContact CH2-O 3.24Å; W106-Y252 WeakPolarHBondContact CH2-O 3.27Å | ||
| 107 | P | 95 | Very high | 93.7 | Very high | 87 Ų | 87 | 81.2 Ų | 81.2 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -61.8 | -29.5 | -174.8 | 24.2 | -34 | 0 | 0 | 0 | 113.3 | N105 C109 K110 | N105-P107 VanDerWaalsContact C-CD 3.48Å; N105-P107 WeakPolarHBondContact O-CD 3.26Å; P107-C109 PolarHBondContact O-N 2.87Å; P107-K110 WeakPolarHBondContact O-CB 3.34Å; P107-K110 PolarHBondContact O-N 2.9Å |
| 108 | V | 95.3 | Very high | 93.9 | Very high | 102 Ų | 102 | 81.8 Ų | 81.8 | 62% | 0.618 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -65.4 | -28.3 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | W106 | W106-V108 PolarHBondContact O-N 3.19Š|
| 109 | C | 96.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.02 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -99 | 8.4 | 178.1 | -66 | 0 | 0 | 0 | 0 | 113.3 | W106 P107 D111 I112 I113 C139 I140 | W106-C109 HydrophobicContact CB-CB 4.18Å; W106-C109 CarbonylContact O-C 3.56Å; W106-C109 PolarHBondContact O-N 2.81Å; P107-C109 PolarHBondContact O-N 2.87Å; C109-D111 VanDerWaalsContact C-N 3.26Å; C109-D111 PolarHBondContact O-N 2.62Å; C109-I112 PolarHBondContact O-N 3.28Å; C109-I112 VanDerWaalsContact O-N 3.14Å; C109-I113 HydrophobicContact CB-CD1 3.79Å; C109-I113 HydrophobicContact CB-CG1 4.22Å; C109-I113 VanDerWaalsContact O-CG1 3.3Å; C109-I113 WeakPolarHBondContact O-CG1 2.97Å; C109-I113 PolarHBondContact O-N 3.45Å; C109-C139 WeakPolarHBondContact CA-SG 3.48Å; C109-C139 HydrophobicContact CB-CB 3.85Å; C109-C139 WeakPolarHBondContact CB-SG 3.41Å; C109-C139 WeakPolarHBondContact SG-CB 3.44Å; C109-C139 PolarHBondContact SG-O 2.9Å; C109-C139 VanDerWaalsContact SG-O 3.36Å; C109-C139 CovalentContact SG-SG 2.04Å; C109-C139 PolarHBondContact SG-SG 3.01Å; C109-I140 HydrophobicContact CB-CG1 4.39Å; C109-I140 PolarHBondContact SG-N 3.37Å |
| 110 | K | 96.4 | Very high | 94.2 | Very high | 113 Ų | 113 | 66.3 Ų | 66.3 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.7 | -41.7 | -175 | 177.9 | -177.3 | 174.8 | -168.4 | 0 | 112.5 | R103 W106 P107 S114 | R103-K110 HydrophobicContact CB-CG 4.37Å; W106-K110 PolarHBondContact O-N 3.37Å; P107-K110 WeakPolarHBondContact O-CB 3.34Å; P107-K110 PolarHBondContact O-N 2.9Å; K110-S114 WeakPolarHBondContact O-CB 3.27Å; K110-S114 PolarHBondContact O-N 2.9Å; K110-S114 PolarHBondContact O-OG 3.32Å |
| 111 | D | 95.5 | Very high | 94.1 | Very high | 133 Ų | 133 | 63.3 Ų | 63.3 | 71% | 0.711 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72 | -31.6 | -176.6 | -65.5 | -22.9 | 0 | 0 | 0 | 112.4 | C109 H115 | C109-D111 VanDerWaalsContact C-N 3.26Å; C109-D111 PolarHBondContact O-N 2.62Å; D111-H115 PolarHBondContact O-N 3.3Å |
| 112 | I | 97.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.8 | -52.5 | 173 | -55.7 | -61.2 | 0 | 0 | 0 | 109.8 | C109 S114 H115 C139 A147 F149 | C109-I112 PolarHBondContact O-N 3.28Å; C109-I112 VanDerWaalsContact O-N 3.14Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.28Å; I112-H115 WeakPolarHBondContact O-CB 3.01Å; I112-H115 PolarHBondContact O-N 3.09Å; I112-H115 VanDerWaalsContact O-N 3.13Å; I112-C139 HydrophobicContact CB-CB 4.49Å; I112-C139 HydrophobicContact CG1-CB 4.34Å; I112-C139 HydrophobicContact CG2-CB 4.49Å; I112-A147 HydrophobicContact CD1-CB 4.29Å; I112-A147 HydrophobicContact CG1-CB 4.03Å; I112-F149 HydrophobicContact CD1-CD1 4.39Å; I112-F149 HydrophobicContact CD1-CE1 3.89Å; I112-F149 HydrophobicContact CD1-CE2 4.17Å; I112-F149 HydrophobicContact CD1-CZ 3.78Å; I112-F149 HydrophobicContact CG2-CD1 4.47Å; I112-F149 HydrophobicContact CG2-CE1 4.15Å |
| 113 | I | 96.8 | Very high | 94 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -32.1 | -177.6 | -61.3 | 165.6 | 0 | 0 | 0 | 112 | R103 W106 C109 D136 I140 P256 | R103-I113 HydrophobicContact CG-CB 4.08Å; R103-I113 HydrophobicContact CG-CG2 3.51Å; W106-I113 HydrophobicContact CB-CD1 4.2Å; C109-I113 HydrophobicContact CB-CD1 3.79Å; C109-I113 HydrophobicContact CB-CG1 4.22Å; C109-I113 VanDerWaalsContact O-CG1 3.3Å; C109-I113 WeakPolarHBondContact O-CG1 2.97Å; C109-I113 PolarHBondContact O-N 3.45Å; I113-D136 WeakPolarHBondContact CA-OD1 3.31Å; I113-D136 HydrophobicContact CG1-CB 4.18Å; I113-I140 HydrophobicContact CD1-CD1 4.05Å; I113-I140 HydrophobicContact CD1-CG1 4.29Å; I113-P256 HydrophobicContact CG2-CG 4.15Å |
| 114 | S | 95.6 | Very high | 94 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.9 | -178.9 | -52.5 | 0 | 0 | 0 | 0 | 113.5 | R103 K110 I112 I116 | R103-S114 WeakPolarHBondContact CD-OG 3.12Å; K110-S114 WeakPolarHBondContact O-CB 3.27Å; K110-S114 PolarHBondContact O-N 2.9Å; K110-S114 PolarHBondContact O-OG 3.32Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.28Å; S114-I116 PolarHBondContact O-N 3.21Å |
| 115 | H | 95.2 | Very high | 94 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 32% | 0.315 | 26% | 0.257 | S | S | . | . | trans | -75.8 | 124.6 | -177.1 | -173.6 | 76.1 | 0 | 0 | 0 | 111.2 | D111 I112 F149 | D111-H115 PolarHBondContact O-N 3.3Å; I112-H115 WeakPolarHBondContact O-CB 3.01Å; I112-H115 PolarHBondContact O-N 3.09Å; I112-H115 VanDerWaalsContact O-N 3.13Å; H115-F149 HydrophobicContact CB-CE1 3.57Å; H115-F149 HydrophobicContact CB-CZ 3.67Å; H115-F149 AromaticContact CD2-CE1 3.58Å; H115-F149 AromaticContact CD2-CZ 3.77Å; H115-F149 AromaticContact CG-CE1 3.61Å; H115-F149 AromaticContact CG-CZ 3.52Å; H115-F149 AromaticContact ND1-CZ 3.97Å | ||
| 116 | I | 92.5 | Very high | 94 | Very high | 149 Ų | 149 | 45 Ų | 45 | 76% | 0.764 | 24% | 0.239 | S | C | * | . | trans | -102.4 | 111.6 | 178.9 | -53.2 | -56.3 | 0 | 0 | 0 | 108.9 | S114 | S114-I116 PolarHBondContact O-N 3.21Š| ||
| 117 | K | 91.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 43 Ų | 43 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | trans | -77.6 | 144.6 | 175.8 | -65.2 | -170.8 | 177.1 | -169.3 | 0 | 111.3 | V128 S132 L150 E152 | K117-V128 HydrophobicContact CB-CG1 3.55Å; K117-V128 HydrophobicContact CD-CG1 4.32Å; K117-S132 WeakPolarHBondContact CD-OG 3.09Å; K117-L150 PolarHBondContact NZ-O 2.78Å; K117-E152 IonicContact NZ-OE1 3.52Å; K117-E152 IonicContact NZ-OE2 2.76Å; K117-E152 PolarHBondContact NZ-OE2 3.38Å | ||
| 118 | D | 90.1 | Very high | 94.1 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | trans | -100.5 | 117.4 | 176.5 | -176.8 | 2.5 | 0 | 0 | 0 | 110.4 | S120 Y198 P202 | D118-S120 PolarHBondContact O-N 3.35Å; D118-S120 WeakPolarHBondContact OD1-CA 3.37Å; D118-S120 PolarHBondContact OD1-N 3.06Å; D118-Y198 WeakPolarHBondContact O-CE1 3.43Å; D118-P202 WeakPolarHBondContact OD2-CB 3.39Å | ||
| 119 | Q | 92.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 37 Ų | 37 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | trans | -73.9 | -7.6 | 176.3 | 67.9 | 179.2 | 88.4 | 0 | 0 | 113.6 | L65 C122 V128 Y198 | L65-Q119 PolarHBondContact O-NE2 3.41Å; Q119-C122 PolarHBondContact NE2-O 2.69Å; Q119-V128 HydrophobicContact CB-CG2 3.93Å; Q119-Y198 PolarHBondContact O-OH 3.15Å | ||
| 120 | S | 91.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -142.2 | -174.7 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | Y53 L65 D118 C122 A201 C203 | Y53-S120 PolarHBondContact OH-O 3.42Å; Y53-S120 VanDerWaalsContact OH-O 3.11Å; L65-S120 WeakPolarHBondContact CD2-O 3.44Å; D118-S120 PolarHBondContact O-N 3.35Å; D118-S120 WeakPolarHBondContact OD1-CA 3.37Å; D118-S120 PolarHBondContact OD1-N 3.06Å; S120-C122 VanDerWaalsContact C-N 3.33Å; S120-C122 PolarHBondContact O-N 3.12Å; S120-A201 WeakPolarHBondContact CB-O 3.38Å; S120-A201 PolarHBondContact OG-O 3.13Å; S120-C203 PolarHBondContact OG-SG 2.89Å |
| 121 | N | 89.7 | Confident | 94.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 40.7 | -178.6 | -142.2 | 50.9 | 0 | 0 | 0 | 113.5 | K57 C206 G208 S210 | K57-N121 PolarHBondContact NZ-OD1 2.81Å; N121-C206 HydrophobicContact CB-CB 3.64Å; N121-C206 VanDerWaalsContact CB-SG 3.58Å; N121-C206 VanDerWaalsContact CG-CB 3.42Å; N121-C206 WeakPolarHBondContact ND2-CB 3.21Å; N121-G208 PolarHBondContact ND2-O 2.83Å; N121-S210 PolarHBondContact O-N 2.62Å |
| 122 | C | 92.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -123.6 | 139.3 | 179.7 | 173.4 | 0 | 0 | 0 | 0 | 108.9 | Q119 S120 S124 C166 I200 | Q119-C122 PolarHBondContact NE2-O 2.69Å; S120-C122 VanDerWaalsContact C-N 3.33Å; S120-C122 PolarHBondContact O-N 3.12Å; C122-S124 PolarHBondContact O-N 3.27Å; C122-S124 WeakPolarHBondContact SG-CB 3.17Å; C122-C166 HydrophobicContact CB-CB 4Å; C122-C166 WeakPolarHBondContact CB-SG 3.38Å; C122-C166 WeakPolarHBondContact SG-CA 3.29Å; C122-C166 WeakPolarHBondContact SG-CB 3.25Å; C122-C166 CovalentContact SG-SG 2.03Å; C122-C166 PolarHBondContact SG-SG 3.3Å; C122-I200 HydrophobicContact CB-CD1 3.51Å |
| 123 | G | 92.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -72.9 | 50.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | N64 G67 W126 C166 | N64-G123 WeakPolarHBondContact O-CA 3.34Å; N64-G123 PolarHBondContact O-N 2.92Å; G67-G123 WeakPolarHBondContact CA-O 3.29Å; G123-W126 VanDerWaalsContact O-CD1 3.29Å; G123-W126 PolarHBondContact O-NE1 3.32Å; G123-C166 WeakPolarHBondContact CA-O 3.24Å; G123-C166 PolarHBondContact N-O 3.09Å |
| 124 | S | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -101.1 | 11.8 | -175.4 | 54 | 0 | 0 | 0 | 0 | 113.8 | C122 W126 A127 V128 Y198 | C122-S124 PolarHBondContact O-N 3.27Å; C122-S124 WeakPolarHBondContact SG-CB 3.17Å; S124-W126 PolarHBondContact O-N 3.31Å; S124-W126 VanDerWaalsContact O-N 3.08Å; S124-A127 WeakPolarHBondContact O-CA 3.27Å; S124-A127 WeakPolarHBondContact O-CB 3.28Å; S124-A127 PolarHBondContact O-N 2.59Å; S124-V128 WeakPolarHBondContact O-CG2 3.47Å; S124-V128 PolarHBondContact O-N 2.98Å; S124-Y198 PolarHBondContact OG-OH 2.65Å | ||
| 125 | C | 94.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 17% | 0.169 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -51.2 | -38.3 | -179.1 | 63.1 | 0 | 0 | 0 | 0 | 112.8 | G67 A127 V128 S129 | G67-C125 PolarHBondContact N-SG 3.38Å; G67-C125 VanDerWaalsContact N-SG 3.44Å; C125-A127 VanDerWaalsContact C-N 3.3Å; C125-A127 PolarHBondContact O-N 3.37Å; C125-V128 PolarHBondContact O-N 2.98Å; C125-S129 VanDerWaalsContact O-CB 3.29Å; C125-S129 WeakPolarHBondContact O-CB 3.35Å; C125-S129 PolarHBondContact O-N 3.4Å; C125-S129 PolarHBondContact O-OG 3.27Å; C125-S129 VanDerWaalsContact O-OG 3.09Å |
| 126 | W | 94.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.5 | -38.1 | 175.5 | 66.2 | -89.8 | 0 | 0 | 0 | 113.3 | G123 S124 A130 L155 I156 C162 G165 G168 G169 P171 A174 | G123-W126 VanDerWaalsContact O-CD1 3.29Å; G123-W126 PolarHBondContact O-NE1 3.32Å; S124-W126 PolarHBondContact O-N 3.31Å; S124-W126 VanDerWaalsContact O-N 3.08Å; W126-A130 WeakPolarHBondContact O-CB 3.42Å; W126-A130 PolarHBondContact O-N 2.95Å; W126-L155 HydrophobicContact CH2-CB 4.46Å; W126-L155 HydrophobicContact CZ3-CB 4.3Å; W126-I156 HydrophobicContact CZ2-CG1 4.44Å; W126-C162 HydrophobicContact CE3-CB 4.2Å; W126-C162 HydrophobicContact CH2-CB 3.55Å; W126-C162 HydrophobicContact CZ3-CB 3.28Å; W126-G165 PolarHBondContact NE1-O 3.31Å; W126-G168 VanDerWaalsContact NE1-C 3.28Å; W126-G169 VanDerWaalsContact CB-O 3.26Å; W126-G169 WeakPolarHBondContact CB-O 3.21Å; W126-P171 HydrophobicContact CB-CG 3.95Å; W126-A174 HydrophobicContact CZ3-CB 4.45Å |
| 127 | A | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -84.3 | -42.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S124 C125 A130 A131 L155 I156 | S124-A127 WeakPolarHBondContact O-CA 3.27Å; S124-A127 WeakPolarHBondContact O-CB 3.28Å; S124-A127 PolarHBondContact O-N 2.59Å; C125-A127 VanDerWaalsContact C-N 3.3Å; C125-A127 PolarHBondContact O-N 3.37Å; A127-A130 PolarHBondContact O-N 3.3Å; A127-A131 VanDerWaalsContact O-CB 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.39Å; A127-A131 PolarHBondContact O-N 3.06Å; A127-L155 HydrophobicContact CB-CB 3.97Å; A127-L155 HydrophobicContact CB-CD1 4.45Å; A127-I156 HydrophobicContact CB-CD1 4.09Å; A127-I156 HydrophobicContact CB-CG1 3.47Å; A127-I156 VanDerWaalsContact CB-CG1 3.47Å |
| 128 | V | 96.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 12.5 Ų | 12.5 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 179.9 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | K117 Q119 S124 C125 A130 A131 S132 E152 | K117-V128 HydrophobicContact CB-CG1 3.55Å; K117-V128 HydrophobicContact CD-CG1 4.32Å; Q119-V128 HydrophobicContact CB-CG2 3.93Å; S124-V128 WeakPolarHBondContact O-CG2 3.47Å; S124-V128 PolarHBondContact O-N 2.98Å; C125-V128 PolarHBondContact O-N 2.98Å; V128-A130 PolarHBondContact O-N 3.08Å; V128-A131 PolarHBondContact O-N 2.83Å; V128-S132 PolarHBondContact O-N 2.69Å; V128-S132 PolarHBondContact O-OG 3.05Å; V128-S132 VanDerWaalsContact O-OG 3.13Å; V128-E152 HydrophobicContact CG2-CB 4.21Å; V128-E152 HydrophobicContact CG2-CG 4.25Å |
| 129 | S | 96.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 9.5 Ų | 9.5 | 38% | 0.378 | 6% | 0.058 | S | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 176.7 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | C125 S132 V133 V258 | C125-S129 VanDerWaalsContact O-CB 3.29Å; C125-S129 WeakPolarHBondContact O-CB 3.35Å; C125-S129 PolarHBondContact O-N 3.4Å; C125-S129 PolarHBondContact O-OG 3.27Å; C125-S129 VanDerWaalsContact O-OG 3.09Å; S129-S132 PolarHBondContact O-N 3.43Å; S129-V133 WeakPolarHBondContact O-CG2 3.32Å; S129-V133 PolarHBondContact O-N 3.2Å; S129-V133 VanDerWaalsContact O-N 3.08Å; S129-V258 WeakPolarHBondContact O-CG2 3.1Å |
| 130 | A | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W126 A127 V128 S132 V133 M134 L155 A174 F175 V258 | W126-A130 WeakPolarHBondContact O-CB 3.42Å; W126-A130 PolarHBondContact O-N 2.95Å; A127-A130 PolarHBondContact O-N 3.3Å; V128-A130 PolarHBondContact O-N 3.08Å; A130-S132 VanDerWaalsContact C-N 3.33Å; A130-S132 PolarHBondContact O-N 3.16Å; A130-V133 PolarHBondContact O-N 2.57Å; A130-M134 HydrophobicContact CB-CE 4.04Å; A130-M134 WeakPolarHBondContact O-CG 3.46Å; A130-M134 PolarHBondContact O-N 2.95Å; A130-L155 HydrophobicContact CB-CD1 4.25Å; A130-A174 HydrophobicContact CB-CB 3.68Å; A130-F175 HydrophobicContact CB-CE2 4.5Å; A130-F175 HydrophobicContact CB-CZ 4.41Å; A130-V258 HydrophobicContact CB-CG2 4.42Å |
| 131 | A | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A127 V128 M134 S135 E152 L155 | A127-A131 VanDerWaalsContact O-CB 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.39Å; A127-A131 PolarHBondContact O-N 3.06Å; V128-A131 PolarHBondContact O-N 2.83Å; A131-M134 PolarHBondContact O-N 2.84Å; A131-S135 WeakPolarHBondContact O-CB 3.38Å; A131-S135 PolarHBondContact O-N 2.86Å; A131-S135 PolarHBondContact O-OG 3.39Å; A131-E152 HydrophobicContact CB-CB 3.93Å; A131-L155 HydrophobicContact CB-CD1 4.14Å |
| 132 | S | 97.4 | Very high | 94.9 | Very high | 26 Ų | 26 | 10.7 Ų | 10.7 | 18% | 0.182 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.4 | -51.3 | 173 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | K117 V128 S129 A130 M134 S135 D136 | K117-S132 WeakPolarHBondContact CD-OG 3.09Å; V128-S132 PolarHBondContact O-N 2.69Å; V128-S132 PolarHBondContact O-OG 3.05Å; V128-S132 VanDerWaalsContact O-OG 3.13Å; S129-S132 PolarHBondContact O-N 3.43Å; A130-S132 VanDerWaalsContact C-N 3.33Å; A130-S132 PolarHBondContact O-N 3.16Å; S132-M134 VanDerWaalsContact C-N 3.32Å; S132-M134 PolarHBondContact O-N 2.86Å; S132-S135 WeakPolarHBondContact O-CA 3.19Å; S132-S135 VanDerWaalsContact O-CB 3.3Å; S132-S135 WeakPolarHBondContact O-CB 2.74Å; S132-S135 PolarHBondContact O-N 2.81Å; S132-D136 VanDerWaalsContact O-CG 3.23Å; S132-D136 PolarHBondContact O-N 3.13Å |
| 133 | V | 98 | Very high | 94.8 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 178.4 | 167.3 | 0 | 0 | 0 | 0 | 112.2 | S129 A130 S135 D136 R137 F175 P256 V258 | S129-V133 WeakPolarHBondContact O-CG2 3.32Å; S129-V133 PolarHBondContact O-N 3.2Å; S129-V133 VanDerWaalsContact O-N 3.08Å; A130-V133 PolarHBondContact O-N 2.57Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.1Å; V133-D136 PolarHBondContact O-N 3.13Å; V133-R137 HydrophobicContact CG1-CG 4.3Å; V133-R137 WeakPolarHBondContact O-CB 3.2Å; V133-R137 VanDerWaalsContact O-CG 3.27Å; V133-R137 WeakPolarHBondContact O-CG 3.28Å; V133-R137 PolarHBondContact O-N 2.84Å; V133-F175 HydrophobicContact CB-CE1 4.41Å; V133-F175 HydrophobicContact CB-CZ 4.11Å; V133-F175 HydrophobicContact CG1-CE1 3.87Å; V133-F175 HydrophobicContact CG1-CZ 3.76Å; V133-P256 VanDerWaalsContact CG1-O 3.28Å; V133-P256 WeakPolarHBondContact CG1-O 3.28Å; V133-P256 HydrophobicContact CG2-CB 4.37Å; V133-V258 HydrophobicContact CB-CG2 4.11Å; V133-V258 HydrophobicContact CG2-CG2 3.72Å |
| 134 | M | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 174.7 | -62.2 | 167.9 | -174.2 | 0 | 0 | 111.5 | A130 A131 S132 T138 L150 L155 A174 F175 W178 V183 | A130-M134 HydrophobicContact CB-CE 4.04Å; A130-M134 WeakPolarHBondContact O-CG 3.46Å; A130-M134 PolarHBondContact O-N 2.95Å; A131-M134 PolarHBondContact O-N 2.84Å; S132-M134 VanDerWaalsContact C-N 3.32Å; S132-M134 PolarHBondContact O-N 2.86Å; M134-T138 VanDerWaalsContact O-CB 3.28Å; M134-T138 WeakPolarHBondContact O-CB 3.49Å; M134-T138 PolarHBondContact O-N 3.19Å; M134-T138 PolarHBondContact O-OG1 3.38Å; M134-L150 HydrophobicContact CB-CD1 3.57Å; M134-L155 HydrophobicContact CE-CD1 4.16Å; M134-L155 HydrophobicContact SD-CD1 4.3Å; M134-A174 VanDerWaalsContact CE-C 3.49Å; M134-A174 HydrophobicContact CE-CB 4.04Å; M134-A174 VanDerWaalsContact CE-O 3.23Å; M134-A174 WeakPolarHBondContact CE-O 3.36Å; M134-F175 HydrophobicContact CE-CD1 3.86Å; M134-F175 HydrophobicContact CE-CE1 4.11Å; M134-F175 HydrophobicContact CE-CG 4.37Å; M134-F175 HydrophobicContact CG-CD1 4.21Å; M134-F175 HydrophobicContact CG-CE1 3.9Å; M134-W178 HydrophobicContact CB-CD2 4.11Å; M134-W178 HydrophobicContact CB-CE3 4.18Å; M134-W178 HydrophobicContact CB-CH2 4Å; M134-W178 HydrophobicContact CB-CZ2 3.98Å; M134-W178 HydrophobicContact CB-CZ3 4.11Å; M134-W178 HydrophobicContact CE-CB 3.72Å; M134-W178 HydrophobicContact CE-CD2 4.48Å; M134-W178 HydrophobicContact CE-CE3 4.46Å; M134-W178 HydrophobicContact CE-CG 4.24Å; M134-W178 HydrophobicContact CG-CD2 3.65Å; M134-W178 HydrophobicContact CG-CE3 3.53Å; M134-W178 HydrophobicContact CG-CG 4.17Å; M134-W178 HydrophobicContact CG-CH2 4.21Å; M134-W178 HydrophobicContact CG-CZ2 4.38Å; M134-W178 HydrophobicContact CG-CZ3 3.81Å; M134-W178 HydrophobicContact SD-CB 3.92Å; M134-W178 HydrophobicContact SD-CD2 4Å; M134-W178 HydrophobicContact SD-CE3 4.33Å; M134-W178 HydrophobicContact SD-CG 3.86Å; M134-V183 HydrophobicContact SD-CG2 4Å |
| 135 | S | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 177 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | A131 S132 V133 R137 T138 C139 L150 | A131-S135 WeakPolarHBondContact O-CB 3.38Å; A131-S135 PolarHBondContact O-N 2.86Å; A131-S135 PolarHBondContact O-OG 3.39Å; S132-S135 WeakPolarHBondContact O-CA 3.19Å; S132-S135 VanDerWaalsContact O-CB 3.3Å; S132-S135 WeakPolarHBondContact O-CB 2.74Å; S132-S135 PolarHBondContact O-N 2.81Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 3.1Å; S135-R137 PolarHBondContact O-N 2.8Å; S135-T138 PolarHBondContact O-N 2.97Å; S135-C139 PolarHBondContact O-N 2.96Å; S135-L150 PolarHBondContact OG-N 3.01Å |
| 136 | D | 97.8 | Very high | 94.4 | Very high | 14 Ų | 14 | 22.6 Ų | 22.6 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.5 | -51.3 | 179.2 | -63 | -17.7 | 0 | 0 | 0 | 111 | I113 S132 V133 T138 C139 I140 P256 | I113-D136 WeakPolarHBondContact CA-OD1 3.31Å; I113-D136 HydrophobicContact CG1-CB 4.18Å; S132-D136 VanDerWaalsContact O-CG 3.23Å; S132-D136 PolarHBondContact O-N 3.13Å; V133-D136 PolarHBondContact O-N 3.13Å; D136-T138 VanDerWaalsContact C-N 3.32Å; D136-T138 PolarHBondContact O-N 3.35Å; D136-C139 WeakPolarHBondContact O-CB 3.48Å; D136-C139 PolarHBondContact O-N 3.28Å; D136-I140 VanDerWaalsContact O-CG1 3.27Å; D136-I140 WeakPolarHBondContact O-CG1 3.21Å; D136-I140 PolarHBondContact O-N 3.24Å; D136-P256 HydrophobicContact CB-CG 4.15Å; D136-P256 WeakPolarHBondContact OD2-CG 3.43Å |
| 137 | R | 96.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.011 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.6 | -28.2 | -177.6 | -66.5 | -169.6 | 169.6 | -144.3 | -14.8 | 113 | V133 S135 A141 Y238 D250 Y254 G255 P256 A292 G293 A295 | V133-R137 HydrophobicContact CG1-CG 4.3Å; V133-R137 WeakPolarHBondContact O-CB 3.2Å; V133-R137 VanDerWaalsContact O-CG 3.27Å; V133-R137 WeakPolarHBondContact O-CG 3.28Å; V133-R137 PolarHBondContact O-N 2.84Å; S135-R137 PolarHBondContact O-N 2.8Å; R137-A141 WeakPolarHBondContact O-CB 3.33Å; R137-A141 PolarHBondContact O-N 3.47Å; R137-Y238 PolarHBondContact NH1-OH 3.14Å; R137-D250 IonicContact CZ-OD2 3.91Å; R137-D250 IonicContact NH1-OD2 2.9Å; R137-D250 PolarHBondContact NH1-OD2 2.9Å; R137-D250 IonicContact NH2-OD2 2.77Å; R137-D250 PolarHBondContact NH2-OD2 3.15Å; R137-Y254 WeakPolarHBondContact CG-O 3.3Å; R137-G255 PolarHBondContact NH2-O 2.97Å; R137-P256 PolarHBondContact NE-O 2.9Å; R137-P256 PolarHBondContact NH2-O 3.3Å; R137-A292 VanDerWaalsContact CZ-CB 3.49Å; R137-A292 VanDerWaalsContact NH1-CB 3.31Å; R137-G293 WeakPolarHBondContact CD-O 2.98Å; R137-G293 PolarHBondContact NH1-O 2.91Å; R137-A295 HydrophobicContact CB-CB 4.47Å; R137-A295 WeakPolarHBondContact O-CB 3.41Å |
| 138 | T | 94.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -43.5 | 172.1 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | M134 S135 D136 S142 T146 W178 A295 | M134-T138 VanDerWaalsContact O-CB 3.28Å; M134-T138 WeakPolarHBondContact O-CB 3.49Å; M134-T138 PolarHBondContact O-N 3.19Å; M134-T138 PolarHBondContact O-OG1 3.38Å; S135-T138 PolarHBondContact O-N 2.97Å; D136-T138 VanDerWaalsContact C-N 3.32Å; D136-T138 PolarHBondContact O-N 3.35Å; T138-S142 VanDerWaalsContact O-CB 3.25Å; T138-S142 WeakPolarHBondContact O-CB 3.42Å; T138-S142 PolarHBondContact O-N 2.87Å; T138-S142 PolarHBondContact O-OG 3.22Å; T138-T146 HydrophobicContact CG2-CG2 3.64Å; T138-W178 WeakPolarHBondContact OG1-CZ2 3.24Å; T138-A295 VanDerWaalsContact CA-CB 3.46Å |
| 139 | C | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -50 | 173.5 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | C109 I112 S135 D136 S142 N143 G144 T146 | C109-C139 WeakPolarHBondContact CA-SG 3.48Å; C109-C139 HydrophobicContact CB-CB 3.85Å; C109-C139 WeakPolarHBondContact CB-SG 3.41Å; C109-C139 WeakPolarHBondContact SG-CB 3.44Å; C109-C139 PolarHBondContact SG-O 2.9Å; C109-C139 VanDerWaalsContact SG-O 3.36Å; C109-C139 CovalentContact SG-SG 2.04Å; C109-C139 PolarHBondContact SG-SG 3.01Å; I112-C139 HydrophobicContact CB-CB 4.49Å; I112-C139 HydrophobicContact CG1-CB 4.34Å; I112-C139 HydrophobicContact CG2-CB 4.49Å; S135-C139 PolarHBondContact O-N 2.96Å; D136-C139 WeakPolarHBondContact O-CB 3.48Å; D136-C139 PolarHBondContact O-N 3.28Å; C139-S142 CarbonylContact O-C 3.59Å; C139-S142 PolarHBondContact O-N 3.13Å; C139-S142 PolarHBondContact O-OG 3.46Å; C139-S142 VanDerWaalsContact O-OG 3.05Å; C139-N143 PolarHBondContact O-N 3.31Å; C139-N143 VanDerWaalsContact O-N 3.11Å; C139-G144 PolarHBondContact O-N 3.34Å; C139-T146 WeakPolarHBondContact CA-O 3.15Å; C139-T146 PolarHBondContact N-O 3.24Å |
| 140 | I | 92.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -51.4 | -178 | -70.6 | 167.3 | 0 | 0 | 0 | 111.2 | W106 C109 I113 D136 S142 N143 | W106-I140 HydrophobicContact CB-CG1 4.17Å; W106-I140 HydrophobicContact CD2-CD1 3.88Å; W106-I140 HydrophobicContact CD2-CG1 3.87Å; W106-I140 HydrophobicContact CD2-CG2 4.07Å; W106-I140 HydrophobicContact CE3-CD1 3.71Å; W106-I140 HydrophobicContact CE3-CG1 4.2Å; W106-I140 HydrophobicContact CG-CD1 4.34Å; W106-I140 HydrophobicContact CG-CG1 3.83Å; W106-I140 HydrophobicContact CG-CG2 4.26Å; W106-I140 HydrophobicContact CZ2-CG2 4.04Å; W106-I140 HydrophobicContact CZ3-CD1 4.1Å; C109-I140 HydrophobicContact CB-CG1 4.39Å; C109-I140 PolarHBondContact SG-N 3.37Å; I113-I140 HydrophobicContact CD1-CD1 4.05Å; I113-I140 HydrophobicContact CD1-CG1 4.29Å; D136-I140 VanDerWaalsContact O-CG1 3.27Å; D136-I140 WeakPolarHBondContact O-CG1 3.21Å; D136-I140 PolarHBondContact O-N 3.24Å; I140-S142 PolarHBondContact O-N 2.97Å; I140-N143 PolarHBondContact O-N 2.69Å |
| 141 | A | 87.7 | Confident | 94.4 | Very high | 44 Ų | 44 | 26.3 Ų | 26.3 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.9 | -34.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R137 N143 A295 V297 | R137-A141 WeakPolarHBondContact O-CB 3.33Å; R137-A141 PolarHBondContact O-N 3.47Å; A141-N143 VanDerWaalsContact C-N 3.27Å; A141-N143 PolarHBondContact O-N 3.48Å; A141-A295 HydrophobicContact CB-CB 3.96Å; A141-V297 HydrophobicContact CB-CG2 3.68Å; A141-V297 WeakPolarHBondContact O-CG2 3.44Å |
| 142 | S | 87.2 | Confident | 94.3 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 4.7 | 178.6 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | T138 C139 I140 G144 S145 T146 | T138-S142 VanDerWaalsContact O-CB 3.25Å; T138-S142 WeakPolarHBondContact O-CB 3.42Å; T138-S142 PolarHBondContact O-N 2.87Å; T138-S142 PolarHBondContact O-OG 3.22Å; C139-S142 CarbonylContact O-C 3.59Å; C139-S142 PolarHBondContact O-N 3.13Å; C139-S142 PolarHBondContact O-OG 3.46Å; C139-S142 VanDerWaalsContact O-OG 3.05Å; I140-S142 PolarHBondContact O-N 2.97Å; S142-G144 PolarHBondContact O-N 2.8Å; S142-S145 WeakPolarHBondContact CB-OG 3.05Å; S142-S145 WeakPolarHBondContact O-CB 3.11Å; S142-S145 PolarHBondContact O-N 3.36Å; S142-S145 VanDerWaalsContact O-N 3.08Å; S142-S145 PolarHBondContact O-OG 2.79Å; S142-T146 WeakPolarHBondContact OG-CA 3.16Å; S142-T146 WeakPolarHBondContact OG-CB 3.37Å; S142-T146 PolarHBondContact OG-N 2.82Å |
| 143 | N | 90.3 | Very high | 94.3 | Very high | 128 Ų | 128 | 26 Ų | 26 | 68% | 0.684 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.8 | -173.6 | -164.2 | 36 | 0 | 0 | 0 | 113 | C139 I140 A141 S145 | C139-N143 PolarHBondContact O-N 3.31Å; C139-N143 VanDerWaalsContact O-N 3.11Å; I140-N143 PolarHBondContact O-N 2.69Å; A141-N143 VanDerWaalsContact C-N 3.27Å; A141-N143 PolarHBondContact O-N 3.48Å; N143-S145 VanDerWaalsContact C-N 3.33Å; N143-S145 PolarHBondContact O-N 2.88Å |
| 144 | G | 90.3 | Very high | 94.2 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 19% | 0.186 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -10.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | C139 S142 T146 | C139-G144 PolarHBondContact O-N 3.34Å; S142-G144 PolarHBondContact O-N 2.8Å; G144-T146 PolarHBondContact O-N 2.79Å |
| 145 | S | 90.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 25.8 Ų | 25.8 | 69% | 0.685 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | S142 N143 | S142-S145 WeakPolarHBondContact CB-OG 3.05Å; S142-S145 WeakPolarHBondContact O-CB 3.11Å; S142-S145 PolarHBondContact O-N 3.36Å; S142-S145 VanDerWaalsContact O-N 3.08Å; S142-S145 PolarHBondContact O-OG 2.79Å; N143-S145 VanDerWaalsContact C-N 3.33Å; N143-S145 PolarHBondContact O-N 2.88Å |
| 146 | T | 91.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 26 Ų | 26 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 73.2 | 172.5 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | T138 C139 S142 G144 V148 | T138-T146 HydrophobicContact CG2-CG2 3.64Å; C139-T146 WeakPolarHBondContact CA-O 3.15Å; C139-T146 PolarHBondContact N-O 3.24Å; S142-T146 WeakPolarHBondContact OG-CA 3.16Å; S142-T146 WeakPolarHBondContact OG-CB 3.37Å; S142-T146 PolarHBondContact OG-N 2.82Å; G144-T146 PolarHBondContact O-N 2.79Å; T146-V148 HydrophobicContact CG2-CG2 4.04Å; T146-V148 PolarHBondContact O-N 2.66Å |
| 147 | A | 93.2 | Very high | 94 | Very high | 49 Ų | 49 | 25.9 Ų | 25.9 | 41% | 0.405 | 16% | 0.164 | S | C | . | . | trans | -93.2 | 76.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I112 | I112-A147 HydrophobicContact CD1-CB 4.29Å; I112-A147 HydrophobicContact CG1-CB 4.03Å | ||
| 148 | V | 94.6 | Very high | 93.8 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 26% | 0.261 | 17% | 0.169 | S | C | . | . | trans | -126 | 150.7 | -179 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | T146 L150 T185 | T146-V148 HydrophobicContact CG2-CG2 4.04Å; T146-V148 PolarHBondContact O-N 2.66Å; V148-L150 HydrophobicContact CG2-CD2 4.19Å; V148-T185 HydrophobicContact CB-CG2 4.02Å; V148-T185 HydrophobicContact CG1-CG2 4.39Å; V148-T185 HydrophobicContact CG2-CG2 4.03Å | ||
| 149 | F | 97.2 | Very high | 93.4 | Very high | 54 Ų | 54 | 26.4 Ų | 26.4 | 24% | 0.237 | 17% | 0.168 | C | C | . | . | trans | -83.9 | 131.5 | 169.7 | -64.3 | -64.6 | 0 | 0 | 0 | 110 | I112 H115 T185 G186 | I112-F149 HydrophobicContact CD1-CD1 4.39Å; I112-F149 HydrophobicContact CD1-CE1 3.89Å; I112-F149 HydrophobicContact CD1-CE2 4.17Å; I112-F149 HydrophobicContact CD1-CZ 3.78Å; I112-F149 HydrophobicContact CG2-CD1 4.47Å; I112-F149 HydrophobicContact CG2-CE1 4.15Å; H115-F149 HydrophobicContact CB-CE1 3.57Å; H115-F149 HydrophobicContact CB-CZ 3.67Å; H115-F149 AromaticContact CD2-CE1 3.58Å; H115-F149 AromaticContact CD2-CZ 3.77Å; H115-F149 AromaticContact CG-CE1 3.61Å; H115-F149 AromaticContact CG-CZ 3.52Å; H115-F149 AromaticContact ND1-CZ 3.97Å; F149-T185 CarbonylContact O-C 3.55Å; F149-T185 VanDerWaalsContact O-CA 3.22Å; F149-T185 WeakPolarHBondContact O-CA 3.34Å; F149-G186 WeakPolarHBondContact CB-O 3.28Å; F149-G186 PolarHBondContact O-N 2.85Å; F149-G186 VanDerWaalsContact O-O 3.11Å | ||
| 150 | L | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 151.3 | 175.6 | -61.7 | -178 | 0 | 0 | 0 | 111.1 | K117 M134 S135 V148 E152 W178 V183 H232 | K117-L150 PolarHBondContact NZ-O 2.78Å; M134-L150 HydrophobicContact CB-CD1 3.57Å; S135-L150 PolarHBondContact OG-N 3.01Å; V148-L150 HydrophobicContact CG2-CD2 4.19Å; L150-E152 PolarHBondContact O-N 2.98Å; L150-W178 HydrophobicContact CD1-CZ2 4.27Å; L150-V183 HydrophobicContact CB-CG1 3.99Å; L150-H232 HydrophobicContact CD1-CB 4.23Å; L150-H232 HydrophobicContact CD2-CB 3.74Å |
| 151 | S | 97.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -82.7 | 110.3 | -166.1 | -177.5 | 0 | 0 | 0 | 0 | 114.5 | E153 E154 V183 P184 K196 | S151-E153 VanDerWaalsContact C-N 3.27Å; S151-E153 WeakPolarHBondContact OG-CB 3.38Å; S151-E153 PolarHBondContact OG-N 2.99Å; S151-E154 PolarHBondContact O-N 3.34Å; S151-E154 PolarHBondContact OG-N 3.2Å; S151-V183 WeakPolarHBondContact O-CG1 3.35Å; S151-P184 WeakPolarHBondContact CB-O 3.49Å; S151-P184 PolarHBondContact N-O 2.91Å; S151-K196 WeakPolarHBondContact CB-O 3.17Å; S151-K196 WeakPolarHBondContact OG-CB 3.34Å; S151-K196 PolarHBondContact OG-O 3.3Å | ||
| 152 | E | 96.9 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -31.9 | 163.4 | 58.9 | -86 | -155.7 | 0 | 0 | 111.9 | K117 V128 A131 L150 E154 L155 I156 Y198 | K117-E152 IonicContact NZ-OE1 3.52Å; K117-E152 IonicContact NZ-OE2 2.76Å; K117-E152 PolarHBondContact NZ-OE2 3.38Å; V128-E152 HydrophobicContact CG2-CB 4.21Å; V128-E152 HydrophobicContact CG2-CG 4.25Å; A131-E152 HydrophobicContact CB-CB 3.93Å; L150-E152 PolarHBondContact O-N 2.98Å; E152-E154 VanDerWaalsContact C-N 3.35Å; E152-E154 PolarHBondContact O-N 2.97Å; E152-L155 PolarHBondContact O-N 3.19Å; E152-L155 VanDerWaalsContact O-N 3.13Å; E152-I156 HydrophobicContact CB-CD1 4.31Å; E152-I156 WeakPolarHBondContact O-CB 3.27Å; E152-I156 WeakPolarHBondContact O-CD1 3.1Å; E152-I156 WeakPolarHBondContact O-CG1 3.24Å; E152-I156 PolarHBondContact O-N 2.96Å; E152-Y198 HydrophobicContact CG-CD2 3.53Å; E152-Y198 HydrophobicContact CG-CE2 4Å; E152-Y198 HydrophobicContact CG-CG 4.17Å |
| 153 | E | 96.6 | Very high | 91 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 176 | 179.2 | 68.6 | -151.6 | 0 | 0 | 111.4 | S151 L155 I156 S157 S199 P213 | S151-E153 VanDerWaalsContact C-N 3.27Å; S151-E153 WeakPolarHBondContact OG-CB 3.38Å; S151-E153 PolarHBondContact OG-N 2.99Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.43Å; E153-I156 PolarHBondContact O-N 2.78Å; E153-S157 VanDerWaalsContact O-CB 3.24Å; E153-S157 WeakPolarHBondContact O-CB 3.18Å; E153-S157 PolarHBondContact O-N 2.7Å; E153-S157 PolarHBondContact O-OG 3.17Å; E153-S199 VanDerWaalsContact CD-OG 3.25Å; E153-S199 PolarHBondContact OE1-OG 2.81Å; E153-S199 VanDerWaalsContact OE2-CB 3.3Å; E153-S199 WeakPolarHBondContact OE2-CB 3.46Å; E153-S199 PolarHBondContact OE2-N 3.19Å; E153-S199 PolarHBondContact OE2-OG 3.46Å; E153-P213 WeakPolarHBondContact OE1-CB 3.45Å |
| 154 | E | 97.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 173 | 174.5 | 76.7 | 171.8 | 0 | 0 | 111.3 | S151 E152 C158 C159 Y177 V183 P184 K196 R231 | S151-E154 PolarHBondContact O-N 3.34Å; S151-E154 PolarHBondContact OG-N 3.2Å; E152-E154 VanDerWaalsContact C-N 3.35Å; E152-E154 PolarHBondContact O-N 2.97Å; E154-C158 WeakPolarHBondContact O-CA 3.32Å; E154-C158 VanDerWaalsContact O-CB 3.26Å; E154-C158 WeakPolarHBondContact O-CB 3.49Å; E154-C158 PolarHBondContact O-N 3.49Å; E154-C159 PolarHBondContact O-N 3.46Å; E154-Y177 HydrophobicContact CG-CE1 3.93Å; E154-Y177 PolarHBondContact OE1-OH 3.26Å; E154-V183 HydrophobicContact CB-CG1 4.44Å; E154-P184 HydrophobicContact CB-CG 4Å; E154-P184 HydrophobicContact CG-CG 4.17Å; E154-K196 HydrophobicContact CB-CD 4.19Å; E154-K196 WeakPolarHBondContact OE2-CD 3.48Å; E154-K196 WeakPolarHBondContact OE2-CE 3.37Å; E154-K196 IonicContact OE2-NZ 2.88Å; E154-K196 PolarHBondContact OE2-NZ 3.03Å; E154-R231 IonicContact OE1-CZ 2.64Å; E154-R231 VanDerWaalsContact OE1-CZ 3.32Å; E154-R231 IonicContact OE1-NH1 3.54Å; E154-R231 PolarHBondContact OE1-NH1 3.21Å; E154-R231 IonicContact OE1-NH2 2.66Å; E154-R231 PolarHBondContact OE1-NH2 3.4Å; E154-R231 IonicContact OE2-NH2 3.74Å |
| 155 | L | 96.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | -179.3 | -64.6 | 177.5 | 0 | 0 | 0 | 111 | W126 A127 A130 A131 M134 E152 E153 C159 A174 Y177 V183 | W126-L155 HydrophobicContact CH2-CB 4.46Å; W126-L155 HydrophobicContact CZ3-CB 4.3Å; A127-L155 HydrophobicContact CB-CB 3.97Å; A127-L155 HydrophobicContact CB-CD1 4.45Å; A130-L155 HydrophobicContact CB-CD1 4.25Å; A131-L155 HydrophobicContact CB-CD1 4.14Å; M134-L155 HydrophobicContact CE-CD1 4.16Å; M134-L155 HydrophobicContact SD-CD1 4.3Å; E152-L155 PolarHBondContact O-N 3.19Å; E152-L155 VanDerWaalsContact O-N 3.13Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.43Å; L155-C159 WeakPolarHBondContact O-CB 3.3Å; L155-C159 PolarHBondContact O-N 2.91Å; L155-A174 HydrophobicContact CD1-CB 4.17Å; L155-A174 HydrophobicContact CD2-CB 4.29Å; L155-Y177 HydrophobicContact CD2-CD1 3.81Å; L155-Y177 HydrophobicContact CD2-CE1 4.44Å; L155-Y177 HydrophobicContact CD2-CG 4.44Å; L155-V183 HydrophobicContact CD2-CG2 3.95Å |
| 156 | I | 95.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.8 | -45.5 | -177.2 | -65.1 | 159.8 | 0 | 0 | 0 | 111.2 | W126 A127 E152 E153 Y198 T212 | W126-I156 HydrophobicContact CZ2-CG1 4.44Å; A127-I156 HydrophobicContact CB-CD1 4.09Å; A127-I156 HydrophobicContact CB-CG1 3.47Å; A127-I156 VanDerWaalsContact CB-CG1 3.47Å; E152-I156 HydrophobicContact CB-CD1 4.31Å; E152-I156 WeakPolarHBondContact O-CB 3.27Å; E152-I156 WeakPolarHBondContact O-CD1 3.1Å; E152-I156 WeakPolarHBondContact O-CG1 3.24Å; E152-I156 PolarHBondContact O-N 2.96Å; E153-I156 PolarHBondContact O-N 2.78Å; I156-Y198 HydrophobicContact CD1-CD2 4.34Å; I156-Y198 HydrophobicContact CD1-CE2 3.52Å; I156-T212 HydrophobicContact CG2-CG2 4.21Å |
| 157 | S | 95.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 8% | 0.077 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.9 | -36.5 | -170.8 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | E153 P213 C215 | E153-S157 VanDerWaalsContact O-CB 3.24Å; E153-S157 WeakPolarHBondContact O-CB 3.18Å; E153-S157 PolarHBondContact O-N 2.7Å; E153-S157 PolarHBondContact O-OG 3.17Å; S157-P213 VanDerWaalsContact CB-O 3.23Å; S157-P213 WeakPolarHBondContact CB-O 3.42Å; S157-C215 VanDerWaalsContact O-CB 3.27Å; S157-C215 WeakPolarHBondContact O-CB 3.36Å |
| 158 | C | 91.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 11% | 0.108 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -110.7 | -22.6 | -169.6 | -63.7 | 0 | 0 | 0 | 0 | 114.8 | E154 R160 K196 C215 | E154-C158 WeakPolarHBondContact O-CA 3.32Å; E154-C158 VanDerWaalsContact O-CB 3.26Å; E154-C158 WeakPolarHBondContact O-CB 3.49Å; E154-C158 PolarHBondContact O-N 3.49Å; C158-R160 PolarHBondContact O-N 3.01Å; C158-K196 PolarHBondContact SG-NZ 3.5Å; C158-C215 VanDerWaalsContact CA-SG 3.55Å; C158-C215 HydrophobicContact CB-CB 3.96Å; C158-C215 WeakPolarHBondContact CB-SG 3.38Å; C158-C215 WeakPolarHBondContact SG-CA 3.3Å; C158-C215 WeakPolarHBondContact SG-CB 3.16Å; C158-C215 CovalentContact SG-SG 2.04Å; C158-C215 PolarHBondContact SG-SG 3.32Å |
| 159 | C | 86.2 | Confident | 89.8 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | trans | -78.7 | 85.5 | -178.6 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | E154 L155 I161 C162 Y177 | E154-C159 PolarHBondContact O-N 3.46Å; L155-C159 WeakPolarHBondContact O-CB 3.3Å; L155-C159 PolarHBondContact O-N 2.91Å; C159-I161 PolarHBondContact O-N 2.99Å; C159-I161 VanDerWaalsContact O-N 3.17Å; C159-I161 WeakPolarHBondContact SG-CG1 3.49Å; C159-C162 HydrophobicContact CB-CB 3.66Å; C159-C162 WeakPolarHBondContact CB-SG 3.4Å; C159-C162 PolarHBondContact O-N 3.05Å; C159-C162 WeakPolarHBondContact SG-CB 3.34Å; C159-C162 PolarHBondContact SG-N 3.07Å; C159-C162 CovalentContact SG-SG 2.01Å; C159-C162 PolarHBondContact SG-SG 3.37Å; C159-Y177 HydrophobicContact CB-CD1 4.44Å; C159-Y177 HydrophobicContact CB-CD2 3.72Å; C159-Y177 HydrophobicContact CB-CE2 3.96Å; C159-Y177 HydrophobicContact CB-CG 3.98Å; C159-Y177 VanDerWaalsContact SG-CB 3.54Å; C159-Y177 WeakPolarHBondContact SG-CD2 3.3Å; C159-Y177 VanDerWaalsContact SG-CG 3.53Å | ||
| 160 | R | 82.9 | Confident | 89.2 | Confident | 220 Ų | 220 | 33.3 Ų | 33.3 | 83% | 0.83 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22 | 178 | -67.1 | -79.6 | 171.5 | 138.1 | -7.1 | 114.3 | C158 | C158-R160 PolarHBondContact O-N 3.01Š|
| 161 | I | 74 | Confident | 88.8 | Confident | 66 Ų | 66 | 33.5 Ų | 33.5 | 34% | 0.338 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -18.4 | 176.8 | 63.3 | 174.5 | 0 | 0 | 0 | 112.4 | C159 R173 L176 Y177 L180 | C159-I161 PolarHBondContact O-N 2.99Å; C159-I161 VanDerWaalsContact O-N 3.17Å; C159-I161 WeakPolarHBondContact SG-CG1 3.49Å; I161-R173 WeakPolarHBondContact O-CD 3.09Å; I161-L176 HydrophobicContact CD1-CD2 4.04Å; I161-L176 HydrophobicContact CD1-CG 4.1Å; I161-Y177 HydrophobicContact CG1-CD2 4.48Å; I161-L180 HydrophobicContact CD1-CD1 4.34Å |
| 162 | C | 79.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -32.9 | -171.1 | -64 | 0 | 0 | 0 | 0 | 113.3 | W126 C159 G169 Y170 A174 | W126-C162 HydrophobicContact CE3-CB 4.2Å; W126-C162 HydrophobicContact CH2-CB 3.55Å; W126-C162 HydrophobicContact CZ3-CB 3.28Å; C159-C162 HydrophobicContact CB-CB 3.66Å; C159-C162 WeakPolarHBondContact CB-SG 3.4Å; C159-C162 PolarHBondContact O-N 3.05Å; C159-C162 WeakPolarHBondContact SG-CB 3.34Å; C159-C162 PolarHBondContact SG-N 3.07Å; C159-C162 CovalentContact SG-SG 2.01Å; C159-C162 PolarHBondContact SG-SG 3.37Å; C162-G169 CarbonylContact O-C 3.4Å; C162-G169 WeakPolarHBondContact O-CA 3.18Å; C162-Y170 PolarHBondContact O-N 3.37Å; C162-A174 WeakPolarHBondContact SG-CA 3.39Å |
| 163 | G | 76.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | B | Isolated β-bridge | trans | 160.4 | -159.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G168 | G163-G168 CarbonylContact C-O 3.53Å |
| 164 | M | 85 | Confident | 87.2 | Confident | 144 Ų | 144 | 36.8 Ų | 36.8 | 71% | 0.709 | 18% | 0.182 | S | C | * | . | trans | -103.9 | 32.9 | -178.9 | -59.1 | -170.6 | -158.8 | 0 | 0 | 112.3 | C166 D167 G168 T212 | M164-C166 PolarHBondContact O-N 3.48Å; M164-D167 HydrophobicContact CB-CB 3.88Å; M164-D167 PolarHBondContact O-N 3.42Å; M164-G168 PolarHBondContact N-O 2.66Å; M164-T212 PolarHBondContact O-OG1 3.19Å | ||
| 165 | G | 89.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | 66.2 | -116.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W126 D167 G168 | W126-G165 PolarHBondContact NE1-O 3.31Å; G165-D167 VanDerWaalsContact C-N 3.26Å; G165-D167 PolarHBondContact O-N 2.97Å; G165-G168 PolarHBondContact O-N 2.73Å |
| 166 | C | 91.5 | Very high | 86.2 | Confident | 8 Ų | 8 | 38.2 Ų | 38.2 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.8 | -15.2 | 177.5 | -70.3 | 0 | 0 | 0 | 0 | 114.4 | C122 G123 M164 G168 S210 T212 | C122-C166 HydrophobicContact CB-CB 4Å; C122-C166 WeakPolarHBondContact CB-SG 3.38Å; C122-C166 WeakPolarHBondContact SG-CA 3.29Å; C122-C166 WeakPolarHBondContact SG-CB 3.25Å; C122-C166 CovalentContact SG-SG 2.03Å; C122-C166 PolarHBondContact SG-SG 3.3Å; G123-C166 WeakPolarHBondContact CA-O 3.24Å; G123-C166 PolarHBondContact N-O 3.09Å; M164-C166 PolarHBondContact O-N 3.48Å; C166-G168 PolarHBondContact O-N 2.94Å; C166-S210 WeakPolarHBondContact CB-O 3.17Å; C166-T212 PolarHBondContact N-OG1 3.48Å |
| 167 | D | 87.3 | Confident | 85.6 | Confident | 130 Ų | 130 | 38.8 Ų | 38.8 | 70% | 0.695 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -87 | 5.1 | 174.1 | -58.7 | -46.9 | 0 | 0 | 0 | 112.4 | M164 G165 | M164-D167 HydrophobicContact CB-CB 3.88Å; M164-D167 PolarHBondContact O-N 3.42Å; G165-D167 VanDerWaalsContact C-N 3.26Å; G165-D167 PolarHBondContact O-N 2.97Å |
| 168 | G | 86.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | trans | 110.3 | 171.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | G67 W126 G163 M164 G165 C166 | G67-G168 CarbonylContact O-C 3.53Å; G67-G168 WeakPolarHBondContact O-CA 3.37Å; W126-G168 VanDerWaalsContact NE1-C 3.28Å; G163-G168 CarbonylContact C-O 3.53Å; M164-G168 PolarHBondContact N-O 2.66Å; G165-G168 PolarHBondContact O-N 2.73Å; C166-G168 PolarHBondContact O-N 2.94Å | ||
| 169 | G | 85.1 | Confident | 85 | Confident | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -177.4 | 178.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G67 Y68 W126 C162 | G67-G169 PolarHBondContact O-N 3.31Å; Y68-G169 WeakPolarHBondContact CD2-O 3.32Å; W126-G169 VanDerWaalsContact CB-O 3.26Å; W126-G169 WeakPolarHBondContact CB-O 3.21Å; C162-G169 CarbonylContact O-C 3.4Å; C162-G169 WeakPolarHBondContact O-CA 3.18Å |
| 170 | Y | 84.8 | Confident | 84.2 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | trans | -117.4 | 108.1 | -164.2 | -156.8 | -108.9 | 0 | 0 | 0 | 111.2 | Y68 F81 C162 P172 R173 A174 R239 | Y68-Y170 HydrophobicContact CD2-CD2 4.44Å; Y68-Y170 AromaticContact CE2-CD2 3.57Å; Y68-Y170 HydrophobicContact CE2-CD2 3.57Å; Y68-Y170 AromaticContact CE2-CE2 3.74Å; Y68-Y170 HydrophobicContact CE2-CE2 3.74Å; Y68-Y170 HydrophobicContact CE2-CG 4.46Å; F81-Y170 HydrophobicContact CE2-CD1 4.37Å; F81-Y170 AromaticContact CE2-CE1 3.91Å; F81-Y170 HydrophobicContact CE2-CE1 3.91Å; F81-Y170 HydrophobicContact CZ-CE1 4.49Å; C162-Y170 PolarHBondContact O-N 3.37Å; Y170-P172 HydrophobicContact CD1-CB 3.87Å; Y170-P172 VanDerWaalsContact CD1-CD 3.49Å; Y170-P172 HydrophobicContact CD1-CG 3.74Å; Y170-P172 HydrophobicContact CE1-CB 3.73Å; Y170-P172 HydrophobicContact CE1-CG 3.38Å; Y170-R173 HydrophobicContact CD1-CG 4.11Å; Y170-R173 PolarHBondContact O-N 3.22Å; Y170-A174 PolarHBondContact O-N 3.48Å; Y170-R239 PolarHBondContact OH-NH1 2.85Å; Y170-R239 PolarHBondContact OH-NH2 3.42Å | ||
| 171 | P | 89 | Confident | 84.1 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.2 | -40.2 | -174.8 | -23.9 | 31.9 | 0 | 0 | 0 | 115.6 | Y68 W126 R173 A174 F175 V258 | Y68-P171 HydrophobicContact CD2-CG 4.25Å; Y68-P171 HydrophobicContact CE2-CG 4.18Å; W126-P171 HydrophobicContact CB-CG 3.95Å; P171-R173 PolarHBondContact O-N 2.99Å; P171-A174 WeakPolarHBondContact O-CA 3.4Å; P171-A174 VanDerWaalsContact O-CB 3.29Å; P171-A174 WeakPolarHBondContact O-CB 3.5Å; P171-A174 PolarHBondContact O-N 2.84Å; P171-F175 VanDerWaalsContact O-CD2 3.26Å; P171-F175 WeakPolarHBondContact O-CD2 3.41Å; P171-F175 PolarHBondContact O-N 2.86Å; P171-V258 HydrophobicContact CB-CB 4.44Å; P171-V258 HydrophobicContact CB-CG1 3.78Å; P171-V258 HydrophobicContact CG-CG1 4Å |
| 172 | P | 83.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.2 | -37.2 | 174.3 | -28.8 | 35.2 | 0 | 0 | 0 | 113.8 | F81 Y170 A174 F175 L176 R239 | F81-P172 HydrophobicContact CD1-CB 3.77Å; F81-P172 HydrophobicContact CD2-CB 3.91Å; F81-P172 HydrophobicContact CE1-CB 3.61Å; F81-P172 WeakPolarHBondContact CE1-O 3.12Å; F81-P172 HydrophobicContact CE2-CB 3.75Å; F81-P172 HydrophobicContact CG-CB 3.94Å; F81-P172 HydrophobicContact CZ-CB 3.62Å; Y170-P172 HydrophobicContact CD1-CB 3.87Å; Y170-P172 VanDerWaalsContact CD1-CD 3.49Å; Y170-P172 HydrophobicContact CD1-CG 3.74Å; Y170-P172 HydrophobicContact CE1-CB 3.73Å; Y170-P172 HydrophobicContact CE1-CG 3.38Å; P172-A174 VanDerWaalsContact C-N 3.34Å; P172-F175 PolarHBondContact O-N 3.03Å; P172-L176 PolarHBondContact O-N 2.57Å; P172-L176 VanDerWaalsContact O-N 3.07Å; P172-R239 HydrophobicContact CG-CG 4.4Å |
| 173 | R | 84.2 | Confident | 85.7 | Confident | 87 Ų | 87 | 37.7 Ų | 37.7 | 33% | 0.328 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -73 | -26.3 | 177.4 | -70.5 | -174.8 | -171.3 | 152.3 | 0.7 | 112.8 | E80 F81 I161 Y170 P171 L176 Y177 | E80-R173 IonicContact OE1-CZ 2.68Å; E80-R173 IonicContact OE1-NE 3.66Å; E80-R173 PolarHBondContact OE1-NE 3.32Å; E80-R173 IonicContact OE1-NH2 2.86Å; E80-R173 PolarHBondContact OE1-NH2 3.33Å; E80-R173 VanDerWaalsContact OE1-NH2 3.11Å; E80-R173 IonicContact OE2-NH2 2.97Å; E80-R173 PolarHBondContact OE2-NH2 2.83Å; F81-R173 HydrophobicContact CE1-CG 4.34Å; F81-R173 HydrophobicContact CZ-CG 3.6Å; I161-R173 WeakPolarHBondContact O-CD 3.09Å; Y170-R173 HydrophobicContact CD1-CG 4.11Å; Y170-R173 PolarHBondContact O-N 3.22Å; P171-R173 PolarHBondContact O-N 2.99Å; R173-L176 PolarHBondContact O-N 2.96Å; R173-Y177 PolarHBondContact O-N 2.92Å |
| 174 | A | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -41.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W126 A130 M134 L155 C162 Y170 P171 P172 Y177 W178 | W126-A174 HydrophobicContact CZ3-CB 4.45Å; A130-A174 HydrophobicContact CB-CB 3.68Å; M134-A174 VanDerWaalsContact CE-C 3.49Å; M134-A174 HydrophobicContact CE-CB 4.04Å; M134-A174 VanDerWaalsContact CE-O 3.23Å; M134-A174 WeakPolarHBondContact CE-O 3.36Å; L155-A174 HydrophobicContact CD1-CB 4.17Å; L155-A174 HydrophobicContact CD2-CB 4.29Å; C162-A174 WeakPolarHBondContact SG-CA 3.39Å; Y170-A174 PolarHBondContact O-N 3.48Å; P171-A174 WeakPolarHBondContact O-CA 3.4Å; P171-A174 VanDerWaalsContact O-CB 3.29Å; P171-A174 WeakPolarHBondContact O-CB 3.5Å; P171-A174 PolarHBondContact O-N 2.84Å; P172-A174 VanDerWaalsContact C-N 3.34Å; A174-Y177 WeakPolarHBondContact O-CB 3.34Å; A174-Y177 PolarHBondContact O-N 3.18Å; A174-W178 PolarHBondContact O-N 2.65Å |
| 175 | F | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 173.8 | -66.4 | -70.3 | 0 | 0 | 0 | 112.5 | A130 V133 M134 P171 P172 Y177 W178 W179 V258 S291 | A130-F175 HydrophobicContact CB-CE2 4.5Å; A130-F175 HydrophobicContact CB-CZ 4.41Å; V133-F175 HydrophobicContact CB-CE1 4.41Å; V133-F175 HydrophobicContact CB-CZ 4.11Å; V133-F175 HydrophobicContact CG1-CE1 3.87Å; V133-F175 HydrophobicContact CG1-CZ 3.76Å; M134-F175 HydrophobicContact CE-CD1 3.86Å; M134-F175 HydrophobicContact CE-CE1 4.11Å; M134-F175 HydrophobicContact CE-CG 4.37Å; M134-F175 HydrophobicContact CG-CD1 4.21Å; M134-F175 HydrophobicContact CG-CE1 3.9Å; P171-F175 VanDerWaalsContact O-CD2 3.26Å; P171-F175 WeakPolarHBondContact O-CD2 3.41Å; P171-F175 PolarHBondContact O-N 2.86Å; P172-F175 PolarHBondContact O-N 3.03Å; F175-Y177 VanDerWaalsContact C-N 3.34Å; F175-Y177 PolarHBondContact O-N 3.35Å; F175-W178 AromaticContact CD1-CE3 3.97Å; F175-W178 HydrophobicContact CD1-CE3 3.97Å; F175-W178 HydrophobicContact CD1-CZ3 4.32Å; F175-W178 PolarHBondContact O-N 2.87Å; F175-W179 PolarHBondContact O-N 3.31Å; F175-V258 HydrophobicContact CE2-CB 4.23Å; F175-V258 HydrophobicContact CE2-CG2 3.86Å; F175-V258 HydrophobicContact CZ-CB 4.48Å; F175-V258 HydrophobicContact CZ-CG2 3.72Å; F175-S291 WeakPolarHBondContact CE2-O 3.48Å |
| 176 | L | 82.8 | Confident | 87.5 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 171.1 | 173.5 | 61.3 | 0 | 0 | 0 | 111.7 | F81 I161 P172 R173 W179 L180 Y237 | F81-L176 HydrophobicContact CE1-CB 4.36Å; I161-L176 HydrophobicContact CD1-CD2 4.04Å; I161-L176 HydrophobicContact CD1-CG 4.1Å; P172-L176 PolarHBondContact O-N 2.57Å; P172-L176 VanDerWaalsContact O-N 3.07Å; R173-L176 PolarHBondContact O-N 2.96Å; L176-W179 HydrophobicContact CD1-CE3 4.04Å; L176-W179 WeakPolarHBondContact O-CB 3.2Å; L176-W179 PolarHBondContact O-N 2.76Å; L176-L180 HydrophobicContact CD1-CD1 3.89Å; L176-L180 HydrophobicContact CD1-CG 4.04Å; L176-L180 HydrophobicContact CG-CD1 3.99Å; L176-L180 WeakPolarHBondContact O-CG 3.25Å; L176-L180 PolarHBondContact O-N 3.5Å; L176-Y237 HydrophobicContact CB-CD2 3.94Å; L176-Y237 HydrophobicContact CB-CE2 4.12Å; L176-Y237 HydrophobicContact CB-CG 4.3Å; L176-Y237 HydrophobicContact CD1-CD1 4.23Å; L176-Y237 HydrophobicContact CD1-CD2 4.27Å; L176-Y237 HydrophobicContact CD1-CE1 3.7Å; L176-Y237 HydrophobicContact CD1-CE2 3.76Å; L176-Y237 VanDerWaalsContact CD1-CZ 3.45Å; L176-Y237 HydrophobicContact CG-CE2 4.41Å |
| 177 | Y | 81.5 | Confident | 87.5 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -42.7 | 175.3 | -174.9 | -88.5 | 0 | 0 | 0 | 112.1 | E154 L155 C159 I161 R173 A174 F175 W179 L180 Y181 G182 V183 | E154-Y177 HydrophobicContact CG-CE1 3.93Å; E154-Y177 PolarHBondContact OE1-OH 3.26Å; L155-Y177 HydrophobicContact CD2-CD1 3.81Å; L155-Y177 HydrophobicContact CD2-CE1 4.44Å; L155-Y177 HydrophobicContact CD2-CG 4.44Å; C159-Y177 HydrophobicContact CB-CD1 4.44Å; C159-Y177 HydrophobicContact CB-CD2 3.72Å; C159-Y177 HydrophobicContact CB-CE2 3.96Å; C159-Y177 HydrophobicContact CB-CG 3.98Å; C159-Y177 VanDerWaalsContact SG-CB 3.54Å; C159-Y177 WeakPolarHBondContact SG-CD2 3.3Å; C159-Y177 VanDerWaalsContact SG-CG 3.53Å; I161-Y177 HydrophobicContact CG1-CD2 4.48Å; R173-Y177 PolarHBondContact O-N 2.92Å; A174-Y177 WeakPolarHBondContact O-CB 3.34Å; A174-Y177 PolarHBondContact O-N 3.18Å; F175-Y177 VanDerWaalsContact C-N 3.34Å; F175-Y177 PolarHBondContact O-N 3.35Å; Y177-W179 VanDerWaalsContact C-N 3.25Å; Y177-W179 PolarHBondContact O-N 3.12Å; Y177-L180 PolarHBondContact O-N 3.48Å; Y177-Y181 AromaticContact CD2-CD2 3.36Å; Y177-Y181 HydrophobicContact CD2-CD2 3.36Å; Y177-Y181 AromaticContact CD2-CE2 3.96Å; Y177-Y181 HydrophobicContact CD2-CE2 3.96Å; Y177-Y181 HydrophobicContact CD2-CG 4.3Å; Y177-Y181 AromaticContact CE2-CD2 3.45Å; Y177-Y181 HydrophobicContact CE2-CD2 3.45Å; Y177-Y181 VanDerWaalsContact CE2-CD2 3.45Å; Y177-Y181 HydrophobicContact CE2-CE2 4.12Å; Y177-Y181 HydrophobicContact CE2-CG 4.04Å; Y177-Y181 AromaticContact CG-CD2 3.99Å; Y177-Y181 HydrophobicContact CG-CD2 3.99Å; Y177-Y181 PolarHBondContact O-N 3.44Å; Y177-G182 PolarHBondContact O-N 3.05Å; Y177-V183 HydrophobicContact CD1-CG2 4.21Å |
| 178 | W | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.8 | -35 | 175.8 | -177.2 | 37.1 | 0 | 0 | 0 | 112.7 | M134 T138 L150 A174 F175 G182 V183 H232 A234 A295 | M134-W178 HydrophobicContact CB-CD2 4.11Å; M134-W178 HydrophobicContact CB-CE3 4.18Å; M134-W178 HydrophobicContact CB-CH2 4Å; M134-W178 HydrophobicContact CB-CZ2 3.98Å; M134-W178 HydrophobicContact CB-CZ3 4.11Å; M134-W178 HydrophobicContact CE-CB 3.72Å; M134-W178 HydrophobicContact CE-CD2 4.48Å; M134-W178 HydrophobicContact CE-CE3 4.46Å; M134-W178 HydrophobicContact CE-CG 4.24Å; M134-W178 HydrophobicContact CG-CD2 3.65Å; M134-W178 HydrophobicContact CG-CE3 3.53Å; M134-W178 HydrophobicContact CG-CG 4.17Å; M134-W178 HydrophobicContact CG-CH2 4.21Å; M134-W178 HydrophobicContact CG-CZ2 4.38Å; M134-W178 HydrophobicContact CG-CZ3 3.81Å; M134-W178 HydrophobicContact SD-CB 3.92Å; M134-W178 HydrophobicContact SD-CD2 4Å; M134-W178 HydrophobicContact SD-CE3 4.33Å; M134-W178 HydrophobicContact SD-CG 3.86Å; T138-W178 WeakPolarHBondContact OG1-CZ2 3.24Å; L150-W178 HydrophobicContact CD1-CZ2 4.27Å; A174-W178 PolarHBondContact O-N 2.65Å; F175-W178 AromaticContact CD1-CE3 3.97Å; F175-W178 HydrophobicContact CD1-CE3 3.97Å; F175-W178 HydrophobicContact CD1-CZ3 4.32Å; F175-W178 PolarHBondContact O-N 2.87Å; W178-G182 VanDerWaalsContact O-CA 3.31Å; W178-G182 WeakPolarHBondContact O-CA 3.47Å; W178-G182 PolarHBondContact O-N 2.64Å; W178-V183 HydrophobicContact CB-CG2 4.02Å; W178-V183 HydrophobicContact CG-CG2 4.19Å; W178-H232 PolarHBondContact NE1-O 2.66Å; W178-A234 HydrophobicContact CB-CB 4.46Å; W178-A234 HydrophobicContact CD2-CB 3.53Å; W178-A234 HydrophobicContact CE3-CB 3.4Å; W178-A234 VanDerWaalsContact CE3-CB 3.4Å; W178-A234 HydrophobicContact CG-CB 3.97Å; W178-A234 HydrophobicContact CZ3-CB 3.96Å; W178-A234 PolarHBondContact O-N 3.32Å; W178-A295 HydrophobicContact CH2-CB 3.7Å; W178-A295 HydrophobicContact CZ2-CB 3.84Å |
| 179 | W | 83.7 | Confident | 88 | Confident | 93 Ų | 93 | 32.4 Ų | 32.4 | 35% | 0.352 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -71.4 | -46.7 | 173.4 | -179.5 | 76 | 0 | 0 | 0 | 112.8 | F175 L176 Y177 A234 T235 Y237 | F175-W179 PolarHBondContact O-N 3.31Å; L176-W179 HydrophobicContact CD1-CE3 4.04Å; L176-W179 WeakPolarHBondContact O-CB 3.2Å; L176-W179 PolarHBondContact O-N 2.76Å; Y177-W179 VanDerWaalsContact C-N 3.25Å; Y177-W179 PolarHBondContact O-N 3.12Å; W179-A234 HydrophobicContact CB-CB 4.04Å; W179-T235 PolarHBondContact NE1-O 3.04Å; W179-Y237 HydrophobicContact CB-CD1 3.77Å; W179-Y237 HydrophobicContact CB-CE1 4.46Å; W179-Y237 AromaticContact CD2-CD1 3.98Å; W179-Y237 HydrophobicContact CD2-CD1 3.98Å; W179-Y237 AromaticContact CD2-CE1 3.84Å; W179-Y237 HydrophobicContact CD2-CE1 3.84Å; W179-Y237 HydrophobicContact CE3-CD1 4.19Å; W179-Y237 AromaticContact CE3-CE1 3.71Å; W179-Y237 HydrophobicContact CE3-CE1 3.71Å; W179-Y237 AromaticContact CG-CD1 3.77Å; W179-Y237 HydrophobicContact CG-CD1 3.77Å; W179-Y237 HydrophobicContact CG-CE1 4.15Å; W179-Y237 HydrophobicContact CZ3-CE1 4.29Å |
| 180 | L | 70.5 | Confident | 88.1 | Confident | 76 Ų | 76 | 35.1 Ų | 35.1 | 40% | 0.398 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.1 | -45.7 | -176.2 | -75.5 | 174.2 | 0 | 0 | 0 | 113.8 | I161 L176 Y177 | I161-L180 HydrophobicContact CD1-CD1 4.34Å; L176-L180 HydrophobicContact CD1-CD1 3.89Å; L176-L180 HydrophobicContact CD1-CG 4.04Å; L176-L180 HydrophobicContact CG-CD1 3.99Å; L176-L180 WeakPolarHBondContact O-CG 3.25Å; L176-L180 PolarHBondContact O-N 3.5Å; Y177-L180 PolarHBondContact O-N 3.48Å |
| 181 | Y | 80.8 | Confident | 88.4 | Confident | 126 Ų | 126 | 35.2 Ų | 35.2 | 49% | 0.494 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -14.5 | -165.8 | -57.2 | -69.3 | 0 | 0 | 0 | 113.4 | Y177 R231 F233 | Y177-Y181 AromaticContact CD2-CD2 3.36Å; Y177-Y181 HydrophobicContact CD2-CD2 3.36Å; Y177-Y181 AromaticContact CD2-CE2 3.96Å; Y177-Y181 HydrophobicContact CD2-CE2 3.96Å; Y177-Y181 HydrophobicContact CD2-CG 4.3Å; Y177-Y181 AromaticContact CE2-CD2 3.45Å; Y177-Y181 HydrophobicContact CE2-CD2 3.45Å; Y177-Y181 VanDerWaalsContact CE2-CD2 3.45Å; Y177-Y181 HydrophobicContact CE2-CE2 4.12Å; Y177-Y181 HydrophobicContact CE2-CG 4.04Å; Y177-Y181 AromaticContact CG-CD2 3.99Å; Y177-Y181 HydrophobicContact CG-CD2 3.99Å; Y177-Y181 PolarHBondContact O-N 3.44Å; Y181-R231 WeakPolarHBondContact O-CD 3.13Å; Y181-R231 PolarHBondContact O-NH1 3.13Å; Y181-F233 WeakPolarHBondContact O-CE1 3.4Å |
| 182 | G | 89.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | 67.3 | 158.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y177 W178 R231 H232 F233 | Y177-G182 PolarHBondContact O-N 3.05Å; W178-G182 VanDerWaalsContact O-CA 3.31Å; W178-G182 WeakPolarHBondContact O-CA 3.47Å; W178-G182 PolarHBondContact O-N 2.64Å; G182-R231 PolarHBondContact O-NH1 2.92Å; G182-H232 CarbonylContact C-O 3.42Å; G182-H232 WeakPolarHBondContact CA-O 3.34Å; G182-F233 VanDerWaalsContact N-CE1 3.32Å | ||
| 183 | V | 95.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -118.3 | 130.3 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | M134 L150 S151 E154 L155 Y177 W178 H232 | M134-V183 HydrophobicContact SD-CG2 4Å; L150-V183 HydrophobicContact CB-CG1 3.99Å; S151-V183 WeakPolarHBondContact O-CG1 3.35Å; E154-V183 HydrophobicContact CB-CG1 4.44Å; L155-V183 HydrophobicContact CD2-CG2 3.95Å; Y177-V183 HydrophobicContact CD1-CG2 4.21Å; W178-V183 HydrophobicContact CB-CG2 4.02Å; W178-V183 HydrophobicContact CG-CG2 4.19Å; V183-H232 PolarHBondContact N-O 3.17Å; V183-H232 PolarHBondContact O-N 3.26Å |
| 184 | P | 96.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -73.7 | 171.2 | 176.2 | 34.4 | -35.7 | 0 | 0 | 0 | 111.4 | S151 E154 C195 K196 L227 D230 | S151-P184 WeakPolarHBondContact CB-O 3.49Å; S151-P184 PolarHBondContact N-O 2.91Å; E154-P184 HydrophobicContact CB-CG 4Å; E154-P184 HydrophobicContact CG-CG 4.17Å; P184-C195 HydrophobicContact CB-CB 4.15Å; P184-K196 HydrophobicContact CG-CB 4.35Å; P184-K196 HydrophobicContact CG-CD 4.05Å; P184-K196 HydrophobicContact CG-CG 4.26Å; P184-L227 HydrophobicContact CB-CD1 3.75Å; P184-L227 HydrophobicContact CG-CD1 3.77Å; P184-D230 WeakPolarHBondContact CA-O 3.34Å | ||
| 185 | T | 97.1 | Very high | 89.4 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 144.1 | 170.9 | 61.7 | 0 | 0 | 0 | 0 | 111 | V148 F149 C195 K196 Y223 D230 | V148-T185 HydrophobicContact CB-CG2 4.02Å; V148-T185 HydrophobicContact CG1-CG2 4.39Å; V148-T185 HydrophobicContact CG2-CG2 4.03Å; F149-T185 CarbonylContact O-C 3.55Å; F149-T185 VanDerWaalsContact O-CA 3.22Å; F149-T185 WeakPolarHBondContact O-CA 3.34Å; T185-C195 PolarHBondContact O-N 3.5Å; T185-C195 PolarHBondContact OG1-N 3.38Å; T185-K196 PolarHBondContact O-N 3.14Å; T185-Y223 PolarHBondContact OG1-OH 3.24Å; T185-D230 WeakPolarHBondContact CB-OD2 3.34Å; T185-D230 WeakPolarHBondContact CG2-OD1 3.5Å; T185-D230 PolarHBondContact N-OD2 2.83Å; T185-D230 PolarHBondContact OG1-OD1 3.31Å; T185-D230 PolarHBondContact OG1-OD2 2.89Å |
| 186 | G | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -141.6 | 175 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F149 T194 K196 | F149-G186 WeakPolarHBondContact CB-O 3.28Å; F149-G186 PolarHBondContact O-N 2.85Å; F149-G186 VanDerWaalsContact O-O 3.11Å; G186-T194 VanDerWaalsContact C-OG1 3.25Å; G186-T194 WeakPolarHBondContact O-CG2 3.47Å; G186-K196 WeakPolarHBondContact CA-O 3.36Å | ||
| 187 | G | 91.9 | Very high | 90.3 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | trans | -165.4 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T194 P197 Y198 | G187-T194 PolarHBondContact N-OG1 2.81Å; G187-P197 CarbonylContact O-C 3.57Å; G187-P197 WeakPolarHBondContact O-CA 3.46Å; G187-Y198 PolarHBondContact O-N 3.47Å | ||
| 188 | S | 92.5 | Very high | 91 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 49% | 0.49 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -60.2 | 158.8 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | G190 S191 | S188-G190 PolarHBondContact O-N 3.06Å; S188-S191 VanDerWaalsContact O-CB 3.26Å; S188-S191 WeakPolarHBondContact O-CB 3.21Å; S188-S191 PolarHBondContact O-N 3.33Å |
| 189 | Y | 91.8 | Very high | 91.1 | Very high | 130 Ų | 130 | 44.8 Ų | 44.8 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 129.6 | 173.5 | 177.5 | -92.5 | 0 | 0 | 0 | 112.6 | Y198 S199 A201 | Y189-Y198 WeakPolarHBondContact CA-O 3.25Å; Y189-S199 WeakPolarHBondContact CD2-O 3.23Å; Y189-S199 VanDerWaalsContact CE2-O 3.32Å; Y189-S199 WeakPolarHBondContact CE2-O 3.44Å; Y189-A201 HydrophobicContact CD1-CB 4.11Å; Y189-A201 HydrophobicContact CD2-CB 4.05Å; Y189-A201 HydrophobicContact CE1-CB 3.88Å; Y189-A201 HydrophobicContact CE2-CB 3.82Å; Y189-A201 HydrophobicContact CG-CB 4.19Å |
| 190 | G | 87.4 | Confident | 91.5 | Very high | 59 Ų | 59 | 41 Ų | 41 | 61% | 0.608 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -1.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | S188 | S188-G190 PolarHBondContact O-N 3.06Š|
| 191 | S | 89.9 | Confident | 92.4 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | trans | -69.7 | 136.9 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | S188 D193 P197 | S188-S191 VanDerWaalsContact O-CB 3.26Å; S188-S191 WeakPolarHBondContact O-CB 3.21Å; S188-S191 PolarHBondContact O-N 3.33Å; S191-D193 PolarHBondContact OG-N 3.01Å; S191-P197 WeakPolarHBondContact O-CB 3.41Å; S191-P197 VanDerWaalsContact O-CG 3.24Å; S191-P197 WeakPolarHBondContact O-CG 3.27Å | ||
| 192 | N | 88.1 | Confident | 92.7 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 53% | 0.529 | 23% | 0.229 | S | C | . | . | trans | -110.4 | 3.4 | 171.6 | -68.3 | -31.2 | 0 | 0 | 0 | 112.6 | T194 | N192-T194 VanDerWaalsContact C-N 3.31Š| ||
| 193 | D | 89.5 | Confident | 92.2 | Very high | 142 Ų | 142 | 39 Ų | 39 | 76% | 0.759 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -90.4 | 3.3 | -174 | -54.3 | -44.7 | 0 | 0 | 0 | 112.7 | S191 Y223 | S191-D193 PolarHBondContact OG-N 3.01Å; D193-Y223 WeakPolarHBondContact O-CE2 3.36Å |
| 194 | T | 94.4 | Very high | 91 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -136.2 | 155.2 | -177 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | G186 G187 N192 V220 Y223 | G186-T194 VanDerWaalsContact C-OG1 3.25Å; G186-T194 WeakPolarHBondContact O-CG2 3.47Å; G187-T194 PolarHBondContact N-OG1 2.81Å; N192-T194 VanDerWaalsContact C-N 3.31Å; T194-V220 VanDerWaalsContact O-CG2 3.29Å; T194-V220 WeakPolarHBondContact O-CG2 3.39Å; T194-Y223 VanDerWaalsContact C-CD2 3.43Å; T194-Y223 VanDerWaalsContact C-CE2 3.5Å; T194-Y223 VanDerWaalsContact CA-CE2 3.45Å |
| 195 | C | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -65.2 | -44.3 | -173.3 | 173.5 | 0 | 0 | 0 | 0 | 112.7 | P184 T185 C219 V220 Y223 L227 D230 | P184-C195 HydrophobicContact CB-CB 4.15Å; T185-C195 PolarHBondContact O-N 3.5Å; T185-C195 PolarHBondContact OG1-N 3.38Å; C195-C219 HydrophobicContact CB-CB 3.83Å; C195-C219 WeakPolarHBondContact CB-SG 3.39Å; C195-C219 CarbonylContact O-C 3.47Å; C195-C219 VanDerWaalsContact O-CA 3.23Å; C195-C219 WeakPolarHBondContact O-CA 2.72Å; C195-C219 WeakPolarHBondContact O-CB 3.3Å; C195-C219 VanDerWaalsContact SG-CA 3.53Å; C195-C219 WeakPolarHBondContact SG-CB 3.35Å; C195-C219 CovalentContact SG-SG 2.03Å; C195-C219 PolarHBondContact SG-SG 2.87Å; C195-V220 PolarHBondContact O-N 3.1Å; C195-Y223 HydrophobicContact CB-CD1 3.78Å; C195-Y223 HydrophobicContact CB-CE1 3.65Å; C195-Y223 HydrophobicContact CB-CG 4.39Å; C195-L227 VanDerWaalsContact SG-CD1 3.53Å; C195-D230 HydrophobicContact CB-CB 4.36Å; C195-D230 WeakPolarHBondContact CB-OD2 3.14Å |
| 196 | K | 96.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -133.9 | 77.6 | -176.6 | -73.7 | -163.6 | 169.3 | -163.3 | 0 | 111.9 | S151 E154 C158 P184 T185 G186 T216 L227 | S151-K196 WeakPolarHBondContact CB-O 3.17Å; S151-K196 WeakPolarHBondContact OG-CB 3.34Å; S151-K196 PolarHBondContact OG-O 3.3Å; E154-K196 HydrophobicContact CB-CD 4.19Å; E154-K196 WeakPolarHBondContact OE2-CD 3.48Å; E154-K196 WeakPolarHBondContact OE2-CE 3.37Å; E154-K196 IonicContact OE2-NZ 2.88Å; E154-K196 PolarHBondContact OE2-NZ 3.03Å; C158-K196 PolarHBondContact SG-NZ 3.5Å; P184-K196 HydrophobicContact CG-CB 4.35Å; P184-K196 HydrophobicContact CG-CD 4.05Å; P184-K196 HydrophobicContact CG-CG 4.26Å; T185-K196 PolarHBondContact O-N 3.14Å; G186-K196 WeakPolarHBondContact CA-O 3.36Å; K196-T216 WeakPolarHBondContact CE-OG1 3.06Å; K196-T216 PolarHBondContact NZ-O 3.07Å; K196-T216 PolarHBondContact NZ-OG1 3.09Å; K196-L227 HydrophobicContact CD-CD1 4.44Å |
| 197 | P | 95.6 | Very high | 86.9 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | trans | -63.5 | 155.7 | 172.5 | 32.5 | -40.4 | 0 | 0 | 0 | 111.7 | G187 S191 S199 V220 | G187-P197 CarbonylContact O-C 3.57Å; G187-P197 WeakPolarHBondContact O-CA 3.46Å; S191-P197 WeakPolarHBondContact O-CB 3.41Å; S191-P197 VanDerWaalsContact O-CG 3.24Å; S191-P197 WeakPolarHBondContact O-CG 3.27Å; P197-S199 PolarHBondContact O-N 3.01Å; P197-V220 HydrophobicContact CG-CG1 3.73Å; P197-V220 HydrophobicContact CG-CG2 4.35Å | ||
| 198 | Y | 95.3 | Very high | 85.9 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | trans | -63.2 | 125.4 | 177.7 | -164.3 | -130.8 | 0 | 0 | 0 | 110.9 | D118 Q119 S124 E152 I156 G187 Y189 I200 | D118-Y198 WeakPolarHBondContact O-CE1 3.43Å; Q119-Y198 PolarHBondContact O-OH 3.15Å; S124-Y198 PolarHBondContact OG-OH 2.65Å; E152-Y198 HydrophobicContact CG-CD2 3.53Å; E152-Y198 HydrophobicContact CG-CE2 4Å; E152-Y198 HydrophobicContact CG-CG 4.17Å; I156-Y198 HydrophobicContact CD1-CD2 4.34Å; I156-Y198 HydrophobicContact CD1-CE2 3.52Å; G187-Y198 PolarHBondContact O-N 3.47Å; Y189-Y198 WeakPolarHBondContact CA-O 3.25Å; Y198-I200 HydrophobicContact CD1-CB 4.27Å; Y198-I200 WeakPolarHBondContact CD1-O 3.07Å; Y198-I200 HydrophobicContact CE1-CB 3.76Å; Y198-I200 HydrophobicContact CE1-CG1 4.47Å; Y198-I200 HydrophobicContact CE2-CD1 4.36Å; Y198-I200 HydrophobicContact CE2-CG1 4.43Å | ||
| 199 | S | 93.4 | Very high | 85.2 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | trans | -85.5 | -11.7 | -173.6 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | E153 Y189 P197 P213 | E153-S199 VanDerWaalsContact CD-OG 3.25Å; E153-S199 PolarHBondContact OE1-OG 2.81Å; E153-S199 VanDerWaalsContact OE2-CB 3.3Å; E153-S199 WeakPolarHBondContact OE2-CB 3.46Å; E153-S199 PolarHBondContact OE2-N 3.19Å; E153-S199 PolarHBondContact OE2-OG 3.46Å; Y189-S199 WeakPolarHBondContact CD2-O 3.23Å; Y189-S199 VanDerWaalsContact CE2-O 3.32Å; Y189-S199 WeakPolarHBondContact CE2-O 3.44Å; P197-S199 PolarHBondContact O-N 3.01Å; S199-P213 WeakPolarHBondContact OG-CB 3.33Å; S199-P213 WeakPolarHBondContact OG-CG 3.19Å | ||
| 200 | I | 92.8 | Very high | 84.8 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -96.1 | 117 | -174.8 | -50.4 | -179.8 | 0 | 0 | 0 | 109.8 | C122 Y198 S210 P213 | C122-I200 HydrophobicContact CB-CD1 3.51Å; Y198-I200 HydrophobicContact CD1-CB 4.27Å; Y198-I200 WeakPolarHBondContact CD1-O 3.07Å; Y198-I200 HydrophobicContact CE1-CB 3.76Å; Y198-I200 HydrophobicContact CE1-CG1 4.47Å; Y198-I200 HydrophobicContact CE2-CD1 4.36Å; Y198-I200 HydrophobicContact CE2-CG1 4.43Å; I200-S210 WeakPolarHBondContact CG2-OG 3.26Å; I200-P213 HydrophobicContact CD1-CG 4.15Å; I200-P213 HydrophobicContact CG1-CG 4.14Å |
| 201 | A | 88.8 | Confident | 84.8 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -66 | 138.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S120 Y189 C203 | S120-A201 WeakPolarHBondContact CB-O 3.38Å; S120-A201 PolarHBondContact OG-O 3.13Å; Y189-A201 HydrophobicContact CD1-CB 4.11Å; Y189-A201 HydrophobicContact CD2-CB 4.05Å; Y189-A201 HydrophobicContact CE1-CB 3.88Å; Y189-A201 HydrophobicContact CE2-CB 3.82Å; Y189-A201 HydrophobicContact CG-CB 4.19Å; A201-C203 PolarHBondContact O-N 3.25Å |
| 202 | P | 86.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 67.5 Ų | 67.5 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 136.3 | 169.8 | -26.6 | 35.1 | 0 | 0 | 0 | 111.8 | D118 | D118-P202 WeakPolarHBondContact OD2-CB 3.39Š|
| 203 | C | 80.6 | Confident | 85.1 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 25% | 0.25 | 36% | 0.356 | C | S | . | . | trans | -144.7 | 136.7 | 178.6 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | S120 A201 C206 | S120-C203 PolarHBondContact OG-SG 2.89Å; A201-C203 PolarHBondContact O-N 3.25Å; C203-C206 HydrophobicContact CB-CB 4.04Å; C203-C206 WeakPolarHBondContact CB-SG 3.39Å; C203-C206 PolarHBondContact O-SG 2.97Å; C203-C206 WeakPolarHBondContact SG-CB 3.5Å; C203-C206 CovalentContact SG-SG 2.02Å; C203-C206 PolarHBondContact SG-SG 2.91Å | ||
| 204 | K | 70.3 | Confident | 85.2 | Confident | 155 Ų | 155 | 65.8 Ų | 65.8 | 67% | 0.674 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -81.7 | -48.9 | 172.9 | -66.1 | -171.8 | 178.8 | -171.2 | 0 | 111.4 | ||
| 205 | I | 66.6 | Low | 85.1 | Confident | 147 Ų | 147 | 67.7 Ų | 67.7 | 75% | 0.754 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -119.7 | 107.2 | 172.6 | -56.8 | 172.2 | 0 | 0 | 0 | 106.8 | ||
| 206 | C | 69.9 | Low | 84.8 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | trans | -101.6 | 137.1 | -175.9 | -39.8 | 0 | 0 | 0 | 0 | 108.7 | N121 C203 G208 | N121-C206 HydrophobicContact CB-CB 3.64Å; N121-C206 VanDerWaalsContact CB-SG 3.58Å; N121-C206 VanDerWaalsContact CG-CB 3.42Å; N121-C206 WeakPolarHBondContact ND2-CB 3.21Å; C203-C206 HydrophobicContact CB-CB 4.04Å; C203-C206 WeakPolarHBondContact CB-SG 3.39Å; C203-C206 PolarHBondContact O-SG 2.97Å; C203-C206 WeakPolarHBondContact SG-CB 3.5Å; C203-C206 CovalentContact SG-SG 2.02Å; C203-C206 PolarHBondContact SG-SG 2.91Å; C206-G208 PolarHBondContact O-N 2.99Å; C206-G208 VanDerWaalsContact O-N 3.08Å | ||
| 207 | K | 67.3 | Low | 84.4 | Confident | 220 Ų | 220 | 79.9 Ų | 79.9 | 96% | 0.957 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -81.8 | 82.5 | 175.1 | -70.4 | -172.9 | -179.6 | -178.4 | 0 | 109.8 | ||
| 208 | G | 71 | Confident | 84.2 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 38% | 0.381 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 74.3 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N121 C206 | N121-G208 PolarHBondContact ND2-O 2.83Å; C206-G208 PolarHBondContact O-N 2.99Å; C206-G208 VanDerWaalsContact O-N 3.08Å |
| 209 | N | 77 | Confident | 84.1 | Confident | 76 Ų | 76 | 87 Ų | 87 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 149.2 | -176.3 | -60.1 | -13.3 | 0 | 0 | 0 | 111.8 | N64 | N64-N209 WeakPolarHBondContact CB-OD1 3.48Å; N64-N209 PolarHBondContact ND2-ND2 2.71Å; N64-N209 PolarHBondContact ND2-OD1 2.62Å; N64-N209 VanDerWaalsContact ND2-OD1 3.09Å |
| 210 | S | 84.3 | Confident | 84.1 | Confident | 37 Ų | 37 | 86.6 Ų | 86.6 | 26% | 0.259 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 139.4 | 171.1 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | N121 C166 I200 | N121-S210 PolarHBondContact O-N 2.62Å; C166-S210 WeakPolarHBondContact CB-O 3.17Å; I200-S210 WeakPolarHBondContact CG2-OG 3.26Å |
| 211 | D | 87.3 | Confident | 83.7 | Confident | 150 Ų | 150 | 92.3 Ų | 92.3 | 80% | 0.802 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 150 | 171 | -66.9 | -36.4 | 0 | 0 | 0 | 111.1 | P213 | D211-P213 VanDerWaalsContact O-CD 3.32Å; D211-P213 WeakPolarHBondContact O-CD 3.46Å |
| 212 | T | 92.1 | Very high | 83.3 | Confident | 54 Ų | 54 | 97.9 Ų | 97.9 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 122 | 172 | -64.5 | 0 | 0 | 0 | 0 | 110.7 | I156 M164 C166 | I156-T212 HydrophobicContact CG2-CG2 4.21Å; M164-T212 PolarHBondContact O-OG1 3.19Å; C166-T212 PolarHBondContact N-OG1 3.48Å |
| 213 | P | 92 | Very high | 83.6 | Confident | 21 Ų | 21 | 96.1 Ų | 96.1 | 14% | 0.136 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 151.3 | 176 | -25.5 | 35 | 0 | 0 | 0 | 113.2 | E153 S157 S199 I200 D211 | E153-P213 WeakPolarHBondContact OE1-CB 3.45Å; S157-P213 VanDerWaalsContact CB-O 3.23Å; S157-P213 WeakPolarHBondContact CB-O 3.42Å; S199-P213 WeakPolarHBondContact OG-CB 3.33Å; S199-P213 WeakPolarHBondContact OG-CG 3.19Å; I200-P213 HydrophobicContact CD1-CG 4.15Å; I200-P213 HydrophobicContact CG1-CG 4.14Å; D211-P213 VanDerWaalsContact O-CD 3.32Å; D211-P213 WeakPolarHBondContact O-CD 3.46Å |
| 214 | K | 90.8 | Very high | 83.8 | Confident | 184 Ų | 184 | 100.4 Ų | 100.4 | 80% | 0.8 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 133.8 | 179.7 | -66.7 | -178.2 | -178 | 175.5 | 0 | 111.2 | T216 | K214-T216 PolarHBondContact O-N 3.11Š|
| 215 | C | 92.9 | Very high | 84.5 | Confident | 60 Ų | 60 | 94.5 Ų | 94.5 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 120.8 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | S157 C158 | S157-C215 VanDerWaalsContact O-CB 3.27Å; S157-C215 WeakPolarHBondContact O-CB 3.36Å; C158-C215 VanDerWaalsContact CA-SG 3.55Å; C158-C215 HydrophobicContact CB-CB 3.96Å; C158-C215 WeakPolarHBondContact CB-SG 3.38Å; C158-C215 WeakPolarHBondContact SG-CA 3.3Å; C158-C215 WeakPolarHBondContact SG-CB 3.16Å; C158-C215 CovalentContact SG-SG 2.04Å; C158-C215 PolarHBondContact SG-SG 3.32Å |
| 216 | T | 89.8 | Confident | 85.5 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -102.1 | 151.1 | 171.6 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | K196 K214 E218 | K196-T216 WeakPolarHBondContact CE-OG1 3.06Å; K196-T216 PolarHBondContact NZ-O 3.07Å; K196-T216 PolarHBondContact NZ-OG1 3.09Å; K214-T216 PolarHBondContact O-N 3.11Å; T216-E218 PolarHBondContact OG1-O 2.89Å |
| 217 | K | 88.2 | Confident | 86.4 | Confident | 185 Ų | 185 | 92 Ų | 92 | 80% | 0.804 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -101.7 | 8.1 | 178.6 | -68.4 | -173.7 | 178.7 | 179.3 | 0 | 113.8 | L227 | K217-L227 VanDerWaalsContact C-CD2 3.46Å; K217-L227 VanDerWaalsContact O-CD2 3.23Å; K217-L227 WeakPolarHBondContact O-CD2 3.47Å |
| 218 | E | 90.4 | Very high | 87.2 | Confident | 150 Ų | 150 | 90.6 Ų | 90.6 | 70% | 0.701 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -133.1 | 154.4 | -174.8 | -66.9 | 174 | -175.7 | 0 | 0 | 108.8 | T216 | T216-E218 PolarHBondContact OG1-O 2.89Š|
| 219 | C | 94.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 95.5 Ų | 95.5 | 14% | 0.142 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 165.5 | 170.3 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | C195 Y223 A225 | C195-C219 HydrophobicContact CB-CB 3.83Å; C195-C219 WeakPolarHBondContact CB-SG 3.39Å; C195-C219 CarbonylContact O-C 3.47Å; C195-C219 VanDerWaalsContact O-CA 3.23Å; C195-C219 WeakPolarHBondContact O-CA 2.72Å; C195-C219 WeakPolarHBondContact O-CB 3.3Å; C195-C219 VanDerWaalsContact SG-CA 3.53Å; C195-C219 WeakPolarHBondContact SG-CB 3.35Å; C195-C219 CovalentContact SG-SG 2.03Å; C195-C219 PolarHBondContact SG-SG 2.87Å; C219-Y223 HydrophobicContact CB-CD1 3.89Å; C219-Y223 HydrophobicContact CB-CG 4.23Å; C219-A225 PolarHBondContact SG-O 3.36Å |
| 220 | V | 92.4 | Very high | 88.7 | Confident | 48 Ų | 48 | 92.5 Ų | 92.5 | 29% | 0.291 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 149.1 | 170.1 | -67.9 | 0 | 0 | 0 | 0 | 111.2 | T194 C195 P197 N222 Y223 | T194-V220 VanDerWaalsContact O-CG2 3.29Å; T194-V220 WeakPolarHBondContact O-CG2 3.39Å; C195-V220 PolarHBondContact O-N 3.1Å; P197-V220 HydrophobicContact CG-CG1 3.73Å; P197-V220 HydrophobicContact CG-CG2 4.35Å; V220-N222 PolarHBondContact O-N 2.95Å; V220-Y223 WeakPolarHBondContact O-CB 3.34Å; V220-Y223 PolarHBondContact O-N 2.78Å |
| 221 | N | 84.4 | Confident | 89.1 | Confident | 134 Ų | 134 | 92.6 Ų | 92.6 | 72% | 0.717 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 138.2 | -178.4 | -67.1 | -26.1 | 0 | 0 | 0 | 110.6 | ||
| 222 | N | 81.6 | Confident | 89.3 | Confident | 159 Ų | 159 | 86.7 Ų | 86.7 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 0.9 | -176.8 | -47.5 | -41 | 0 | 0 | 0 | 116.7 | V220 | V220-N222 PolarHBondContact O-N 2.95Š|
| 223 | Y | 92 | Very high | 89.1 | Confident | 44 Ų | 44 | 87.5 Ų | 87.5 | 17% | 0.173 | 44% | 0.442 | C | S | . | . | trans | -71 | 130.7 | 170.7 | -168.2 | -106.5 | 0 | 0 | 0 | 110.8 | T185 D193 T194 C195 C219 V220 A225 D230 | T185-Y223 PolarHBondContact OG1-OH 3.24Å; D193-Y223 WeakPolarHBondContact O-CE2 3.36Å; T194-Y223 VanDerWaalsContact C-CD2 3.43Å; T194-Y223 VanDerWaalsContact C-CE2 3.5Å; T194-Y223 VanDerWaalsContact CA-CE2 3.45Å; C195-Y223 HydrophobicContact CB-CD1 3.78Å; C195-Y223 HydrophobicContact CB-CE1 3.65Å; C195-Y223 HydrophobicContact CB-CG 4.39Å; C219-Y223 HydrophobicContact CB-CD1 3.89Å; C219-Y223 HydrophobicContact CB-CG 4.23Å; V220-Y223 WeakPolarHBondContact O-CB 3.34Å; V220-Y223 PolarHBondContact O-N 2.78Å; Y223-A225 HydrophobicContact CD1-CB 4.35Å; Y223-A225 WeakPolarHBondContact CD1-O 3.12Å; Y223-A225 HydrophobicContact CE1-CB 3.87Å; Y223-A225 PolarHBondContact O-N 2.95Å; Y223-D230 HydrophobicContact CE1-CB 4.18Å; Y223-D230 PolarHBondContact OH-OD1 2.94Å | ||
| 224 | P | 86 | Confident | 88.8 | Confident | 127 Ų | 127 | 86.8 Ų | 86.8 | 83% | 0.825 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -73.2 | -20.5 | -167.1 | 26.7 | -35.6 | 0 | 0 | 0 | 115.1 | ||
| 225 | A | 85.5 | Confident | 87.9 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -109.8 | 145.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | C219 Y223 | C219-A225 PolarHBondContact SG-O 3.36Å; Y223-A225 HydrophobicContact CD1-CB 4.35Å; Y223-A225 WeakPolarHBondContact CD1-O 3.12Å; Y223-A225 HydrophobicContact CE1-CB 3.87Å; Y223-A225 PolarHBondContact O-N 2.95Å |
| 226 | D | 86.8 | Confident | 87 | Confident | 101 Ų | 101 | 77 Ų | 77 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | trans | -66.4 | 146 | 170.8 | -57.4 | -57.9 | 0 | 0 | 0 | 110.9 | K228 K229 D230 | D226-K228 PolarHBondContact O-N 3.12Å; D226-K229 PolarHBondContact O-N 3.08Å; D226-K229 IonicContact OD2-NZ 3.44Å; D226-K229 PolarHBondContact OD2-NZ 3.49Å; D226-D230 PolarHBondContact O-N 2.82Å | ||
| 227 | L | 88.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -32.8 | 177.3 | 178.2 | 64.3 | 0 | 0 | 0 | 113.7 | P184 C195 K196 K217 R231 | P184-L227 HydrophobicContact CB-CD1 3.75Å; P184-L227 HydrophobicContact CG-CD1 3.77Å; C195-L227 VanDerWaalsContact SG-CD1 3.53Å; K196-L227 HydrophobicContact CD-CD1 4.44Å; K217-L227 VanDerWaalsContact C-CD2 3.46Å; K217-L227 VanDerWaalsContact O-CD2 3.23Å; K217-L227 WeakPolarHBondContact O-CD2 3.47Å; L227-R231 WeakPolarHBondContact O-CG 3.32Å |
| 228 | K | 83.9 | Confident | 86 | Confident | 190 Ų | 190 | 66.8 Ų | 66.8 | 83% | 0.826 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -34.8 | 177.8 | -70.5 | -178.5 | -178.7 | 174.9 | 0 | 113.2 | D226 | D226-K228 PolarHBondContact O-N 3.12Š|
| 229 | K | 86.3 | Confident | 85.5 | Confident | 139 Ų | 139 | 59.9 Ų | 59.9 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -29.2 | -177.4 | -68.8 | 176.4 | -179.5 | 159.4 | 0 | 111.9 | D226 R231 K298 | D226-K229 PolarHBondContact O-N 3.08Å; D226-K229 IonicContact OD2-NZ 3.44Å; D226-K229 PolarHBondContact OD2-NZ 3.49Å; K229-R231 VanDerWaalsContact C-N 3.32Å; K229-K298 PolarHBondContact O-NZ 3.43Å |
| 230 | D | 93.3 | Very high | 84.7 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -82.6 | -2.4 | -179 | -165.3 | 52.7 | 0 | 0 | 0 | 114.4 | P184 T185 C195 Y223 D226 H232 | P184-D230 WeakPolarHBondContact CA-O 3.34Å; T185-D230 WeakPolarHBondContact CB-OD2 3.34Å; T185-D230 WeakPolarHBondContact CG2-OD1 3.5Å; T185-D230 PolarHBondContact N-OD2 2.83Å; T185-D230 PolarHBondContact OG1-OD1 3.31Å; T185-D230 PolarHBondContact OG1-OD2 2.89Å; C195-D230 HydrophobicContact CB-CB 4.36Å; C195-D230 WeakPolarHBondContact CB-OD2 3.14Å; Y223-D230 HydrophobicContact CE1-CB 4.18Å; Y223-D230 PolarHBondContact OH-OD1 2.94Å; D226-D230 PolarHBondContact O-N 2.82Å; D230-H232 PolarHBondContact O-CD2 3.49Å; D230-H232 PolarHBondContact O-N 3.11Å; D230-H232 PolarHBondContact O-NE2 3.26Å |
| 231 | R | 91.9 | Very high | 83.4 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | trans | -73.9 | 129.3 | 179.3 | -79.5 | 167 | -174.7 | -75.8 | -5.2 | 112.2 | E154 Y181 G182 L227 K229 F233 | E154-R231 IonicContact OE1-CZ 2.64Å; E154-R231 VanDerWaalsContact OE1-CZ 3.32Å; E154-R231 IonicContact OE1-NH1 3.54Å; E154-R231 PolarHBondContact OE1-NH1 3.21Å; E154-R231 IonicContact OE1-NH2 2.66Å; E154-R231 PolarHBondContact OE1-NH2 3.4Å; E154-R231 IonicContact OE2-NH2 3.74Å; Y181-R231 WeakPolarHBondContact O-CD 3.13Å; Y181-R231 PolarHBondContact O-NH1 3.13Å; G182-R231 PolarHBondContact O-NH1 2.92Å; L227-R231 WeakPolarHBondContact O-CG 3.32Å; K229-R231 VanDerWaalsContact C-N 3.32Å; R231-F233 HydrophobicContact CB-CD2 4.47Å; R231-F233 HydrophobicContact CB-CE2 3.67Å; R231-F233 HydrophobicContact CB-CZ 4.03Å | ||
| 232 | H | 92.5 | Very high | 82 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 12% | 0.12 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 137.8 | 170.9 | -61.7 | -100.3 | 0 | 0 | 0 | 109.2 | L150 W178 G182 V183 D230 | L150-H232 HydrophobicContact CD1-CB 4.23Å; L150-H232 HydrophobicContact CD2-CB 3.74Å; W178-H232 PolarHBondContact NE1-O 2.66Å; G182-H232 CarbonylContact C-O 3.42Å; G182-H232 WeakPolarHBondContact CA-O 3.34Å; V183-H232 PolarHBondContact N-O 3.17Å; V183-H232 PolarHBondContact O-N 3.26Å; D230-H232 PolarHBondContact O-CD2 3.49Å; D230-H232 PolarHBondContact O-N 3.11Å; D230-H232 PolarHBondContact O-NE2 3.26Å |
| 233 | F | 88.5 | Confident | 81.2 | Confident | 71 Ų | 71 | 52 Ų | 52 | 31% | 0.311 | 26% | 0.263 | S | S | . | . | trans | -117.2 | 153.4 | -170.9 | -69.6 | -98.6 | 0 | 0 | 0 | 111.5 | Y181 G182 R231 K296 | Y181-F233 WeakPolarHBondContact O-CE1 3.4Å; G182-F233 VanDerWaalsContact N-CE1 3.32Å; R231-F233 HydrophobicContact CB-CD2 4.47Å; R231-F233 HydrophobicContact CB-CE2 3.67Å; R231-F233 HydrophobicContact CB-CZ 4.03Å; F233-K296 HydrophobicContact CB-CB 4.33Å; F233-K296 HydrophobicContact CB-CD 4.08Å; F233-K296 WeakPolarHBondContact O-CB 3.29Å; F233-K296 PolarHBondContact O-N 3.3Å | ||
| 234 | A | 83.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 155 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W178 W179 T236 R294 | W178-A234 HydrophobicContact CB-CB 4.46Å; W178-A234 HydrophobicContact CD2-CB 3.53Å; W178-A234 HydrophobicContact CE3-CB 3.4Å; W178-A234 VanDerWaalsContact CE3-CB 3.4Å; W178-A234 HydrophobicContact CG-CB 3.97Å; W178-A234 HydrophobicContact CZ3-CB 3.96Å; W178-A234 PolarHBondContact O-N 3.32Å; W179-A234 HydrophobicContact CB-CB 4.04Å; A234-T236 WeakPolarHBondContact CB-O 3.28Å; A234-R294 CarbonylContact C-O 3.59Å; A234-R294 WeakPolarHBondContact CA-O 3.09Å; A234-R294 WeakPolarHBondContact CB-O 3.48Å |
| 235 | T | 73.9 | Confident | 79.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -26.8 | 159 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | W179 R294 K296 | W179-T235 PolarHBondContact NE1-O 3.04Å; T235-R294 PolarHBondContact N-O 2.7Å; T235-R294 WeakPolarHBondContact OG1-CB 3.22Å; T235-R294 PolarHBondContact OG1-O 3.46Å; T235-K296 HydrophobicContact CG2-CB 3.74Å; T235-K296 HydrophobicContact CG2-CG 3.95Å |
| 236 | T | 73.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 168.2 | -176.9 | -162.4 | 0 | 0 | 0 | 0 | 113.4 | Y87 A234 Y238 G293 R294 I538 | Y87-T236 HydrophobicContact CD2-CG2 4.44Å; Y87-T236 HydrophobicContact CE1-CG2 4.4Å; Y87-T236 WeakPolarHBondContact CE1-OG1 3.27Å; Y87-T236 HydrophobicContact CE2-CG2 4.3Å; Y87-T236 PolarHBondContact OH-OG1 2.77Å; A234-T236 WeakPolarHBondContact CB-O 3.28Å; T236-Y238 HydrophobicContact CG2-CD1 4Å; T236-Y238 HydrophobicContact CG2-CE1 3.82Å; T236-G293 CarbonylContact O-C 3.45Å; T236-G293 WeakPolarHBondContact O-CA 3.19Å; T236-R294 HydrophobicContact CG2-CB 3.89Å; T236-R294 HydrophobicContact CG2-CG 3.79Å; T236-R294 PolarHBondContact O-N 3.25Å; T236-R294 VanDerWaalsContact O-N 3.11Å; T236-I538 VanDerWaalsContact CB-CG2 3.48Å; T236-I538 HydrophobicContact CG2-CG2 3.79Å |
| 237 | Y | 80 | Confident | 79.4 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 18% | 0.18 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 137.6 | -176.9 | 65.7 | -81.9 | 0 | 0 | 0 | 111.3 | F81 P82 Y87 L176 W179 A292 | F81-Y237 AromaticContact CD1-CD2 3.83Å; F81-Y237 HydrophobicContact CD1-CD2 3.83Å; F81-Y237 AromaticContact CD1-CE2 3.83Å; F81-Y237 HydrophobicContact CD1-CE2 3.83Å; F81-Y237 HydrophobicContact CE1-CD2 4.24Å; F81-Y237 HydrophobicContact CE1-CE2 4.22Å; P82-Y237 VanDerWaalsContact CG-O 3.27Å; P82-Y237 WeakPolarHBondContact CG-O 3.34Å; Y87-Y237 PolarHBondContact OH-O 3.3Å; L176-Y237 HydrophobicContact CB-CD2 3.94Å; L176-Y237 HydrophobicContact CB-CE2 4.12Å; L176-Y237 HydrophobicContact CB-CG 4.3Å; L176-Y237 HydrophobicContact CD1-CD1 4.23Å; L176-Y237 HydrophobicContact CD1-CD2 4.27Å; L176-Y237 HydrophobicContact CD1-CE1 3.7Å; L176-Y237 HydrophobicContact CD1-CE2 3.76Å; L176-Y237 VanDerWaalsContact CD1-CZ 3.45Å; L176-Y237 HydrophobicContact CG-CE2 4.41Å; W179-Y237 HydrophobicContact CB-CD1 3.77Å; W179-Y237 HydrophobicContact CB-CE1 4.46Å; W179-Y237 AromaticContact CD2-CD1 3.98Å; W179-Y237 HydrophobicContact CD2-CD1 3.98Å; W179-Y237 AromaticContact CD2-CE1 3.84Å; W179-Y237 HydrophobicContact CD2-CE1 3.84Å; W179-Y237 HydrophobicContact CE3-CD1 4.19Å; W179-Y237 AromaticContact CE3-CE1 3.71Å; W179-Y237 HydrophobicContact CE3-CE1 3.71Å; W179-Y237 AromaticContact CG-CD1 3.77Å; W179-Y237 HydrophobicContact CG-CD1 3.77Å; W179-Y237 HydrophobicContact CG-CE1 4.15Å; W179-Y237 HydrophobicContact CZ3-CE1 4.29Å; Y237-A292 CarbonylContact C-O 3.56Å |
| 238 | Y | 76.7 | Confident | 79.2 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 163.9 | -172.5 | 45 | -90.7 | 0 | 0 | 0 | 114.6 | P82 P84 Y87 R137 T236 F240 D250 S291 A292 R294 | P82-Y238 VanDerWaalsContact O-CA 3.25Å; P82-Y238 WeakPolarHBondContact O-CA 3.33Å; P82-Y238 WeakPolarHBondContact O-CB 3.41Å; P84-Y238 HydrophobicContact CB-CD2 3.74Å; P84-Y238 HydrophobicContact CB-CE2 3.67Å; P84-Y238 HydrophobicContact CB-CG 4.36Å; P84-Y238 HydrophobicContact CG-CD2 3.48Å; P84-Y238 VanDerWaalsContact CG-CD2 3.48Å; P84-Y238 HydrophobicContact CG-CE2 3.7Å; P84-Y238 HydrophobicContact CG-CG 4.35Å; Y87-Y238 AromaticContact CD2-CD1 3.91Å; Y87-Y238 HydrophobicContact CD2-CD1 3.91Å; Y87-Y238 HydrophobicContact CD2-CE1 4.28Å; Y87-Y238 HydrophobicContact CD2-CG 4.46Å; Y87-Y238 AromaticContact CE2-CD1 3.21Å; Y87-Y238 HydrophobicContact CE2-CD1 3.21Å; Y87-Y238 HydrophobicContact CE2-CE1 4Å; Y87-Y238 AromaticContact CE2-CG 3.65Å; Y87-Y238 HydrophobicContact CE2-CG 3.65Å; Y87-Y238 AromaticContact CZ-CD1 3.95Å; R137-Y238 PolarHBondContact NH1-OH 3.14Å; T236-Y238 HydrophobicContact CG2-CD1 4Å; T236-Y238 HydrophobicContact CG2-CE1 3.82Å; Y238-F240 HydrophobicContact CD2-CE2 4.07Å; Y238-F240 HydrophobicContact CD2-CZ 4.19Å; Y238-F240 AromaticContact CE2-CE2 3.96Å; Y238-F240 HydrophobicContact CE2-CE2 3.96Å; Y238-F240 AromaticContact CE2-CZ 3.75Å; Y238-F240 HydrophobicContact CE2-CZ 3.75Å; Y238-D250 WeakPolarHBondContact CE2-OD2 3.31Å; Y238-D250 PolarHBondContact OH-OD1 2.81Å; Y238-D250 PolarHBondContact OH-OD2 2.85Å; Y238-S291 VanDerWaalsContact O-CA 3.29Å; Y238-S291 WeakPolarHBondContact O-CA 3.39Å; Y238-S291 VanDerWaalsContact O-CB 3.3Å; Y238-S291 WeakPolarHBondContact O-CB 3.3Å; Y238-A292 HydrophobicContact CD2-CB 4.39Å; Y238-A292 HydrophobicContact CE2-CB 3.79Å; Y238-A292 PolarHBondContact N-O 3.39Å; Y238-A292 PolarHBondContact O-N 3.2Å; Y238-R294 HydrophobicContact CE1-CG 4.17Å |
| 239 | R | 80.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.8 | 176.3 | -171.1 | -179.6 | 179.3 | -178.7 | 7.2 | 109.9 | D77 F81 P82 P84 Y170 P172 W241 S288 A290 | D77-R239 VanDerWaalsContact CB-NH1 3.26Å; D77-R239 IonicContact OD2-NH1 3.36Å; D77-R239 PolarHBondContact OD2-NH1 2.95Å; F81-R239 HydrophobicContact CB-CB 3.76Å; F81-R239 HydrophobicContact CG-CB 4.4Å; P82-R239 PolarHBondContact O-N 2.8Å; P84-R239 WeakPolarHBondContact CD-O 3.5Å; Y170-R239 PolarHBondContact OH-NH1 2.85Å; Y170-R239 PolarHBondContact OH-NH2 3.42Å; P172-R239 HydrophobicContact CG-CG 4.4Å; R239-W241 HydrophobicContact CB-CE3 4.22Å; R239-W241 HydrophobicContact CB-CZ3 4.24Å; R239-W241 VanDerWaalsContact O-CZ3 3.26Å; R239-W241 WeakPolarHBondContact O-CZ3 3.16Å; R239-S288 PolarHBondContact NE-O 3.12Å; R239-S288 PolarHBondContact NH2-O 3.08Å; R239-A290 WeakPolarHBondContact CG-O 3.22Å |
| 240 | F | 75.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.5 | 172.8 | -59.1 | -100.9 | 0 | 0 | 0 | 109.1 | P84 Y238 M247 D250 I257 E287 A290 A292 | P84-F240 HydrophobicContact CB-CE1 4.29Å; P84-F240 HydrophobicContact CG-CD1 3.51Å; P84-F240 HydrophobicContact CG-CE1 3.27Å; P84-F240 HydrophobicContact CG-CE2 4.35Å; P84-F240 HydrophobicContact CG-CG 4.16Å; P84-F240 HydrophobicContact CG-CZ 3.75Å; Y238-F240 HydrophobicContact CD2-CE2 4.07Å; Y238-F240 HydrophobicContact CD2-CZ 4.19Å; Y238-F240 AromaticContact CE2-CE2 3.96Å; Y238-F240 HydrophobicContact CE2-CE2 3.96Å; Y238-F240 AromaticContact CE2-CZ 3.75Å; Y238-F240 HydrophobicContact CE2-CZ 3.75Å; F240-M247 HydrophobicContact CB-CG 4.09Å; F240-M247 HydrophobicContact CD1-CB 4.28Å; F240-M247 HydrophobicContact CD1-CG 3.49Å; F240-M247 VanDerWaalsContact CD1-CG 3.49Å; F240-M247 HydrophobicContact CD2-CG 4.47Å; F240-M247 HydrophobicContact CE1-CB 4.32Å; F240-M247 HydrophobicContact CE1-CG 3.97Å; F240-M247 HydrophobicContact CG-CG 3.77Å; F240-D250 HydrophobicContact CE1-CB 3.71Å; F240-D250 HydrophobicContact CZ-CB 3.66Å; F240-I257 HydrophobicContact CE2-CB 4.3Å; F240-I257 HydrophobicContact CE2-CD1 4.19Å; F240-I257 HydrophobicContact CE2-CG2 3.97Å; F240-I257 HydrophobicContact CZ-CD1 4.28Å; F240-I257 HydrophobicContact CZ-CG2 3.86Å; F240-E287 CarbonylContact C-O 3.59Å; F240-A290 HydrophobicContact CB-CB 4.01Å; F240-A290 HydrophobicContact CD2-CB 3.66Å; F240-A290 WeakPolarHBondContact CD2-O 3.4Å; F240-A290 HydrophobicContact CE2-CB 4.44Å; F240-A290 HydrophobicContact CG-CB 4.07Å; F240-A290 PolarHBondContact N-O 3.31Å; F240-A292 HydrophobicContact CE2-CB 4.21Å |
| 241 | W | 65.6 | Low | 79 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | trans | -140.2 | 1 | 171.8 | 60.2 | 86.5 | 0 | 0 | 0 | 113.6 | F81 P82 H83 E86 R239 | F81-W241 WeakPolarHBondContact O-CH2 3.3Å; F81-W241 WeakPolarHBondContact O-CZ3 3.5Å; P82-W241 VanDerWaalsContact C-CZ3 3.41Å; H83-W241 VanDerWaalsContact CA-CH2 3.49Å; H83-W241 HydrophobicContact CB-CE3 4.47Å; H83-W241 HydrophobicContact CB-CH2 3.5Å; H83-W241 VanDerWaalsContact CB-CH2 3.5Å; H83-W241 HydrophobicContact CB-CZ2 3.46Å; H83-W241 VanDerWaalsContact CB-CZ2 3.46Å; H83-W241 HydrophobicContact CB-CZ3 3.98Å; H83-W241 AromaticContact CD2-CD2 3.59Å; H83-W241 AromaticContact CD2-CE2 3.69Å; H83-W241 AromaticContact CD2-CE3 3.81Å; E86-W241 WeakPolarHBondContact OE1-CH2 3.35Å; R239-W241 HydrophobicContact CB-CE3 4.22Å; R239-W241 HydrophobicContact CB-CZ3 4.24Å; R239-W241 VanDerWaalsContact O-CZ3 3.26Å; R239-W241 WeakPolarHBondContact O-CZ3 3.16Å | ||
| 242 | L | 54.4 | Low | 78.8 | Confident | 113 Ų | 113 | 46.7 Ų | 46.7 | 59% | 0.592 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -119.6 | 40.1 | -175.3 | -65.9 | 171.2 | 0 | 0 | 0 | 114.4 | ||
| 243 | G | 64.6 | Low | 78.5 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 25% | 0.247 | 23% | 0.228 | C | C | . | . | trans | 86.6 | 170.8 | 162 | 0 | 0 | 0 | 0 | 0 | 117 | K245 S246 | G243-K245 VanDerWaalsContact C-N 3.34Å; G243-K245 PolarHBondContact O-N 3.25Å; G243-S246 PolarHBondContact O-N 3.37Å | ||
| 244 | E | 75.1 | Confident | 78.5 | Confident | 144 Ų | 144 | 45.6 Ų | 45.6 | 67% | 0.673 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -54.1 | -39.1 | -168 | -174.6 | -179.3 | 167.5 | 0 | 0 | 114.4 | S246 M247 M248 | E244-S246 PolarHBondContact O-N 3.14Å; E244-M247 WeakPolarHBondContact O-CB 3.46Å; E244-M247 PolarHBondContact O-N 3.4Å; E244-M248 HydrophobicContact CG-CG 4.25Å; E244-M248 HydrophobicContact CG-SD 3.94Å; E244-M248 WeakPolarHBondContact O-CG 3.44Å; E244-M248 PolarHBondContact O-N 3Å |
| 245 | K | 77.1 | Confident | 78.9 | Confident | 171 Ų | 171 | 45.3 Ų | 45.3 | 74% | 0.743 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.4 | -41.2 | -175.8 | -73.5 | -171.8 | 177.1 | -176.8 | 0 | 113.4 | G243 M247 M248 K249 | G243-K245 VanDerWaalsContact C-N 3.34Å; G243-K245 PolarHBondContact O-N 3.25Å; K245-M247 VanDerWaalsContact C-N 3.32Å; K245-M248 PolarHBondContact O-N 3.39Å; K245-K249 WeakPolarHBondContact O-CB 3.37Å; K245-K249 PolarHBondContact O-N 3.42Å |
| 246 | S | 77.2 | Confident | 80 | Confident | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -35.7 | 178.4 | -62.1 | 0 | 0 | 0 | 0 | 111 | D85 G243 E244 D250 | D85-S246 PolarHBondContact OD2-OG 3.14Å; G243-S246 PolarHBondContact O-N 3.37Å; E244-S246 PolarHBondContact O-N 3.14Å; S246-D250 WeakPolarHBondContact O-CB 3.25Å; S246-D250 PolarHBondContact O-N 3.17Å |
| 247 | M | 83.3 | Confident | 81 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 172.5 | -65.7 | 167.1 | 62.5 | 0 | 0 | 111.7 | F240 E244 K245 K249 D250 I251 I257 I286 E287 A290 | F240-M247 HydrophobicContact CB-CG 4.09Å; F240-M247 HydrophobicContact CD1-CB 4.28Å; F240-M247 HydrophobicContact CD1-CG 3.49Å; F240-M247 VanDerWaalsContact CD1-CG 3.49Å; F240-M247 HydrophobicContact CD2-CG 4.47Å; F240-M247 HydrophobicContact CE1-CB 4.32Å; F240-M247 HydrophobicContact CE1-CG 3.97Å; F240-M247 HydrophobicContact CG-CG 3.77Å; E244-M247 WeakPolarHBondContact O-CB 3.46Å; E244-M247 PolarHBondContact O-N 3.4Å; K245-M247 VanDerWaalsContact C-N 3.32Å; M247-K249 VanDerWaalsContact C-N 3.31Å; M247-K249 PolarHBondContact O-N 3.03Å; M247-D250 PolarHBondContact O-N 3.38Å; M247-I251 WeakPolarHBondContact O-CB 3.28Å; M247-I251 VanDerWaalsContact O-CG1 3.22Å; M247-I251 WeakPolarHBondContact O-CG1 3.13Å; M247-I251 PolarHBondContact O-N 3.47Å; M247-I257 HydrophobicContact CB-CD1 3.79Å; M247-I257 HydrophobicContact CE-CD1 3.61Å; M247-I257 HydrophobicContact CG-CD1 3.89Å; M247-I286 HydrophobicContact CE-CG2 3.74Å; M247-E287 HydrophobicContact SD-CB 4.11Å; M247-A290 HydrophobicContact CE-CB 3.83Å; M247-A290 HydrophobicContact CG-CB 4.4Å; M247-A290 HydrophobicContact SD-CB 4.13Å |
| 248 | M | 85.1 | Confident | 81.6 | Confident | 71 Ų | 71 | 44 Ų | 44 | 35% | 0.35 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 177.2 | -68.2 | 173 | 75.7 | 0 | 0 | 111.5 | L96 E244 K245 I251 Y252 | L96-M248 HydrophobicContact CD1-CB 3.82Å; E244-M248 HydrophobicContact CG-CG 4.25Å; E244-M248 HydrophobicContact CG-SD 3.94Å; E244-M248 WeakPolarHBondContact O-CG 3.44Å; E244-M248 PolarHBondContact O-N 3Å; K245-M248 PolarHBondContact O-N 3.39Å; M248-I251 PolarHBondContact O-N 2.77Å; M248-Y252 VanDerWaalsContact O-CB 3.28Å; M248-Y252 WeakPolarHBondContact O-CB 3.48Å; M248-Y252 PolarHBondContact O-N 3.36Å |
| 249 | K | 82.6 | Confident | 82 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 176.4 | -176 | -179.5 | 178.6 | 177.3 | 0 | 111.9 | E90 L96 K245 M247 I251 Y252 L253 | E90-K249 PolarHBondContact O-NZ 3.48Å; L96-K249 HydrophobicContact CD1-CB 4.22Å; L96-K249 HydrophobicContact CD2-CB 4.35Å; K245-K249 WeakPolarHBondContact O-CB 3.37Å; K245-K249 PolarHBondContact O-N 3.42Å; M247-K249 VanDerWaalsContact C-N 3.31Å; M247-K249 PolarHBondContact O-N 3.03Å; K249-I251 VanDerWaalsContact C-N 3.35Å; K249-Y252 WeakPolarHBondContact O-CB 3.41Å; K249-Y252 PolarHBondContact O-N 3.47Å; K249-L253 HydrophobicContact CG-CD1 3.93Å; K249-L253 WeakPolarHBondContact O-CG 3.41Å; K249-L253 PolarHBondContact O-N 2.75Å |
| 250 | D | 85.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -37.5 | -179 | -157.3 | 78.6 | 0 | 0 | 0 | 111.7 | R137 Y238 F240 S246 M247 L253 Y254 G255 | R137-D250 IonicContact CZ-OD2 3.91Å; R137-D250 IonicContact NH1-OD2 2.9Å; R137-D250 PolarHBondContact NH1-OD2 2.9Å; R137-D250 IonicContact NH2-OD2 2.77Å; R137-D250 PolarHBondContact NH2-OD2 3.15Å; Y238-D250 WeakPolarHBondContact CE2-OD2 3.31Å; Y238-D250 PolarHBondContact OH-OD1 2.81Å; Y238-D250 PolarHBondContact OH-OD2 2.85Å; F240-D250 HydrophobicContact CE1-CB 3.71Å; F240-D250 HydrophobicContact CZ-CB 3.66Å; S246-D250 WeakPolarHBondContact O-CB 3.25Å; S246-D250 PolarHBondContact O-N 3.17Å; M247-D250 PolarHBondContact O-N 3.38Å; D250-L253 PolarHBondContact O-N 3.16Å; D250-Y254 PolarHBondContact O-N 3.39Å; D250-Y254 VanDerWaalsContact OD1-CD2 3.31Å; D250-Y254 WeakPolarHBondContact OD1-CD2 3.14Å; D250-G255 PolarHBondContact O-N 3.21Å |
| 251 | I | 91.1 | Very high | 82.2 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 172.5 | -68 | 165.1 | 0 | 0 | 0 | 111.3 | F100 W106 M247 M248 K249 G255 I257 | F100-I251 HydrophobicContact CD1-CG2 3.72Å; F100-I251 HydrophobicContact CE1-CG2 3.71Å; F100-I251 WeakPolarHBondContact CE1-O 3.22Å; W106-I251 WeakPolarHBondContact CH2-O 3.26Å; M247-I251 WeakPolarHBondContact O-CB 3.28Å; M247-I251 VanDerWaalsContact O-CG1 3.22Å; M247-I251 WeakPolarHBondContact O-CG1 3.13Å; M247-I251 PolarHBondContact O-N 3.47Å; M248-I251 PolarHBondContact O-N 2.77Å; K249-I251 VanDerWaalsContact C-N 3.35Å; I251-G255 WeakPolarHBondContact CA-O 3.41Å; I251-G255 VanDerWaalsContact O-CA 3.3Å; I251-G255 WeakPolarHBondContact O-CA 3.47Å; I251-G255 PolarHBondContact O-N 3.32Å; I251-G255 VanDerWaalsContact O-N 3.07Å; I251-I257 HydrophobicContact CD1-CD1 3.83Å; I251-I257 HydrophobicContact CD1-CG1 3.98Å; I251-I257 HydrophobicContact CG1-CD1 4.05Å; I251-I257 HydrophobicContact CG1-CG1 4.01Å; I251-I257 HydrophobicContact CG1-CG2 3.99Å |
| 252 | Y | 88.8 | Confident | 82.7 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 30% | 0.298 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 179.8 | -178.7 | -102.6 | 0 | 0 | 0 | 112.7 | I94 L96 P97 F100 W106 M248 K249 | I94-Y252 HydrophobicContact CG2-CD1 3.93Å; I94-Y252 HydrophobicContact CG2-CE1 3.8Å; L96-Y252 HydrophobicContact CD2-CD1 4Å; L96-Y252 HydrophobicContact CD2-CG 3.88Å; P97-Y252 HydrophobicContact CG-CD2 4.18Å; P97-Y252 HydrophobicContact CG-CE2 4.01Å; F100-Y252 AromaticContact CD2-CD2 3.45Å; F100-Y252 HydrophobicContact CD2-CD2 3.45Å; F100-Y252 VanDerWaalsContact CD2-CD2 3.45Å; F100-Y252 AromaticContact CD2-CE2 3.94Å; F100-Y252 HydrophobicContact CD2-CE2 3.94Å; F100-Y252 AromaticContact CE2-CD2 3.38Å; F100-Y252 HydrophobicContact CE2-CD2 3.38Å; F100-Y252 AromaticContact CE2-CE2 3.82Å; F100-Y252 HydrophobicContact CE2-CE2 3.82Å; F100-Y252 HydrophobicContact CE2-CG 4.32Å; F100-Y252 HydrophobicContact CG-CD2 4.2Å; F100-Y252 HydrophobicContact CZ-CD2 4.1Å; W106-Y252 VanDerWaalsContact CH2-O 3.24Å; W106-Y252 WeakPolarHBondContact CH2-O 3.27Å; M248-Y252 VanDerWaalsContact O-CB 3.28Å; M248-Y252 WeakPolarHBondContact O-CB 3.48Å; M248-Y252 PolarHBondContact O-N 3.36Å; K249-Y252 WeakPolarHBondContact O-CB 3.41Å; K249-Y252 PolarHBondContact O-N 3.47Å |
| 253 | L | 85.5 | Confident | 83.9 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -87.1 | -44 | -175.8 | -67.7 | 174.6 | 0 | 0 | 0 | 113.4 | E90 I94 K249 D250 | E90-L253 HydrophobicContact CB-CD1 4.37Å; I94-L253 HydrophobicContact CD1-CD1 3.92Å; I94-L253 HydrophobicContact CD1-CD2 3.89Å; I94-L253 HydrophobicContact CD1-CG 4.34Å; K249-L253 HydrophobicContact CG-CD1 3.93Å; K249-L253 WeakPolarHBondContact O-CG 3.41Å; K249-L253 PolarHBondContact O-N 2.75Å; D250-L253 PolarHBondContact O-N 3.16Å |
| 254 | Y | 88 | Confident | 84.7 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 14% | 0.137 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -119.4 | -10.1 | -166.2 | -52.4 | -58.8 | 0 | 0 | 0 | 113.5 | E90 R137 D250 R294 | E90-Y254 PolarHBondContact OE1-OH 2.73Å; E90-Y254 PolarHBondContact OE2-OH 3.15Å; R137-Y254 WeakPolarHBondContact CG-O 3.3Å; D250-Y254 PolarHBondContact O-N 3.39Å; D250-Y254 VanDerWaalsContact OD1-CD2 3.31Å; D250-Y254 WeakPolarHBondContact OD1-CD2 3.14Å; Y254-R294 VanDerWaalsContact CE2-CZ 3.46Å; Y254-R294 VanDerWaalsContact CE2-NH2 3.29Å; Y254-R294 HydrophobicContact CG-CG 4.42Å; Y254-R294 VanDerWaalsContact OH-CZ 3.28Å; Y254-R294 PolarHBondContact OH-NH1 2.87Å; Y254-R294 PolarHBondContact OH-NH2 2.86Å |
| 255 | G | 92.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 98.6 | -168.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R137 D250 I251 | R137-G255 PolarHBondContact NH2-O 2.97Å; D250-G255 PolarHBondContact O-N 3.21Å; I251-G255 WeakPolarHBondContact CA-O 3.41Å; I251-G255 VanDerWaalsContact O-CA 3.3Å; I251-G255 WeakPolarHBondContact O-CA 3.47Å; I251-G255 PolarHBondContact O-N 3.32Å; I251-G255 VanDerWaalsContact O-N 3.07Å | ||
| 256 | P | 96.7 | Very high | 85.1 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 16% | 0.156 | 20% | 0.204 | C | C | . | . | trans | -50.2 | 153.8 | -170.6 | -29.4 | 37 | 0 | 0 | 0 | 115.1 | I113 V133 D136 R137 | I113-P256 HydrophobicContact CG2-CG 4.15Å; V133-P256 VanDerWaalsContact CG1-O 3.28Å; V133-P256 WeakPolarHBondContact CG1-O 3.28Å; V133-P256 HydrophobicContact CG2-CB 4.37Å; D136-P256 HydrophobicContact CB-CG 4.15Å; D136-P256 WeakPolarHBondContact OD2-CG 3.43Å; R137-P256 PolarHBondContact NE-O 2.9Å; R137-P256 PolarHBondContact NH2-O 3.3Å | ||
| 257 | I | 94.4 | Very high | 85.5 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | trans | -126.2 | 159.1 | 177.3 | 63.3 | -180 | 0 | 0 | 0 | 110.1 | F240 M247 I251 A290 A292 | F240-I257 HydrophobicContact CE2-CB 4.3Å; F240-I257 HydrophobicContact CE2-CD1 4.19Å; F240-I257 HydrophobicContact CE2-CG2 3.97Å; F240-I257 HydrophobicContact CZ-CD1 4.28Å; F240-I257 HydrophobicContact CZ-CG2 3.86Å; M247-I257 HydrophobicContact CB-CD1 3.79Å; M247-I257 HydrophobicContact CE-CD1 3.61Å; M247-I257 HydrophobicContact CG-CD1 3.89Å; I251-I257 HydrophobicContact CD1-CD1 3.83Å; I251-I257 HydrophobicContact CD1-CG1 3.98Å; I251-I257 HydrophobicContact CG1-CD1 4.05Å; I251-I257 HydrophobicContact CG1-CG1 4.01Å; I251-I257 HydrophobicContact CG1-CG2 3.99Å; I257-A290 HydrophobicContact CD1-CB 4.12Å; I257-A292 HydrophobicContact CB-CB 4.24Å; I257-A292 HydrophobicContact CG2-CB 3.84Å | ||
| 258 | V | 92.4 | Very high | 85.6 | Confident | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.7 | 168.5 | 177.5 | 0 | 0 | 0 | 0 | 108.2 | S129 A130 V133 P171 F175 A290 S291 | S129-V258 WeakPolarHBondContact O-CG2 3.1Å; A130-V258 HydrophobicContact CB-CG2 4.42Å; V133-V258 HydrophobicContact CB-CG2 4.11Å; V133-V258 HydrophobicContact CG2-CG2 3.72Å; P171-V258 HydrophobicContact CB-CB 4.44Å; P171-V258 HydrophobicContact CB-CG1 3.78Å; P171-V258 HydrophobicContact CG-CG1 4Å; F175-V258 HydrophobicContact CE2-CB 4.23Å; F175-V258 HydrophobicContact CE2-CG2 3.86Å; F175-V258 HydrophobicContact CZ-CB 4.48Å; F175-V258 HydrophobicContact CZ-CG2 3.72Å; V258-A290 CarbonylContact O-C 3.56Å; V258-A290 WeakPolarHBondContact O-CA 3.34Å; V258-A290 WeakPolarHBondContact O-CB 3.34Å; V258-S291 PolarHBondContact N-O 3.18Å; V258-S291 PolarHBondContact O-N 2.99Å |
| 259 | A | 86.8 | Confident | 85.8 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 38% | 0.38 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 121 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | I286 | A259-I286 HydrophobicContact CB-CG2 3.3Å |
| 260 | G | 81.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | trans | -95 | 151 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I286 Y289 | G260-I286 WeakPolarHBondContact O-CA 3.35Å; G260-Y289 PolarHBondContact N-O 3.07Å; G260-Y289 WeakPolarHBondContact O-CB 3.33Å | ||
| 261 | F | 77.5 | Confident | 86.4 | Confident | 59 Ų | 59 | 42.8 Ų | 42.8 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | trans | -153.6 | 158 | 171 | 61 | -83.4 | 0 | 0 | 0 | 110.5 | V263 F267 I277 I286 | F261-V263 HydrophobicContact CD2-CG2 4.44Å; F261-V263 HydrophobicContact CE2-CG2 4.01Å; F261-V263 HydrophobicContact CZ-CG2 4.44Å; F261-V263 PolarHBondContact O-N 3.21Å; F261-F267 HydrophobicContact CE2-CD1 4.39Å; F261-F267 HydrophobicContact CE2-CD2 4.39Å; F261-F267 HydrophobicContact CE2-CE1 4.33Å; F261-F267 HydrophobicContact CE2-CE2 4.34Å; F261-F267 HydrophobicContact CE2-CG 4.42Å; F261-F267 HydrophobicContact CE2-CZ 4.3Å; F261-F267 HydrophobicContact CZ-CD1 4.38Å; F261-F267 AromaticContact CZ-CE1 3.87Å; F261-F267 HydrophobicContact CZ-CE1 3.87Å; F261-F267 HydrophobicContact CZ-CE2 4.03Å; F261-F267 AromaticContact CZ-CZ 3.68Å; F261-F267 HydrophobicContact CZ-CZ 3.68Å; F261-I277 HydrophobicContact CB-CD1 4.09Å; F261-I277 HydrophobicContact CD2-CD1 3.62Å; F261-I277 HydrophobicContact CE2-CD1 4.41Å; F261-I277 HydrophobicContact CG-CD1 4.12Å; F261-I286 HydrophobicContact CB-CG1 3.82Å; F261-I286 HydrophobicContact CD1-CG1 4.39Å; F261-I286 HydrophobicContact CG-CG1 4.42Å | ||
| 262 | T | 76.1 | Confident | 86.3 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 37% | 0.368 | 23% | 0.228 | S | C | . | . | trans | -66 | 117.8 | 173.3 | -52.6 | 0 | 0 | 0 | 0 | 110.1 | L70 Y264 | L70-T262 WeakPolarHBondContact CD1-OG1 3.43Å; T262-Y264 HydrophobicContact CG2-CE2 4.23Å; T262-Y264 WeakPolarHBondContact O-CD2 3.43Å; T262-Y264 PolarHBondContact O-N 3.42Å | ||
| 263 | V | 80 | Confident | 86.1 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | trans | -81.6 | 109 | 178.1 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | L66 F261 F267 | L66-V263 HydrophobicContact CD1-CB 4.06Å; L66-V263 HydrophobicContact CD1-CG1 4.48Å; L66-V263 HydrophobicContact CD1-CG2 4.47Å; L66-V263 HydrophobicContact CD2-CB 4.29Å; L66-V263 HydrophobicContact CD2-CG2 3.93Å; F261-V263 HydrophobicContact CD2-CG2 4.44Å; F261-V263 HydrophobicContact CE2-CG2 4.01Å; F261-V263 HydrophobicContact CZ-CG2 4.44Å; F261-V263 PolarHBondContact O-N 3.21Å; V263-F267 HydrophobicContact CG1-CB 4.21Å; V263-F267 HydrophobicContact CG1-CD1 3.92Å; V263-F267 HydrophobicContact CG1-CG 4.46Å | ||
| 264 | Y | 81 | Confident | 85.8 | Confident | 75 Ų | 75 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | trans | -80.6 | 151 | 170.6 | -69.2 | -79.5 | 0 | 0 | 0 | 111.2 | T262 D266 F267 I277 E283 | T262-Y264 HydrophobicContact CG2-CE2 4.23Å; T262-Y264 WeakPolarHBondContact O-CD2 3.43Å; T262-Y264 PolarHBondContact O-N 3.42Å; Y264-D266 WeakPolarHBondContact CB-OD1 3.3Å; Y264-D266 PolarHBondContact O-N 2.74Å; Y264-D266 VanDerWaalsContact O-N 3.09Å; Y264-F267 VanDerWaalsContact O-CB 3.26Å; Y264-F267 WeakPolarHBondContact O-CB 3.47Å; Y264-F267 PolarHBondContact O-N 3.45Å; Y264-I277 HydrophobicContact CD2-CG2 3.93Å; Y264-I277 HydrophobicContact CE2-CG2 3.49Å; Y264-I277 VanDerWaalsContact CE2-CG2 3.49Å; Y264-E283 PolarHBondContact OH-OE1 3.41Å; Y264-E283 PolarHBondContact OH-OE2 3.09Å | ||
| 265 | S | 79.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 47.6 Ų | 47.6 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -60 | -25.6 | -172.9 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | H25 M268 Y269 | H25-S265 WeakPolarHBondContact NE2-CB 3.28Å; H25-S265 PolarHBondContact NE2-OG 2.83Å; S265-M268 WeakPolarHBondContact O-CE 3.48Å; S265-Y269 WeakPolarHBondContact O-CE2 3.43Å |
| 266 | D | 80.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -71.6 | -26.4 | 177.3 | 61.9 | -23.5 | 0 | 0 | 0 | 113.3 | I29 W46 Y264 M268 Y269 | I29-D266 HydrophobicContact CD1-CB 4.06Å; W46-D266 HydrophobicContact CH2-CB 4.38Å; Y264-D266 WeakPolarHBondContact CB-OD1 3.3Å; Y264-D266 PolarHBondContact O-N 2.74Å; Y264-D266 VanDerWaalsContact O-N 3.09Å; D266-M268 PolarHBondContact O-N 3.07Å; D266-Y269 PolarHBondContact O-N 2.91Å; D266-Y269 VanDerWaalsContact O-N 3.15Å |
| 267 | F | 85.7 | Confident | 82.6 | Confident | 69 Ų | 69 | 58.3 Ų | 58.3 | 30% | 0.303 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -59.2 | -32.9 | 178.8 | -176.8 | -108.9 | 0 | 0 | 0 | 112.8 | F261 V263 Y264 Y269 Y270 F275 | F261-F267 HydrophobicContact CE2-CD1 4.39Å; F261-F267 HydrophobicContact CE2-CD2 4.39Å; F261-F267 HydrophobicContact CE2-CE1 4.33Å; F261-F267 HydrophobicContact CE2-CE2 4.34Å; F261-F267 HydrophobicContact CE2-CG 4.42Å; F261-F267 HydrophobicContact CE2-CZ 4.3Å; F261-F267 HydrophobicContact CZ-CD1 4.38Å; F261-F267 AromaticContact CZ-CE1 3.87Å; F261-F267 HydrophobicContact CZ-CE1 3.87Å; F261-F267 HydrophobicContact CZ-CE2 4.03Å; F261-F267 AromaticContact CZ-CZ 3.68Å; F261-F267 HydrophobicContact CZ-CZ 3.68Å; V263-F267 HydrophobicContact CG1-CB 4.21Å; V263-F267 HydrophobicContact CG1-CD1 3.92Å; V263-F267 HydrophobicContact CG1-CG 4.46Å; Y264-F267 VanDerWaalsContact O-CB 3.26Å; Y264-F267 WeakPolarHBondContact O-CB 3.47Å; Y264-F267 PolarHBondContact O-N 3.45Å; F267-Y269 PolarHBondContact O-N 3.24Å; F267-Y270 VanDerWaalsContact O-CB 3.26Å; F267-Y270 WeakPolarHBondContact O-CB 2.97Å; F267-Y270 PolarHBondContact O-N 2.91Å; F267-F275 HydrophobicContact CB-CE1 4.13Å; F267-F275 HydrophobicContact CB-CE2 4.33Å; F267-F275 HydrophobicContact CB-CZ 3.8Å; F267-F275 AromaticContact CD2-CD1 3.67Å; F267-F275 HydrophobicContact CD2-CD1 3.67Å; F267-F275 HydrophobicContact CD2-CD2 4.25Å; F267-F275 AromaticContact CD2-CE1 3.66Å; F267-F275 HydrophobicContact CD2-CE1 3.66Å; F267-F275 HydrophobicContact CD2-CE2 4.25Å; F267-F275 AromaticContact CD2-CG 3.98Å; F267-F275 HydrophobicContact CD2-CG 3.98Å; F267-F275 AromaticContact CD2-CZ 3.97Å; F267-F275 HydrophobicContact CD2-CZ 3.97Å; F267-F275 HydrophobicContact CE2-CD1 4.23Å; F267-F275 HydrophobicContact CE2-CG 4.45Å; F267-F275 HydrophobicContact CG-CE1 4.34Å; F267-F275 HydrophobicContact CG-CZ 4.4Å |
| 268 | M | 85.7 | Confident | 80.7 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -64.4 | -14 | -179.3 | -53.3 | -176.8 | -69 | 0 | 0 | 113.6 | F21 Y22 N51 F54 I62 S265 D266 | F21-M268 HydrophobicContact CE1-CE 4.22Å; Y22-M268 HydrophobicContact CD2-CB 4.37Å; Y22-M268 HydrophobicContact CD2-CE 4.4Å; Y22-M268 HydrophobicContact CE2-CB 3.71Å; Y22-M268 PolarHBondContact OH-O 3.25Å; N51-M268 PolarHBondContact ND2-O 2.84Å; F54-M268 HydrophobicContact CD2-CB 4.17Å; F54-M268 HydrophobicContact CE2-CB 4.16Å; I62-M268 HydrophobicContact CB-SD 4.4Å; I62-M268 HydrophobicContact CD1-CE 4.3Å; I62-M268 HydrophobicContact CD1-SD 3.57Å; I62-M268 VanDerWaalsContact CD1-SD 3.57Å; I62-M268 HydrophobicContact CG1-SD 4.33Å; I62-M268 HydrophobicContact CG2-SD 3.43Å; I62-M268 WeakPolarHBondContact CG2-SD 3.31Å; S265-M268 WeakPolarHBondContact O-CE 3.48Å; D266-M268 PolarHBondContact O-N 3.07Å |
| 269 | Y | 89.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -103.4 | 1.5 | 177.9 | -49.6 | -75.7 | 0 | 0 | 0 | 112.6 | Y22 H25 F26 I29 Y48 G49 L50 S265 D266 F267 K271 | Y22-Y269 HydrophobicContact CD2-CD1 4.4Å; Y22-Y269 AromaticContact CD2-CE1 3.53Å; Y22-Y269 HydrophobicContact CD2-CE1 3.53Å; Y22-Y269 AromaticContact CD2-CZ 3.75Å; Y22-Y269 WeakPolarHBondContact CD2-OH 3.13Å; Y22-Y269 HydrophobicContact CE1-CE1 4.19Å; Y22-Y269 AromaticContact CE2-CD1 3.52Å; Y22-Y269 HydrophobicContact CE2-CD1 3.52Å; Y22-Y269 AromaticContact CE2-CE1 3.07Å; Y22-Y269 HydrophobicContact CE2-CE1 3.07Å; Y22-Y269 HydrophobicContact CE2-CE2 4.44Å; Y22-Y269 HydrophobicContact CE2-CG 4.39Å; Y22-Y269 AromaticContact CE2-CZ 3.6Å; Y22-Y269 HydrophobicContact CG-CE1 4.24Å; Y22-Y269 AromaticContact CZ-CD1 3.58Å; Y22-Y269 AromaticContact CZ-CE1 3.45Å; Y22-Y269 VanDerWaalsContact CZ-CE1 3.45Å; Y22-Y269 PolarHBondContact O-OH 3.14Å; Y22-Y269 WeakPolarHBondContact OH-CD1 3.34Å; H25-Y269 WeakPolarHBondContact CB-OH 3.37Å; H25-Y269 AromaticContact CD2-CE2 3.85Å; H25-Y269 PolarHBondContact CD2-OH 3.17Å; F26-Y269 HydrophobicContact CB-CD1 4.14Å; F26-Y269 HydrophobicContact CB-CE1 3.63Å; F26-Y269 AromaticContact CD2-CD1 3.37Å; F26-Y269 HydrophobicContact CD2-CD1 3.37Å; F26-Y269 AromaticContact CD2-CE1 3.8Å; F26-Y269 HydrophobicContact CD2-CE1 3.8Å; F26-Y269 AromaticContact CD2-CG 3.92Å; F26-Y269 HydrophobicContact CD2-CG 3.92Å; F26-Y269 HydrophobicContact CE2-CD1 4.17Å; F26-Y269 HydrophobicContact CG-CD1 4.16Å; F26-Y269 HydrophobicContact CG-CE1 4.16Å; I29-Y269 HydrophobicContact CG1-CD2 4.13Å; I29-Y269 HydrophobicContact CG1-CE2 3.83Å; I29-Y269 HydrophobicContact CG2-CD2 4.36Å; Y48-Y269 CarbonylContact C-O 3.38Å; Y48-Y269 WeakPolarHBondContact CA-O 3.49Å; Y48-Y269 WeakPolarHBondContact CB-O 3.3Å; G49-Y269 PolarHBondContact N-O 3.16Å; G49-Y269 CarbonylContact O-C 3.51Å; G49-Y269 WeakPolarHBondContact O-CA 3.26Å; G49-Y269 VanDerWaalsContact O-O 3.13Å; L50-Y269 HydrophobicContact CD2-CD1 4.42Å; L50-Y269 HydrophobicContact CD2-CE1 4.25Å; S265-Y269 WeakPolarHBondContact O-CE2 3.43Å; D266-Y269 PolarHBondContact O-N 2.91Å; D266-Y269 VanDerWaalsContact O-N 3.15Å; F267-Y269 PolarHBondContact O-N 3.24Å; Y269-K271 PolarHBondContact O-N 3Å |
| 270 | Y | 90.7 | Very high | 76.4 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 29% | 0.29 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.8 | 178.1 | 173.1 | -96.9 | 0 | 0 | 0 | 111.4 | W46 N51 F267 Q272 G273 F275 | W46-Y270 HydrophobicContact CB-CD2 4.07Å; W46-Y270 HydrophobicContact CB-CE2 4.02Å; W46-Y270 HydrophobicContact CD2-CD2 4.34Å; W46-Y270 AromaticContact CE3-CD2 3.8Å; W46-Y270 HydrophobicContact CE3-CD2 3.8Å; W46-Y270 HydrophobicContact CE3-CG 4.47Å; W46-Y270 HydrophobicContact CG-CD2 4.46Å; N51-Y270 PolarHBondContact ND2-O 2.74Å; F267-Y270 VanDerWaalsContact O-CB 3.26Å; F267-Y270 WeakPolarHBondContact O-CB 2.97Å; F267-Y270 PolarHBondContact O-N 2.91Å; Y270-Q272 WeakPolarHBondContact OH-CA 3.42Å; Y270-G273 WeakPolarHBondContact CE2-O 3.48Å; Y270-G273 PolarHBondContact OH-N 2.89Å; Y270-G273 VanDerWaalsContact OH-N 3.14Å; Y270-G273 PolarHBondContact OH-O 2.74Å; Y270-F275 HydrophobicContact CD2-CB 3.86Å; Y270-F275 HydrophobicContact CD2-CD2 4.15Å; Y270-F275 HydrophobicContact CD2-CG 4.4Å; Y270-F275 HydrophobicContact CE2-CB 4.02Å |
| 271 | K | 88.8 | Confident | 74.3 | Confident | 99 Ų | 99 | 82 Ų | 82 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -44.1 | 175.3 | -71.5 | -69.4 | -172.8 | -176.8 | 0 | 112.9 | K47 L50 N51 Y269 | K47-K271 PolarHBondContact O-N 3.4Å; L50-K271 WeakPolarHBondContact O-CE 3.38Å; L50-K271 PolarHBondContact O-NZ 3.16Å; N51-K271 WeakPolarHBondContact OD1-CD 3.37Å; N51-K271 WeakPolarHBondContact OD1-CE 3.27Å; N51-K271 PolarHBondContact OD1-NZ 2.97Å; Y269-K271 PolarHBondContact O-N 3Å |
| 272 | Q | 89.5 | Confident | 72.5 | Confident | 98 Ų | 98 | 86.9 Ų | 86.9 | 46% | 0.458 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 158.6 | -178.4 | 52.9 | 164.6 | 100.4 | 0 | 0 | 111.5 | W46 K47 Y270 | W46-Q272 CarbonylContact C-O 3.57Å; W46-Q272 VanDerWaalsContact CA-O 3.25Å; W46-Q272 WeakPolarHBondContact CA-O 3.04Å; W46-Q272 WeakPolarHBondContact CB-O 3.46Å; K47-Q272 HydrophobicContact CB-CG 3.64Å; K47-Q272 HydrophobicContact CD-CG 3.69Å; K47-Q272 VanDerWaalsContact CE-CD 3.48Å; K47-Q272 HydrophobicContact CG-CG 3.7Å; K47-Q272 PolarHBondContact N-O 2.88Å; K47-Q272 VanDerWaalsContact NZ-NE2 3.13Å; K47-Q272 VanDerWaalsContact NZ-OE1 3.1Å; K47-Q272 PolarHBondContact O-N 2.87Å; Y270-Q272 WeakPolarHBondContact OH-CA 3.42Å |
| 273 | G | 85.3 | Confident | 70.9 | Confident | 42 Ų | 42 | 88 Ų | 88 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.9 | -163.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y270 F275 | Y270-G273 WeakPolarHBondContact CE2-O 3.48Å; Y270-G273 PolarHBondContact OH-N 2.89Å; Y270-G273 VanDerWaalsContact OH-N 3.14Å; Y270-G273 PolarHBondContact OH-O 2.74Å; G273-F275 PolarHBondContact O-N 2.94Å |
| 274 | L | 78.8 | Confident | 69.2 | Low | 119 Ų | 119 | 89.2 Ų | 89.2 | 62% | 0.623 | 43% | 0.427 | S | S | * | . | trans | -93 | 103.2 | -178.9 | -176.6 | 68.9 | 0 | 0 | 0 | 109.5 | P45 | P45-L274 HydrophobicContact CB-CB 4.36Å; P45-L274 WeakPolarHBondContact CG-O 3.25Å; P45-L274 PolarHBondContact O-N 2.81Å | ||
| 275 | F | 77.9 | Confident | 68 | Low | 38 Ų | 38 | 86.6 Ų | 86.6 | 17% | 0.167 | 42% | 0.422 | C | S | . | . | trans | -76.9 | 126.4 | 170.5 | -169.9 | -95.9 | 0 | 0 | 0 | 109.6 | W46 F267 Y270 G273 I277 | W46-F275 AromaticContact CD2-CD2 3.87Å; W46-F275 HydrophobicContact CD2-CD2 3.87Å; W46-F275 HydrophobicContact CD2-CE2 4.4Å; W46-F275 AromaticContact CE2-CD2 3.83Å; W46-F275 AromaticContact CE2-CE2 3.98Å; W46-F275 HydrophobicContact CE3-CD2 4.11Å; W46-F275 HydrophobicContact CG-CD2 4.29Å; W46-F275 HydrophobicContact CH2-CD2 4.33Å; W46-F275 AromaticContact CH2-CE2 3.96Å; W46-F275 HydrophobicContact CH2-CE2 3.96Å; W46-F275 HydrophobicContact CZ2-CD2 4.11Å; W46-F275 AromaticContact CZ2-CE2 3.79Å; W46-F275 HydrophobicContact CZ2-CE2 3.79Å; W46-F275 HydrophobicContact CZ3-CD2 4.28Å; W46-F275 HydrophobicContact CZ3-CE2 4.3Å; F267-F275 HydrophobicContact CB-CE1 4.13Å; F267-F275 HydrophobicContact CB-CE2 4.33Å; F267-F275 HydrophobicContact CB-CZ 3.8Å; F267-F275 AromaticContact CD2-CD1 3.67Å; F267-F275 HydrophobicContact CD2-CD1 3.67Å; F267-F275 HydrophobicContact CD2-CD2 4.25Å; F267-F275 AromaticContact CD2-CE1 3.66Å; F267-F275 HydrophobicContact CD2-CE1 3.66Å; F267-F275 HydrophobicContact CD2-CE2 4.25Å; F267-F275 AromaticContact CD2-CG 3.98Å; F267-F275 HydrophobicContact CD2-CG 3.98Å; F267-F275 AromaticContact CD2-CZ 3.97Å; F267-F275 HydrophobicContact CD2-CZ 3.97Å; F267-F275 HydrophobicContact CE2-CD1 4.23Å; F267-F275 HydrophobicContact CE2-CG 4.45Å; F267-F275 HydrophobicContact CG-CE1 4.34Å; F267-F275 HydrophobicContact CG-CZ 4.4Å; Y270-F275 HydrophobicContact CD2-CB 3.86Å; Y270-F275 HydrophobicContact CD2-CD2 4.15Å; Y270-F275 HydrophobicContact CD2-CG 4.4Å; Y270-F275 HydrophobicContact CE2-CB 4.02Å; G273-F275 PolarHBondContact O-N 2.94Å; F275-I277 HydrophobicContact CD1-CG1 4.35Å; F275-I277 HydrophobicContact CE1-CG1 3.99Å | ||
| 276 | R | 69.8 | Low | 66.9 | Low | 193 Ų | 193 | 87.1 Ų | 87.1 | 73% | 0.728 | 42% | 0.421 | S | S | * | . | trans | -122.4 | 115 | -176.8 | -164.5 | -178.8 | -139.9 | -176 | 6.5 | 109.9 | R278 | R276-R278 PolarHBondContact O-N 3.34Š| ||
| 277 | I | 62.8 | Low | 65.5 | Low | 55 Ų | 55 | 87 Ų | 87 | 28% | 0.282 | 42% | 0.419 | S | S | . | . | trans | -71.1 | 116.8 | 170.9 | -58.5 | 171.6 | 0 | 0 | 0 | 107.8 | F261 Y264 F275 R279 | F261-I277 HydrophobicContact CB-CD1 4.09Å; F261-I277 HydrophobicContact CD2-CD1 3.62Å; F261-I277 HydrophobicContact CE2-CD1 4.41Å; F261-I277 HydrophobicContact CG-CD1 4.12Å; Y264-I277 HydrophobicContact CD2-CG2 3.93Å; Y264-I277 HydrophobicContact CE2-CG2 3.49Å; Y264-I277 VanDerWaalsContact CE2-CG2 3.49Å; F275-I277 HydrophobicContact CD1-CG1 4.35Å; F275-I277 HydrophobicContact CE1-CG1 3.99Å; I277-R279 PolarHBondContact O-N 3.43Å | ||
| 278 | R | 54.9 | Low | 64.1 | Low | 169 Ų | 169 | 84.8 Ų | 84.8 | 64% | 0.638 | 41% | 0.412 | S | S | * | . | trans | -77.5 | 105 | 173.8 | -67.9 | -171.2 | -171.9 | 168.4 | 12.2 | 108 | E36 R276 G280 | E36-R278 IonicContact OE1-CZ 3.88Å; E36-R278 IonicContact OE1-NH1 2.88Å; E36-R278 PolarHBondContact OE1-NH1 3.3Å; E36-R278 IonicContact OE1-NH2 2.67Å; E36-R278 PolarHBondContact OE1-NH2 3.26Å; E36-R278 IonicContact OE2-CZ 3.17Å; E36-R278 IonicContact OE2-NH1 3.03Å; E36-R278 IonicContact OE2-NH2 3.89Å; E36-R278 PolarHBondContact OE2-NH2 2.92Å; R276-R278 PolarHBondContact O-N 3.34Å; R278-G280 PolarHBondContact O-N 3.32Å | ||
| 279 | R | 46.7 | Very low | 63.4 | Low | 171 Ų | 171 | 85.5 Ų | 85.5 | 65% | 0.645 | 41% | 0.414 | S | S | * | . | trans | -57.6 | 126.1 | -178.7 | -67.2 | -175.5 | -178.4 | -164.3 | -8.8 | 111.6 | I277 E287 | I277-R279 PolarHBondContact O-N 3.43Å; R279-E287 IonicContact CZ-OE1 3.97Å; R279-E287 IonicContact NH2-OE1 2.72Å; R279-E287 PolarHBondContact NH2-OE1 3.46Å; R279-E287 IonicContact NH2-OE2 3.88Å | ||
| 280 | G | 42.8 | Very low | 63.1 | Low | 32 Ų | 32 | 85.6 Ų | 85.6 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | trans | -62.1 | 150.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | R278 D282 E283 | R278-G280 PolarHBondContact O-N 3.32Å; G280-D282 PolarHBondContact O-N 3.43Å; G280-E283 PolarHBondContact O-N 2.91Å | ||
| 281 | K | 37.2 | Very low | 63 | Low | 214 Ų | 214 | 82.1 Ų | 82.1 | 93% | 0.93 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -15.4 | -171.2 | -123 | -179.9 | -179.3 | -176.3 | 0 | 114.5 | ||
| 282 | D | 39.4 | Very low | 63.1 | Low | 161 Ų | 161 | 77.4 Ų | 77.4 | 86% | 0.861 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 20.2 | -174.4 | -59 | -53.3 | 0 | 0 | 0 | 113.9 | G280 | G280-D282 PolarHBondContact O-N 3.43Š|
| 283 | E | 41.5 | Very low | 62.9 | Low | 82 Ų | 82 | 72.7 Ų | 72.7 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | trans | -96.6 | 118.1 | 176.1 | -72.1 | 174.4 | -159.9 | 0 | 0 | 112.5 | Y264 G280 G285 | Y264-E283 PolarHBondContact OH-OE1 3.41Å; Y264-E283 PolarHBondContact OH-OE2 3.09Å; G280-E283 PolarHBondContact O-N 2.91Å; E283-G285 PolarHBondContact O-N 3.37Å | ||
| 284 | C | 44.4 | Very low | 62.9 | Low | 76 Ų | 76 | 72.7 Ų | 72.7 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | trans | -64 | 124.9 | 167.4 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | S288 Y289 | C284-S288 WeakPolarHBondContact CB-OG 3.11Å; C284-Y289 HydrophobicContact CB-CE2 4.37Å | ||
| 285 | G | 56 | Low | 63.1 | Low | 20 Ų | 20 | 67.5 Ų | 67.5 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | trans | -74.5 | -163.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E283 E287 S288 Y289 | E283-G285 PolarHBondContact O-N 3.37Å; G285-E287 VanDerWaalsContact CA-CD 3.46Å; G285-E287 WeakPolarHBondContact CA-OE1 3.22Å; G285-E287 WeakPolarHBondContact CA-OE2 3.3Å; G285-E287 PolarHBondContact N-OE1 2.92Å; G285-E287 PolarHBondContact O-N 3.12Å; G285-S288 PolarHBondContact O-N 3.02Å; G285-Y289 WeakPolarHBondContact O-CD2 3.2Å | ||
| 286 | I | 57.7 | Low | 63.1 | Low | 64 Ų | 64 | 69.5 Ų | 69.5 | 33% | 0.328 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -50.8 | -33.8 | 177.4 | -69.4 | 167.1 | 0 | 0 | 0 | 111.9 | M247 A259 G260 F261 S288 Y289 A290 | M247-I286 HydrophobicContact CE-CG2 3.74Å; A259-I286 HydrophobicContact CB-CG2 3.3Å; G260-I286 WeakPolarHBondContact O-CA 3.35Å; F261-I286 HydrophobicContact CB-CG1 3.82Å; F261-I286 HydrophobicContact CD1-CG1 4.39Å; F261-I286 HydrophobicContact CG-CG1 4.42Å; I286-S288 PolarHBondContact O-N 3.45Å; I286-S288 VanDerWaalsContact O-N 3.11Å; I286-Y289 CarbonylContact O-C 3.51Å; I286-Y289 PolarHBondContact O-N 3.3Å; I286-A290 PolarHBondContact O-N 3.02Å |
| 287 | E | 50.9 | Low | 63 | Low | 43 Ų | 43 | 61.7 Ų | 61.7 | 20% | 0.201 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -57.3 | -25.5 | -174 | 60.8 | -85 | -167.3 | 0 | 0 | 115.3 | F240 M247 R279 G285 | F240-E287 CarbonylContact C-O 3.59Å; M247-E287 HydrophobicContact SD-CB 4.11Å; R279-E287 IonicContact CZ-OE1 3.97Å; R279-E287 IonicContact NH2-OE1 2.72Å; R279-E287 PolarHBondContact NH2-OE1 3.46Å; R279-E287 IonicContact NH2-OE2 3.88Å; G285-E287 VanDerWaalsContact CA-CD 3.46Å; G285-E287 WeakPolarHBondContact CA-OE1 3.22Å; G285-E287 WeakPolarHBondContact CA-OE2 3.3Å; G285-E287 PolarHBondContact N-OE1 2.92Å; G285-E287 PolarHBondContact O-N 3.12Å |
| 288 | S | 56.2 | Low | 62.5 | Low | 22 Ų | 22 | 65.7 Ų | 65.7 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -89.3 | -6.3 | 177.2 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | R239 C284 G285 I286 | R239-S288 PolarHBondContact NE-O 3.12Å; R239-S288 PolarHBondContact NH2-O 3.08Å; C284-S288 WeakPolarHBondContact CB-OG 3.11Å; G285-S288 PolarHBondContact O-N 3.02Å; I286-S288 PolarHBondContact O-N 3.45Å; I286-S288 VanDerWaalsContact O-N 3.11Å |
| 289 | Y | 70.5 | Confident | 61.5 | Low | 24 Ų | 24 | 65.2 Ų | 65.2 | 9% | 0.094 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -128.4 | 22 | -171.5 | -58.3 | -67.3 | 0 | 0 | 0 | 112.2 | Y68 L70 G260 C284 G285 I286 | Y68-Y289 HydrophobicContact CE1-CD1 4.1Å; Y68-Y289 HydrophobicContact CE1-CG 4.35Å; L70-Y289 HydrophobicContact CD2-CD1 3.63Å; L70-Y289 HydrophobicContact CD2-CD2 4.05Å; L70-Y289 HydrophobicContact CD2-CE1 3.64Å; L70-Y289 HydrophobicContact CD2-CE2 4.06Å; L70-Y289 HydrophobicContact CD2-CG 3.83Å; G260-Y289 PolarHBondContact N-O 3.07Å; G260-Y289 WeakPolarHBondContact O-CB 3.33Å; C284-Y289 HydrophobicContact CB-CE2 4.37Å; G285-Y289 WeakPolarHBondContact O-CD2 3.2Å; I286-Y289 CarbonylContact O-C 3.51Å; I286-Y289 PolarHBondContact O-N 3.3Å |
| 290 | A | 83.7 | Confident | 60.5 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 145.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R239 F240 M247 I257 V258 I286 | R239-A290 WeakPolarHBondContact CG-O 3.22Å; F240-A290 HydrophobicContact CB-CB 4.01Å; F240-A290 HydrophobicContact CD2-CB 3.66Å; F240-A290 WeakPolarHBondContact CD2-O 3.4Å; F240-A290 HydrophobicContact CE2-CB 4.44Å; F240-A290 HydrophobicContact CG-CB 4.07Å; F240-A290 PolarHBondContact N-O 3.31Å; M247-A290 HydrophobicContact CE-CB 3.83Å; M247-A290 HydrophobicContact CG-CB 4.4Å; M247-A290 HydrophobicContact SD-CB 4.13Å; I257-A290 HydrophobicContact CD1-CB 4.12Å; V258-A290 CarbonylContact O-C 3.56Å; V258-A290 WeakPolarHBondContact O-CA 3.34Å; V258-A290 WeakPolarHBondContact O-CB 3.34Å; I286-A290 PolarHBondContact O-N 3.02Å |
| 291 | S | 88.8 | Confident | 59.7 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.7 | 176.5 | 55.5 | 0 | 0 | 0 | 0 | 112 | F175 Y238 V258 | F175-S291 WeakPolarHBondContact CE2-O 3.48Å; Y238-S291 VanDerWaalsContact O-CA 3.29Å; Y238-S291 WeakPolarHBondContact O-CA 3.39Å; Y238-S291 VanDerWaalsContact O-CB 3.3Å; Y238-S291 WeakPolarHBondContact O-CB 3.3Å; V258-S291 PolarHBondContact N-O 3.18Å; V258-S291 PolarHBondContact O-N 2.99Å |
| 292 | A | 90.7 | Very high | 59.1 | Low | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -179.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R137 Y237 Y238 F240 I257 | R137-A292 VanDerWaalsContact CZ-CB 3.49Å; R137-A292 VanDerWaalsContact NH1-CB 3.31Å; Y237-A292 CarbonylContact C-O 3.56Å; Y238-A292 HydrophobicContact CD2-CB 4.39Å; Y238-A292 HydrophobicContact CE2-CB 3.79Å; Y238-A292 PolarHBondContact N-O 3.39Å; Y238-A292 PolarHBondContact O-N 3.2Å; F240-A292 HydrophobicContact CE2-CB 4.21Å; I257-A292 HydrophobicContact CB-CB 4.24Å; I257-A292 HydrophobicContact CG2-CB 3.84Å |
| 293 | G | 86 | Confident | 58.3 | Low | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 169.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | R137 T236 | R137-G293 WeakPolarHBondContact CD-O 2.98Å; R137-G293 PolarHBondContact NH1-O 2.91Å; T236-G293 CarbonylContact O-C 3.45Å; T236-G293 WeakPolarHBondContact O-CA 3.19Å |
| 294 | R | 84.2 | Confident | 57.5 | Low | 41 Ų | 41 | 70.9 Ų | 70.9 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.3 | 173.2 | -59.4 | 175.8 | -170.2 | 172.7 | 3.1 | 109.4 | A234 T235 T236 Y238 Y254 | A234-R294 CarbonylContact C-O 3.59Å; A234-R294 WeakPolarHBondContact CA-O 3.09Å; A234-R294 WeakPolarHBondContact CB-O 3.48Å; T235-R294 PolarHBondContact N-O 2.7Å; T235-R294 WeakPolarHBondContact OG1-CB 3.22Å; T235-R294 PolarHBondContact OG1-O 3.46Å; T236-R294 HydrophobicContact CG2-CB 3.89Å; T236-R294 HydrophobicContact CG2-CG 3.79Å; T236-R294 PolarHBondContact O-N 3.25Å; T236-R294 VanDerWaalsContact O-N 3.11Å; Y238-R294 HydrophobicContact CE1-CG 4.17Å; Y254-R294 VanDerWaalsContact CE2-CZ 3.46Å; Y254-R294 VanDerWaalsContact CE2-NH2 3.29Å; Y254-R294 HydrophobicContact CG-CG 4.42Å; Y254-R294 VanDerWaalsContact OH-CZ 3.28Å; Y254-R294 PolarHBondContact OH-NH1 2.87Å; Y254-R294 PolarHBondContact OH-NH2 2.86Å |
| 295 | A | 84 | Confident | 56.7 | Low | 10 Ų | 10 | 75.6 Ų | 75.6 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 147.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R137 T138 A141 W178 | R137-A295 HydrophobicContact CB-CB 4.47Å; R137-A295 WeakPolarHBondContact O-CB 3.41Å; T138-A295 VanDerWaalsContact CA-CB 3.46Å; A141-A295 HydrophobicContact CB-CB 3.96Å; W178-A295 HydrophobicContact CH2-CB 3.7Å; W178-A295 HydrophobicContact CZ2-CB 3.84Å |
| 296 | K | 77.6 | Confident | 55.4 | Low | 81 Ų | 81 | 79.8 Ų | 79.8 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | trans | -92.6 | 114.4 | 170.8 | -171.4 | -178.7 | -175.4 | 174.9 | 0 | 109.6 | F233 T235 | F233-K296 HydrophobicContact CB-CB 4.33Å; F233-K296 HydrophobicContact CB-CD 4.08Å; F233-K296 WeakPolarHBondContact O-CB 3.29Å; F233-K296 PolarHBondContact O-N 3.3Å; T235-K296 HydrophobicContact CG2-CB 3.74Å; T235-K296 HydrophobicContact CG2-CG 3.95Å | ||
| 297 | V | 67.2 | Low | 54.3 | Low | 28 Ų | 28 | 77.8 Ų | 77.8 | 17% | 0.17 | 38% | 0.375 | C | S | . | . | trans | -76.1 | 129.8 | 172.3 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | A141 Y299 | A141-V297 HydrophobicContact CB-CG2 3.68Å; A141-V297 WeakPolarHBondContact O-CG2 3.44Å; V297-Y299 HydrophobicContact CB-CD2 4.32Å; V297-Y299 HydrophobicContact CB-CE2 3.88Å; V297-Y299 HydrophobicContact CG1-CD2 4.47Å; V297-Y299 HydrophobicContact CG1-CE2 4.12Å; V297-Y299 PolarHBondContact O-N 3.1Å | ||
| 298 | K | 52.5 | Low | 53.6 | Low | 140 Ų | 140 | 79.9 Ų | 79.9 | 61% | 0.609 | 39% | 0.387 | S | S | * | . | trans | -73.1 | 90.9 | 170.7 | -74.8 | -179.7 | -180 | 172.3 | 0 | 108.1 | K229 | K229-K298 PolarHBondContact O-NZ 3.43Š| ||
| 299 | Y | 33.9 | Very low | 53.2 | Low | 158 Ų | 158 | 79.8 Ų | 79.8 | 62% | 0.62 | 39% | 0.385 | S | S | * | . | trans | -76.5 | 127.2 | 158 | -64.6 | -77.8 | 0 | 0 | 0 | 108.1 | V297 H301 | V297-Y299 HydrophobicContact CB-CD2 4.32Å; V297-Y299 HydrophobicContact CB-CE2 3.88Å; V297-Y299 HydrophobicContact CG1-CD2 4.47Å; V297-Y299 HydrophobicContact CG1-CE2 4.12Å; V297-Y299 PolarHBondContact O-N 3.1Å; Y299-H301 PolarHBondContact O-N 2.82Å | ||
| 300 | E | 24.9 | Very low | 52.2 | Low | 190 Ų | 190 | 80 Ų | 80 | 89% | 0.888 | 39% | 0.387 | S | S | * | . | trans | -65.8 | 81 | 169.9 | -74.5 | -169.2 | 157.8 | 0 | 0 | 109.3 | ||||
| 301 | H | 27 | Very low | 50.6 | Low | 148 Ų | 148 | 82.7 Ų | 82.7 | 69% | 0.685 | 40% | 0.397 | S | S | * | . | trans | -140.2 | 145.4 | 166.6 | -73.6 | -63.8 | 0 | 0 | 0 | 112 | Y299 | Y299-H301 PolarHBondContact O-N 2.82Š| ||
| 302 | T | 24.3 | Very low | 49 | Very low | 127 Ų | 127 | 83 Ų | 83 | 78% | 0.779 | 40% | 0.398 | S | S | * | . | trans | -55.1 | 151.4 | -164 | -19.2 | 0 | 0 | 0 | 0 | 113.8 | L304 | T302-L304 PolarHBondContact O-N 3.2Š| ||
| 303 | F | 23.2 | Very low | 46.9 | Very low | 208 Ų | 208 | 89.4 Ų | 89.4 | 91% | 0.912 | 42% | 0.423 | S | S | * | . | trans | -47.6 | 105 | -175.8 | -68.3 | -93.1 | 0 | 0 | 0 | 113.9 | ||||
| 304 | L | 24.5 | Very low | 44.9 | Very low | 107 Ų | 107 | 93.2 Ų | 93.2 | 56% | 0.56 | 46% | 0.462 | S | S | * | . | trans | -75 | 125.8 | 155 | -145.4 | 91.8 | 0 | 0 | 0 | 107.7 | T302 L306 | T302-L304 PolarHBondContact O-N 3.2Å; L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 HydrophobicContact CD2-CD2 3.93Å; L304-L306 PolarHBondContact O-N 3.08Å | ||
| 305 | Q | 26.3 | Very low | 43.2 | Very low | 174 Ų | 174 | 93.3 Ų | 93.3 | 81% | 0.813 | 47% | 0.465 | S | S | * | . | trans | -67.3 | 91.6 | 168.1 | -84.1 | -171.5 | -1.8 | 0 | 0 | 109.4 | ||||
| 306 | L | 29.6 | Very low | 41.5 | Very low | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | trans | -78.7 | 129.4 | 174.8 | -67.1 | 167.6 | 0 | 0 | 0 | 110.6 | L304 Y526 | L304-L306 VanDerWaalsContact C-N 3.32Å; L304-L306 HydrophobicContact CD2-CD2 3.93Å; L304-L306 PolarHBondContact O-N 3.08Å; L306-Y526 HydrophobicContact CB-CD1 4.33Å; L306-Y526 HydrophobicContact CD2-CD1 4.11Å; L306-Y526 HydrophobicContact CD2-CD2 4.36Å; L306-Y526 HydrophobicContact CD2-CG 3.77Å | ||
| 307 | G | 33.8 | Very low | 40.3 | Very low | 21 Ų | 21 | 92.3 Ų | 92.3 | 22% | 0.216 | 47% | 0.465 | C | S | . | . | trans | -143.7 | 133.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | N309 Y526 | G307-N309 PolarHBondContact O-N 2.82Å; G307-Y526 WeakPolarHBondContact O-CA 3.18Å; G307-Y526 WeakPolarHBondContact O-CD1 3.46Å | ||
| 308 | I | 37.4 | Very low | 39.5 | Very low | 87 Ų | 87 | 93 Ų | 93 | 45% | 0.446 | 47% | 0.474 | S | S | . | . | trans | -61.8 | 112.5 | 176.6 | -62.8 | 168.3 | 0 | 0 | 0 | 107.4 | D310 R313 Y526 | I308-D310 PolarHBondContact O-N 2.69Å; I308-R313 HydrophobicContact CG2-CB 4.19Å; I308-Y526 HydrophobicContact CB-CE1 4.29Å; I308-Y526 HydrophobicContact CG1-CD1 4.16Å; I308-Y526 HydrophobicContact CG1-CE1 3.44Å; I308-Y526 VanDerWaalsContact CG1-CE1 3.44Å | ||
| 309 | N | 46.5 | Very low | 39.5 | Very low | 21 Ų | 21 | 89.7 Ų | 89.7 | 11% | 0.112 | 46% | 0.463 | C | S | . | . | trans | -61.5 | 130.4 | 172.8 | -177 | -61 | 0 | 0 | 0 | 109.4 | G307 R311 F312 R313 Y525 | G307-N309 PolarHBondContact O-N 2.82Å; N309-R311 PolarHBondContact O-N 3.25Å; N309-R311 VanDerWaalsContact O-N 3.08Å; N309-R311 WeakPolarHBondContact OD1-CB 3.44Å; N309-R311 PolarHBondContact OD1-N 3.49Å; N309-F312 HydrophobicContact CB-CD2 4.02Å; N309-F312 HydrophobicContact CB-CE2 4.4Å; N309-F312 PolarHBondContact O-N 3.29Å; N309-R313 PolarHBondContact O-N 2.93Å; N309-Y525 WeakPolarHBondContact CB-O 3.07Å; N309-Y525 PolarHBondContact N-O 2.65Å | ||
| 310 | D | 49.5 | Very low | 40.7 | Very low | 27 Ų | 27 | 83.4 Ų | 83.4 | 14% | 0.144 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -20.5 | -171.3 | -86.5 | 37.8 | 0 | 0 | 0 | 114.6 | I308 R313 F613 K617 | I308-D310 PolarHBondContact O-N 2.69Å; D310-R313 IonicContact OD1-CZ 3.57Å; D310-R313 IonicContact OD1-NH1 3.41Å; D310-R313 PolarHBondContact OD1-NH1 2.88Å; D310-R313 IonicContact OD1-NH2 2.81Å; D310-R313 PolarHBondContact OD1-NH2 2.81Å; D310-R313 IonicContact OD2-CZ 2.7Å; D310-R313 IonicContact OD2-NH1 3.9Å; D310-R313 PolarHBondContact OD2-NH1 3.43Å; D310-R313 IonicContact OD2-NH2 3.53Å; D310-F613 HydrophobicContact CB-CE1 4.09Å; D310-K617 WeakPolarHBondContact OD2-CD 3.32Å; D310-K617 VanDerWaalsContact OD2-CE 3.23Å; D310-K617 WeakPolarHBondContact OD2-CE 3.42Å; D310-K617 IonicContact OD2-NZ 3.79Å; D310-K617 PolarHBondContact OD2-NZ 3.24Å |
| 311 | R | 51.9 | Low | 42.4 | Very low | 58 Ų | 58 | 77.4 Ų | 77.4 | 22% | 0.219 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -37.4 | 173.1 | -172.4 | 176.3 | -175.9 | 122.3 | 2.8 | 112 | N309 M315 D371 S373 W565 | N309-R311 PolarHBondContact O-N 3.25Å; N309-R311 VanDerWaalsContact O-N 3.08Å; N309-R311 WeakPolarHBondContact OD1-CB 3.44Å; N309-R311 PolarHBondContact OD1-N 3.49Å; R311-M315 WeakPolarHBondContact O-CE 3.29Å; R311-D371 IonicContact CZ-OD1 2.89Å; R311-D371 VanDerWaalsContact CZ-OD1 3.26Å; R311-D371 IonicContact CZ-OD2 3.45Å; R311-D371 IonicContact NH1-OD1 2.79Å; R311-D371 PolarHBondContact NH1-OD1 3.36Å; R311-D371 IonicContact NH1-OD2 3.9Å; R311-D371 PolarHBondContact NH1-OD2 2.96Å; R311-D371 IonicContact NH2-OD1 3.32Å; R311-D371 PolarHBondContact NH2-OD1 3.26Å; R311-S373 PolarHBondContact NH2-O 2.86Å; R311-S373 VanDerWaalsContact NH2-O 3.07Å; R311-W565 VanDerWaalsContact NH1-CA 3.32Å; R311-W565 PolarHBondContact NH1-O 2.79Å |
| 312 | F | 53.4 | Low | 43.8 | Very low | 7 Ų | 7 | 72.4 Ų | 72.4 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -5.8 | -179.3 | -53.4 | -73.7 | 0 | 0 | 0 | 113.6 | N309 G314 M315 F323 Y525 W565 W569 | N309-F312 HydrophobicContact CB-CD2 4.02Å; N309-F312 HydrophobicContact CB-CE2 4.4Å; N309-F312 PolarHBondContact O-N 3.29Å; F312-G314 PolarHBondContact O-N 2.93Å; F312-M315 HydrophobicContact CB-CE 4.26Å; F312-M315 HydrophobicContact CD1-CE 3.41Å; F312-M315 VanDerWaalsContact CD1-CE 3.41Å; F312-M315 HydrophobicContact CE1-CE 4.08Å; F312-M315 HydrophobicContact CG-CE 4.2Å; F312-M315 PolarHBondContact O-N 3.47Å; F312-F323 HydrophobicContact CE1-CD1 4.42Å; F312-F323 HydrophobicContact CE1-CE1 4.11Å; F312-Y525 AromaticContact CD1-CD1 3.88Å; F312-Y525 HydrophobicContact CD1-CD1 3.88Å; F312-Y525 HydrophobicContact CD1-CE1 4.12Å; F312-Y525 HydrophobicContact CD1-CG 4.3Å; F312-Y525 AromaticContact CD2-CD1 3.88Å; F312-Y525 HydrophobicContact CD2-CD1 3.88Å; F312-Y525 AromaticContact CD2-CG 3.96Å; F312-Y525 HydrophobicContact CD2-CG 3.96Å; F312-Y525 AromaticContact CE1-CD1 3.81Å; F312-Y525 HydrophobicContact CE1-CD1 3.81Å; F312-Y525 AromaticContact CE1-CE1 3.96Å; F312-Y525 HydrophobicContact CE1-CE1 3.96Å; F312-Y525 AromaticContact CE2-CD1 3.79Å; F312-Y525 HydrophobicContact CE2-CD1 3.79Å; F312-Y525 HydrophobicContact CE2-CG 4.3Å; F312-Y525 AromaticContact CG-CD1 3.96Å; F312-Y525 HydrophobicContact CG-CD1 3.96Å; F312-Y525 AromaticContact CG-CG 3.99Å; F312-Y525 HydrophobicContact CG-CG 3.99Å; F312-Y525 AromaticContact CZ-CD1 3.78Å; F312-Y525 HydrophobicContact CZ-CD1 3.78Å; F312-Y525 HydrophobicContact CZ-CE1 4.27Å; F312-W565 HydrophobicContact CE1-CZ3 4.46Å; F312-W565 AromaticContact CE2-CE3 3.97Å; F312-W565 HydrophobicContact CE2-CE3 3.97Å; F312-W565 AromaticContact CE2-CZ3 3.87Å; F312-W565 HydrophobicContact CE2-CZ3 3.87Å; F312-W565 AromaticContact CZ-CD2 3.93Å; F312-W565 HydrophobicContact CZ-CD2 3.93Å; F312-W565 AromaticContact CZ-CE3 3.44Å; F312-W565 HydrophobicContact CZ-CE3 3.44Å; F312-W565 VanDerWaalsContact CZ-CE3 3.44Å; F312-W565 AromaticContact CZ-CH2 3.83Å; F312-W565 HydrophobicContact CZ-CH2 3.83Å; F312-W565 HydrophobicContact CZ-CZ2 4.29Å; F312-W565 AromaticContact CZ-CZ3 3.39Å; F312-W565 HydrophobicContact CZ-CZ3 3.39Å; F312-W569 AromaticContact CE2-CD1 3.79Å; F312-W569 AromaticContact CE2-NE1 3.89Å |
| 313 | R | 47.2 | Very low | 45.4 | Very low | 135 Ų | 135 | 66.8 Ų | 66.8 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 111.1 | -177.3 | -173 | 179.7 | -72.7 | 140.8 | 10.5 | 110.2 | I308 N309 D310 | I308-R313 HydrophobicContact CG2-CB 4.19Å; N309-R313 PolarHBondContact O-N 2.93Å; D310-R313 IonicContact OD1-CZ 3.57Å; D310-R313 IonicContact OD1-NH1 3.41Å; D310-R313 PolarHBondContact OD1-NH1 2.88Å; D310-R313 IonicContact OD1-NH2 2.81Å; D310-R313 PolarHBondContact OD1-NH2 2.81Å; D310-R313 IonicContact OD2-CZ 2.7Å; D310-R313 IonicContact OD2-NH1 3.9Å; D310-R313 PolarHBondContact OD2-NH1 3.43Å; D310-R313 IonicContact OD2-NH2 3.53Å |
| 314 | G | 44.2 | Very low | 47.3 | Very low | 80 Ų | 80 | 57 Ų | 57 | 83% | 0.825 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 0.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F312 | F312-G314 PolarHBondContact O-N 2.93Š|
| 315 | M | 49.3 | Very low | 48.9 | Very low | 44 Ų | 44 | 52.9 Ų | 52.9 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | trans | -72.7 | 137.5 | 167.3 | -82.8 | -166.1 | -76.2 | 0 | 0 | 109.8 | R311 F312 D319 M320 F323 | R311-M315 WeakPolarHBondContact O-CE 3.29Å; F312-M315 HydrophobicContact CB-CE 4.26Å; F312-M315 HydrophobicContact CD1-CE 3.41Å; F312-M315 VanDerWaalsContact CD1-CE 3.41Å; F312-M315 HydrophobicContact CE1-CE 4.08Å; F312-M315 HydrophobicContact CG-CE 4.2Å; F312-M315 PolarHBondContact O-N 3.47Å; M315-D319 HydrophobicContact CB-CB 4.03Å; M315-D319 HydrophobicContact CG-CB 4.02Å; M315-D319 HydrophobicContact SD-CB 4.26Å; M315-M320 HydrophobicContact CB-CE 4Å; M315-M320 HydrophobicContact CB-CG 3.8Å; M315-M320 HydrophobicContact CE-CG 4.44Å; M315-M320 WeakPolarHBondContact O-CE 3.25Å; M315-M320 HydrophobicContact SD-CG 4.45Å; M315-F323 HydrophobicContact SD-CB 4.43Å | ||
| 316 | S | 47.2 | Very low | 50.1 | Low | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | trans | -71 | 163 | 165.2 | 69 | 0 | 0 | 0 | 0 | 110.2 | A318 D319 M320 | S316-A318 PolarHBondContact O-N 3.12Å; S316-D319 WeakPolarHBondContact CB-OD2 3.49Å; S316-D319 PolarHBondContact N-OD2 3.4Å; S316-D319 VanDerWaalsContact N-OD2 3.08Å; S316-D319 PolarHBondContact O-N 3.31Å; S316-D319 VanDerWaalsContact O-N 3.17Å; S316-D319 PolarHBondContact OG-N 3.35Å; S316-D319 PolarHBondContact OG-OD2 3.32Å; S316-M320 VanDerWaalsContact O-CG 3.3Å; S316-M320 WeakPolarHBondContact O-CG 3.42Å; S316-M320 PolarHBondContact O-N 3.07Å | ||
| 317 | L | 51.9 | Low | 50.9 | Low | 24 Ų | 24 | 43.6 Ų | 43.6 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.6 | -36 | 173.7 | -176.4 | 68.5 | 0 | 0 | 0 | 111.7 | P82 E86 Y87 M320 K321 I538 A540 | P82-L317 HydrophobicContact CB-CB 4.39Å; P82-L317 HydrophobicContact CB-CD2 3.67Å; P82-L317 HydrophobicContact CG-CD2 4.27Å; E86-L317 HydrophobicContact CB-CD2 4.05Å; Y87-L317 HydrophobicContact CD1-CD2 3.73Å; Y87-L317 HydrophobicContact CE1-CD2 3.26Å; L317-M320 WeakPolarHBondContact O-CB 3.31Å; L317-M320 PolarHBondContact O-N 3.31Å; L317-K321 HydrophobicContact CG-CD 4.34Å; L317-K321 WeakPolarHBondContact O-CG 3.46Å; L317-K321 PolarHBondContact O-N 2.96Å; L317-I538 HydrophobicContact CD1-CD1 3.88Å; L317-I538 HydrophobicContact CD2-CD1 4.24Å; L317-A540 HydrophobicContact CD1-CB 4.39Å |
| 318 | A | 51.5 | Low | 51.4 | Low | 43 Ų | 43 | 45.7 Ų | 45.7 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S316 M320 K321 A322 | S316-A318 PolarHBondContact O-N 3.12Å; A318-M320 VanDerWaalsContact C-N 3.28Å; A318-M320 PolarHBondContact O-N 3.1Å; A318-K321 PolarHBondContact O-N 2.87Å; A318-A322 WeakPolarHBondContact O-CB 3.47Å; A318-A322 PolarHBondContact O-N 3.28Å |
| 319 | D | 52.8 | Low | 51.6 | Low | 71 Ų | 71 | 48.9 Ų | 48.9 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 173.9 | -61.6 | -45.7 | 0 | 0 | 0 | 111 | M315 S316 A322 F323 | M315-D319 HydrophobicContact CB-CB 4.03Å; M315-D319 HydrophobicContact CG-CB 4.02Å; M315-D319 HydrophobicContact SD-CB 4.26Å; S316-D319 WeakPolarHBondContact CB-OD2 3.49Å; S316-D319 PolarHBondContact N-OD2 3.4Å; S316-D319 VanDerWaalsContact N-OD2 3.08Å; S316-D319 PolarHBondContact O-N 3.31Å; S316-D319 VanDerWaalsContact O-N 3.17Å; S316-D319 PolarHBondContact OG-N 3.35Å; S316-D319 PolarHBondContact OG-OD2 3.32Å; D319-A322 PolarHBondContact O-N 3.22Å; D319-F323 WeakPolarHBondContact O-CB 3.39Å; D319-F323 PolarHBondContact O-N 3.36Å |
| 320 | M | 58.8 | Low | 51.4 | Low | 25 Ų | 25 | 51.9 Ų | 51.9 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 177.2 | -67.2 | -179.5 | -152.3 | 0 | 0 | 111.8 | M315 S316 L317 A318 F323 L324 Y525 | M315-M320 HydrophobicContact CB-CE 4Å; M315-M320 HydrophobicContact CB-CG 3.8Å; M315-M320 HydrophobicContact CE-CG 4.44Å; M315-M320 WeakPolarHBondContact O-CE 3.25Å; M315-M320 HydrophobicContact SD-CG 4.45Å; S316-M320 VanDerWaalsContact O-CG 3.3Å; S316-M320 WeakPolarHBondContact O-CG 3.42Å; S316-M320 PolarHBondContact O-N 3.07Å; L317-M320 WeakPolarHBondContact O-CB 3.31Å; L317-M320 PolarHBondContact O-N 3.31Å; A318-M320 VanDerWaalsContact C-N 3.28Å; A318-M320 PolarHBondContact O-N 3.1Å; M320-F323 CarbonylContact O-C 3.02Å; M320-F323 WeakPolarHBondContact O-CB 3.4Å; M320-F323 PolarHBondContact O-N 2.7Å; M320-L324 VanDerWaalsContact O-CG 3.32Å; M320-L324 WeakPolarHBondContact O-CG 3.38Å; M320-L324 PolarHBondContact O-N 3.45Å; M320-Y525 HydrophobicContact CE-CE2 4.48Å; M320-Y525 HydrophobicContact SD-CD2 4.05Å; M320-Y525 HydrophobicContact SD-CE2 3.26Å; M320-Y525 WeakPolarHBondContact SD-CE2 3.16Å |
| 321 | K | 59.9 | Low | 50.8 | Low | 65 Ų | 65 | 55.9 Ų | 55.9 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 174.9 | -80.3 | 159 | 162.1 | -103.9 | 0 | 112.6 | E86 L317 A318 F323 L324 G325 A540 | E86-K321 VanDerWaalsContact C-NZ 3.28Å; E86-K321 HydrophobicContact CB-CD 4.31Å; E86-K321 HydrophobicContact CG-CD 4.47Å; E86-K321 WeakPolarHBondContact O-CE 3.46Å; E86-K321 PolarHBondContact O-NZ 2.81Å; L317-K321 HydrophobicContact CG-CD 4.34Å; L317-K321 WeakPolarHBondContact O-CG 3.46Å; L317-K321 PolarHBondContact O-N 2.96Å; A318-K321 PolarHBondContact O-N 2.87Å; K321-F323 PolarHBondContact O-N 2.82Å; K321-L324 PolarHBondContact O-N 3.09Å; K321-G325 PolarHBondContact O-N 3.26Å; K321-A540 WeakPolarHBondContact CG-O 3.45Å |
| 322 | A | 56.3 | Low | 50 | Low | 43 Ų | 43 | 59.1 Ų | 59.1 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | A318 D319 G376 P397 | A318-A322 WeakPolarHBondContact O-CB 3.47Å; A318-A322 PolarHBondContact O-N 3.28Å; D319-A322 PolarHBondContact O-N 3.22Å; A322-G376 VanDerWaalsContact O-CA 3.24Å; A322-G376 WeakPolarHBondContact O-CA 3.14Å; A322-P397 HydrophobicContact CB-CB 4.13Å; A322-P397 HydrophobicContact CB-CG 4.38Å |
| 323 | F | 58.8 | Low | 49.1 | Very low | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.5 | -41.4 | 175.8 | 176.6 | -87.5 | 0 | 0 | 0 | 113.3 | F312 M315 D319 M320 K321 G325 Q372 S373 W565 | F312-F323 HydrophobicContact CE1-CD1 4.42Å; F312-F323 HydrophobicContact CE1-CE1 4.11Å; M315-F323 HydrophobicContact SD-CB 4.43Å; D319-F323 WeakPolarHBondContact O-CB 3.39Å; D319-F323 PolarHBondContact O-N 3.36Å; M320-F323 CarbonylContact O-C 3.02Å; M320-F323 WeakPolarHBondContact O-CB 3.4Å; M320-F323 PolarHBondContact O-N 2.7Å; K321-F323 PolarHBondContact O-N 2.82Å; F323-G325 VanDerWaalsContact C-N 3.26Å; F323-G325 PolarHBondContact O-N 3.36Å; F323-Q372 HydrophobicContact CE2-CG 3.91Å; F323-Q372 HydrophobicContact CZ-CG 3.75Å; F323-Q372 PolarHBondContact O-NE2 2.01Å; F323-S373 WeakPolarHBondContact CE2-O 3.45Å; F323-W565 AromaticContact CE1-CD1 3.72Å; F323-W565 HydrophobicContact CE1-CD2 4.38Å; F323-W565 AromaticContact CE1-CE2 3.85Å; F323-W565 HydrophobicContact CE1-CG 4.33Å; F323-W565 HydrophobicContact CE1-CZ2 4.43Å; F323-W565 AromaticContact CE1-NE1 3.42Å; F323-W565 AromaticContact CZ-CD1 3.68Å; F323-W565 HydrophobicContact CZ-CG 4.27Å; F323-W565 AromaticContact CZ-NE1 3.89Å |
| 324 | L | 63.5 | Low | 48.5 | Very low | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.5 | -20.8 | -176.6 | -69.4 | 177.8 | 0 | 0 | 0 | 114.5 | M320 K321 V326 C378 V520 A540 Y542 H543 W565 | M320-L324 VanDerWaalsContact O-CG 3.32Å; M320-L324 WeakPolarHBondContact O-CG 3.38Å; M320-L324 PolarHBondContact O-N 3.45Å; K321-L324 PolarHBondContact O-N 3.09Å; L324-V326 VanDerWaalsContact C-N 3.27Å; L324-V326 PolarHBondContact O-N 3.36Å; L324-V326 VanDerWaalsContact O-N 3.08Å; L324-C378 PolarHBondContact O-SG 2.65Å; L324-V520 HydrophobicContact CD1-CB 3.84Å; L324-V520 HydrophobicContact CD1-CG1 3.91Å; L324-V520 HydrophobicContact CD1-CG2 4.44Å; L324-V520 HydrophobicContact CD2-CB 4.29Å; L324-V520 HydrophobicContact CD2-CG1 4.1Å; L324-V520 HydrophobicContact CD2-CG2 4.14Å; L324-A540 HydrophobicContact CD1-CB 3.83Å; L324-A540 WeakPolarHBondContact CD1-O 3.36Å; L324-Y542 VanDerWaalsContact O-O 3.12Å; L324-H543 HydrophobicContact CD2-CB 4.16Å; L324-H543 PolarHBondContact O-ND1 3.23Å; L324-W565 HydrophobicContact CD2-CH2 4.41Å; L324-W565 HydrophobicContact CD2-CZ2 3.7Å |
| 325 | G | 56.9 | Low | 47.8 | Very low | 21 Ų | 21 | 65.3 Ų | 65.3 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | trans | 71.4 | 1.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | K321 F323 G376 C378 | K321-G325 PolarHBondContact O-N 3.26Å; F323-G325 VanDerWaalsContact C-N 3.26Å; F323-G325 PolarHBondContact O-N 3.36Å; G325-G376 WeakPolarHBondContact CA-O 2.98Å; G325-C378 VanDerWaalsContact CA-SG 3.58Å | ||
| 326 | V | 51.2 | Low | 47.1 | Very low | 31 Ų | 31 | 68 Ų | 68 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -118 | 120.9 | 174.6 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | L324 C378 Y542 | L324-V326 VanDerWaalsContact C-N 3.27Å; L324-V326 PolarHBondContact O-N 3.36Å; L324-V326 VanDerWaalsContact O-N 3.08Å; V326-C378 HydrophobicContact CG2-CB 4.06Å; V326-Y542 WeakPolarHBondContact CB-O 3.01Å |
| 327 | S | 46.8 | Very low | 46.5 | Very low | 57 Ų | 57 | 72.1 Ų | 72.1 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | trans | -102.9 | 144.2 | 174 | 93.3 | 0 | 0 | 0 | 0 | 110.7 | T330 | S327-T330 PolarHBondContact OG-OG1 3.11Š| ||
| 328 | K | 44.5 | Very low | 46.2 | Very low | 65 Ų | 65 | 75 Ų | 75 | 28% | 0.283 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -69.7 | -36.8 | 179.7 | -167.1 | -177.8 | 174.5 | -171 | 0 | 112.5 | T330 F331 E332 Y542 | K328-T330 PolarHBondContact O-N 2.85Å; K328-F331 PolarHBondContact O-N 2.94Å; K328-E332 WeakPolarHBondContact CE-OE1 3.23Å; K328-E332 IonicContact NZ-OE1 2.69Å; K328-Y542 HydrophobicContact CB-CD2 4.41Å; K328-Y542 HydrophobicContact CB-CE2 3.8Å; K328-Y542 HydrophobicContact CD-CE2 4.38Å; K328-Y542 HydrophobicContact CG-CE2 4.25Å |
| 329 | E | 42.2 | Very low | 46.2 | Very low | 155 Ų | 155 | 78.5 Ų | 78.5 | 72% | 0.724 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.9 | -29.7 | -174.7 | -68.8 | 166.7 | -177.9 | 0 | 0 | 112.4 | F331 | E329-F331 VanDerWaalsContact C-N 3.25Å; E329-F331 PolarHBondContact O-N 3.4Å |
| 330 | T | 41 | Very low | 46.4 | Very low | 83 Ų | 83 | 78.5 Ų | 78.5 | 51% | 0.509 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.4 | -14.9 | 177.5 | -30.8 | 0 | 0 | 0 | 0 | 113.7 | S327 K328 S334 | S327-T330 PolarHBondContact OG-OG1 3.11Å; K328-T330 PolarHBondContact O-N 2.85Å; T330-S334 VanDerWaalsContact O-CB 3.32Å; T330-S334 WeakPolarHBondContact O-CB 3.4Å; T330-S334 PolarHBondContact O-OG 3.47Å |
| 331 | F | 36.6 | Very low | 46.7 | Very low | 111 Ų | 111 | 79 Ų | 79 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -97.9 | -36.5 | -174.8 | -103.8 | -86.6 | 0 | 0 | 0 | 113.9 | K328 E329 S334 | K328-F331 PolarHBondContact O-N 2.94Å; E329-F331 VanDerWaalsContact C-N 3.25Å; E329-F331 PolarHBondContact O-N 3.4Å; F331-S334 PolarHBondContact O-OG 2.74Å |
| 332 | E | 36.9 | Very low | 46.8 | Very low | 126 Ų | 126 | 79.8 Ų | 79.8 | 59% | 0.589 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -83.4 | -33.3 | -176 | -71.5 | 179.1 | -179.1 | 0 | 0 | 112.9 | K328 S334 | K328-E332 WeakPolarHBondContact CE-OE1 3.23Å; K328-E332 IonicContact NZ-OE1 2.69Å; E332-S334 VanDerWaalsContact C-N 3.31Å; E332-S334 PolarHBondContact O-N 2.97Å |
| 333 | D | 33 | Very low | 46.9 | Very low | 145 Ų | 145 | 82.1 Ų | 82.1 | 78% | 0.775 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -86.4 | -3.3 | -179.5 | -71 | -24.8 | 0 | 0 | 0 | 113.7 | N335 | D333-N335 PolarHBondContact O-N 3.47Š|
| 334 | S | 34.8 | Very low | 46.6 | Very low | 43 Ų | 43 | 88.1 Ų | 88.1 | 30% | 0.301 | 47% | 0.468 | S | S | . | . | trans | -88.1 | 104.1 | -175.2 | 85.8 | 0 | 0 | 0 | 0 | 108.7 | T330 F331 E332 F336 | T330-S334 VanDerWaalsContact O-CB 3.32Å; T330-S334 WeakPolarHBondContact O-CB 3.4Å; T330-S334 PolarHBondContact O-OG 3.47Å; F331-S334 PolarHBondContact O-OG 2.74Å; E332-S334 VanDerWaalsContact C-N 3.31Å; E332-S334 PolarHBondContact O-N 2.97Å; S334-F336 VanDerWaalsContact CB-CD2 3.41Å; S334-F336 PolarHBondContact O-N 2.98Å | ||
| 335 | N | 30.4 | Very low | 46.2 | Very low | 164 Ų | 164 | 91.1 Ų | 91.1 | 88% | 0.877 | 49% | 0.489 | S | S | * | . | trans | -69.2 | 36.1 | 179.2 | -118.7 | -1.3 | 0 | 0 | 0 | 112.9 | D333 | D333-N335 PolarHBondContact O-N 3.47Š| ||
| 336 | F | 34.1 | Very low | 46.2 | Very low | 101 Ų | 101 | 95.2 Ų | 95.2 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | trans | -85.8 | 112.8 | -177.2 | -73.4 | -93.3 | 0 | 0 | 0 | 110.8 | S334 I338 | S334-F336 VanDerWaalsContact CB-CD2 3.41Å; S334-F336 PolarHBondContact O-N 2.98Å; F336-I338 PolarHBondContact O-N 3.33Å | ||
| 337 | T | 34.9 | Very low | 47 | Very low | 132 Ų | 132 | 96.2 Ų | 96.2 | 81% | 0.81 | 53% | 0.527 | S | S | * | . | trans | -83.6 | 81 | 167.6 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 338 | I | 46.1 | Very low | 48.6 | Very low | 83 Ų | 83 | 99 Ų | 99 | 43% | 0.426 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 131.4 | 164.6 | -62.5 | 174.3 | 0 | 0 | 0 | 107.8 | F336 T340 R496 | F336-I338 PolarHBondContact O-N 3.33Å; I338-T340 PolarHBondContact O-N 3.41Å; I338-R496 HydrophobicContact CG2-CB 4.24Å |
| 339 | E | 51.6 | Low | 50.6 | Low | 118 Ų | 118 | 98.3 Ų | 98.3 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 126.2 | 176.1 | -169.9 | 178.6 | 131.4 | 0 | 0 | 110.4 | R493 R496 | E339-R493 IonicContact OE1-CZ 3.87Å; E339-R493 IonicContact OE1-NH2 2.81Å; E339-R493 PolarHBondContact OE1-NH2 2.93Å; E339-R493 IonicContact OE2-CZ 2.74Å; E339-R493 IonicContact OE2-NH2 3.62Å; E339-R493 PolarHBondContact OE2-NH2 3.16Å; E339-R496 PolarHBondContact O-N 2.69Å |
| 340 | T | 56.9 | Low | 52.8 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 117.3 | 173.7 | -60.3 | 0 | 0 | 0 | 0 | 108.1 | I338 D342 R496 A498 | I338-T340 PolarHBondContact O-N 3.41Å; T340-D342 PolarHBondContact O-N 3.28Å; T340-R496 CarbonylContact C-O 3.15Å; T340-R496 WeakPolarHBondContact CA-O 3.42Å; T340-A498 HydrophobicContact CG2-CB 3.98Å |
| 341 | I | 65.1 | Low | 55.1 | Low | 35 Ų | 35 | 96.6 Ų | 96.6 | 18% | 0.179 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.8 | 173.5 | -56.2 | -178 | 0 | 0 | 0 | 107.6 | D343 Y495 R496 A498 | I341-D343 HydrophobicContact CG2-CB 4.17Å; I341-Y495 HydrophobicContact CD1-CD1 4.15Å; I341-Y495 HydrophobicContact CD1-CD2 3.43Å; I341-Y495 VanDerWaalsContact CD1-CD2 3.43Å; I341-Y495 HydrophobicContact CD1-CE1 4.48Å; I341-Y495 HydrophobicContact CD1-CE2 3.82Å; I341-Y495 HydrophobicContact CD1-CG 3.62Å; I341-Y495 HydrophobicContact CG1-CD2 4.01Å; I341-Y495 HydrophobicContact CG1-CG 4.27Å; I341-R496 PolarHBondContact N-O 3.39Å; I341-A498 PolarHBondContact O-N 2.04Å; I341-A498 VanDerWaalsContact O-N 3.14Å |
| 342 | D | 60.6 | Low | 57.6 | Low | 82 Ų | 82 | 97.1 Ų | 97.1 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | trans | -121 | 25.8 | 175.4 | -160.2 | 20.9 | 0 | 0 | 0 | 111.2 | T340 L344 A498 | T340-D342 PolarHBondContact O-N 3.28Å; D342-L344 WeakPolarHBondContact O-CG 3.25Å; D342-L344 PolarHBondContact O-N 3.5Å; D342-A498 HydrophobicContact CB-CB 3.89Å; D342-A498 VanDerWaalsContact OD1-CB 3.23Å; D342-A498 WeakPolarHBondContact OD1-CB 3.16Å | ||
| 343 | D | 58.1 | Low | 60.1 | Low | 93 Ų | 93 | 91.7 Ų | 91.7 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | trans | -62.8 | 101.3 | -170.4 | 176.2 | 23.8 | 0 | 0 | 0 | 113 | I341 S345 K506 | I341-D343 HydrophobicContact CG2-CB 4.17Å; D343-S345 VanDerWaalsContact C-N 3.26Å; D343-S345 VanDerWaalsContact CG-OG 3.25Å; D343-S345 PolarHBondContact O-N 3.35Å; D343-S345 WeakPolarHBondContact OD1-CB 3.38Å; D343-S345 PolarHBondContact OD1-N 2.92Å; D343-S345 PolarHBondContact OD1-OG 3.43Å; D343-S345 PolarHBondContact OD2-OG 3.16Å; D343-K506 PolarHBondContact O-NZ 3.06Å; D343-K506 IonicContact OD1-NZ 3.5Å; D343-K506 IonicContact OD2-NZ 3.46Å; D343-K506 PolarHBondContact OD2-NZ 2.99Å | ||
| 344 | L | 52.4 | Low | 62.8 | Low | 134 Ų | 134 | 86.2 Ų | 86.2 | 70% | 0.702 | 49% | 0.485 | S | S | * | . | trans | -74.7 | 7.9 | -179.5 | -67.5 | 169.8 | 0 | 0 | 0 | 115 | D342 A346 | D342-L344 WeakPolarHBondContact O-CG 3.25Å; D342-L344 PolarHBondContact O-N 3.5Å; L344-A346 PolarHBondContact O-N 3.33Å | ||
| 345 | S | 57 | Low | 64.9 | Low | 64 Ų | 64 | 84.1 Ų | 84.1 | 45% | 0.448 | 47% | 0.471 | S | S | . | . | trans | -63.4 | 129.2 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 112 | D343 V347 K506 | D343-S345 VanDerWaalsContact C-N 3.26Å; D343-S345 VanDerWaalsContact CG-OG 3.25Å; D343-S345 PolarHBondContact O-N 3.35Å; D343-S345 WeakPolarHBondContact OD1-CB 3.38Å; D343-S345 PolarHBondContact OD1-N 2.92Å; D343-S345 PolarHBondContact OD1-OG 3.43Å; D343-S345 PolarHBondContact OD2-OG 3.16Å; S345-V347 PolarHBondContact O-N 3.18Å; S345-K506 PolarHBondContact O-NZ 3.25Å; S345-K506 PolarHBondContact OG-NZ 2.9Å | ||
| 346 | A | 56.6 | Low | 67.2 | Low | 108 Ų | 108 | 80.6 Ų | 80.6 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | trans | -65.4 | 98.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L344 | L344-A346 PolarHBondContact O-N 3.33Š| ||
| 347 | V | 68.3 | Low | 69.4 | Low | 51 Ų | 51 | 80.8 Ų | 80.8 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | trans | -97.1 | 126.4 | 162.6 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | S345 L349 K506 Y509 | S345-V347 PolarHBondContact O-N 3.18Å; V347-L349 HydrophobicContact CG1-CD2 4.22Å; V347-L349 PolarHBondContact O-N 3.44Å; V347-L349 VanDerWaalsContact O-N 3.16Å; V347-K506 HydrophobicContact CG2-CD 4.21Å; V347-K506 HydrophobicContact CG2-CG 4.45Å; V347-Y509 HydrophobicContact CG1-CD1 4.36Å; V347-Y509 HydrophobicContact CG1-CE1 4.47Å | ||
| 348 | S | 79.4 | Confident | 71.6 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 81% | 0.811 | 44% | 0.439 | S | S | * | . | trans | -71.6 | 105.3 | 172 | 58 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 349 | L | 86.1 | Confident | 73.2 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | trans | -90.9 | 141.4 | -179.8 | -65.2 | 164.6 | 0 | 0 | 0 | 110.5 | V347 M505 Y509 W550 | V347-L349 HydrophobicContact CG1-CD2 4.22Å; V347-L349 PolarHBondContact O-N 3.44Å; V347-L349 VanDerWaalsContact O-N 3.16Å; L349-M505 HydrophobicContact CB-CE 4.34Å; L349-M505 HydrophobicContact CD1-CB 3.61Å; L349-M505 HydrophobicContact CD1-CE 4.35Å; L349-M505 HydrophobicContact CD1-SD 4.28Å; L349-Y509 HydrophobicContact CD2-CD1 4.01Å; L349-Y509 HydrophobicContact CD2-CG 3.86Å; L349-W550 HydrophobicContact CB-CZ2 4.47Å; L349-W550 HydrophobicContact CD2-CH2 4.42Å | ||
| 350 | P | 89.4 | Confident | 74.3 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | trans | -69.6 | 155.6 | 175.1 | 30.9 | -36.6 | 0 | 0 | 0 | 111.9 | E352 F353 Y509 W550 | P350-E352 VanDerWaalsContact C-N 3.28Å; P350-E352 WeakPolarHBondContact CB-O 3.38Å; P350-E352 WeakPolarHBondContact CG-O 3.37Å; P350-E352 PolarHBondContact O-N 3.42Å; P350-F353 HydrophobicContact CG-CB 4.3Å; P350-Y509 HydrophobicContact CG-CD2 4.49Å; P350-Y509 HydrophobicContact CG-CE2 4.15Å; P350-W550 HydrophobicContact CG-CZ2 4.03Å; P350-W550 PolarHBondContact O-NE1 2.71Å | ||
| 351 | E | 87.9 | Confident | 74.8 | Confident | 154 Ų | 154 | 80.3 Ų | 80.3 | 72% | 0.72 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -65.5 | -31.2 | 175.5 | -72.5 | -167.2 | 150.3 | 0 | 0 | 112.7 | W550 | E351-W550 VanDerWaalsContact O-CD1 3.25Å; E351-W550 PolarHBondContact O-NE1 2.9Å |
| 352 | E | 89.4 | Confident | 74.9 | Confident | 121 Ų | 121 | 81.1 Ų | 81.1 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -127.5 | 141.5 | 175.1 | -58 | -170.2 | 158.3 | 0 | 0 | 110.9 | P350 W550 | P350-E352 VanDerWaalsContact C-N 3.28Å; P350-E352 WeakPolarHBondContact CB-O 3.38Å; P350-E352 WeakPolarHBondContact CG-O 3.37Å; P350-E352 PolarHBondContact O-N 3.42Å; E352-W550 WeakPolarHBondContact CA-O 3.26Å |
| 353 | F | 90.8 | Very high | 74.9 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 6% | 0.057 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 135.3 | 178.2 | 179.9 | -102.9 | 0 | 0 | 0 | 111.3 | P350 A355 Q358 W359 L508 Y509 G549 W550 | P350-F353 HydrophobicContact CG-CB 4.3Å; F353-A355 HydrophobicContact CE1-CB 4.23Å; F353-Q358 HydrophobicContact CE2-CB 3.65Å; F353-Q358 HydrophobicContact CE2-CG 3.77Å; F353-Q358 HydrophobicContact CZ-CB 3.89Å; F353-Q358 HydrophobicContact CZ-CG 4.07Å; F353-W359 HydrophobicContact CE1-CH2 4.39Å; F353-W359 HydrophobicContact CE1-CZ3 4.11Å; F353-W359 AromaticContact CZ-CH2 3.69Å; F353-W359 HydrophobicContact CZ-CH2 3.69Å; F353-W359 AromaticContact CZ-CZ3 3.6Å; F353-W359 HydrophobicContact CZ-CZ3 3.6Å; F353-L508 HydrophobicContact CD1-CD2 4.23Å; F353-L508 HydrophobicContact CD1-CG 4.06Å; F353-L508 HydrophobicContact CE1-CD1 4.19Å; F353-L508 HydrophobicContact CE1-CD2 4.43Å; F353-L508 HydrophobicContact CE1-CG 3.81Å; F353-Y509 AromaticContact CD2-CD2 3.66Å; F353-Y509 HydrophobicContact CD2-CD2 3.66Å; F353-Y509 HydrophobicContact CD2-CE2 4.01Å; F353-Y509 AromaticContact CE2-CD2 3.52Å; F353-Y509 HydrophobicContact CE2-CD2 3.52Å; F353-Y509 AromaticContact CE2-CE2 3.92Å; F353-Y509 HydrophobicContact CE2-CE2 3.92Å; F353-Y509 HydrophobicContact CG-CD2 4.39Å; F353-Y509 HydrophobicContact CZ-CD2 4.17Å; F353-G549 CarbonylContact O-C 3.53Å; F353-G549 WeakPolarHBondContact O-CA 3.06Å; F353-W550 HydrophobicContact CB-CD2 3.65Å; F353-W550 HydrophobicContact CB-CE3 3.81Å; F353-W550 HydrophobicContact CB-CG 4.4Å; F353-W550 HydrophobicContact CB-CH2 3.43Å; F353-W550 VanDerWaalsContact CB-CH2 3.43Å; F353-W550 HydrophobicContact CB-CZ2 3.29Å; F353-W550 HydrophobicContact CB-CZ3 3.71Å; F353-W550 AromaticContact CD1-CE3 3.83Å; F353-W550 HydrophobicContact CD1-CE3 3.83Å; F353-W550 AromaticContact CD1-CH2 3.59Å; F353-W550 HydrophobicContact CD1-CH2 3.59Å; F353-W550 HydrophobicContact CD1-CZ2 4.36Å; F353-W550 AromaticContact CD1-CZ3 3.29Å; F353-W550 HydrophobicContact CD1-CZ3 3.29Å; F353-W550 HydrophobicContact CD2-CH2 4.2Å; F353-W550 HydrophobicContact CE1-CH2 4.41Å; F353-W550 HydrophobicContact CE1-CZ3 4.11Å; F353-W550 HydrophobicContact CG-CD2 4.49Å; F353-W550 HydrophobicContact CG-CE3 4.18Å; F353-W550 AromaticContact CG-CH2 3.47Å; F353-W550 HydrophobicContact CG-CH2 3.47Å; F353-W550 VanDerWaalsContact CG-CH2 3.47Å; F353-W550 AromaticContact CG-CZ2 3.86Å; F353-W550 HydrophobicContact CG-CZ2 3.86Å; F353-W550 AromaticContact CG-CZ3 3.67Å; F353-W550 HydrophobicContact CG-CZ3 3.67Å; F353-W550 PolarHBondContact N-O 2.88Å; F353-W550 PolarHBondContact O-N 2.69Å |
| 354 | D | 88.1 | Confident | 75 | Confident | 29 Ų | 29 | 82.3 Ų | 82.3 | 16% | 0.155 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 117.5 | 171.4 | -174.4 | -18.1 | 0 | 0 | 0 | 109.4 | R356 T357 Q358 L560 | D354-R356 PolarHBondContact O-N 3.49Å; D354-R356 VanDerWaalsContact OD1-CB 3.27Å; D354-R356 WeakPolarHBondContact OD1-CB 3.28Å; D354-R356 WeakPolarHBondContact OD1-CG 3.36Å; D354-R356 IonicContact OD1-CZ 2.65Å; D354-R356 PolarHBondContact OD1-N 2.86Å; D354-R356 IonicContact OD1-NE 2.89Å; D354-R356 PolarHBondContact OD1-NE 3.22Å; D354-R356 IonicContact OD1-NH2 3.56Å; D354-R356 IonicContact OD2-CZ 3.38Å; D354-R356 IonicContact OD2-NE 3.99Å; D354-R356 PolarHBondContact OD2-NE 2.68Å; D354-R356 IonicContact OD2-NH2 3.65Å; D354-R356 PolarHBondContact OD2-NH2 2.97Å; D354-T357 HydrophobicContact CB-CG2 4.26Å; D354-T357 PolarHBondContact O-N 3.36Å; D354-T357 PolarHBondContact O-OG1 2.69Å; D354-Q358 PolarHBondContact O-N 2.93Å; D354-Q358 VanDerWaalsContact O-N 3.13Å; D354-L560 HydrophobicContact CB-CD1 4.28Å |
| 355 | A | 79.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56.1 | -27.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F353 T357 W359 I366 P513 I548 | F353-A355 HydrophobicContact CE1-CB 4.23Å; A355-T357 VanDerWaalsContact C-N 3.34Å; A355-W359 HydrophobicContact CB-CE3 3.66Å; A355-W359 HydrophobicContact CB-CZ3 3.53Å; A355-W359 VanDerWaalsContact O-CE3 3.3Å; A355-W359 PolarHBondContact O-N 3.31Å; A355-I366 HydrophobicContact CB-CD1 4.11Å; A355-I366 HydrophobicContact CB-CG2 4.16Å; A355-P513 HydrophobicContact CB-CG 4.17Å; A355-I548 HydrophobicContact CB-CB 4.43Å; A355-I548 WeakPolarHBondContact CB-O 3.07Å; A355-I548 PolarHBondContact N-O 3.07Å |
| 356 | R | 79.4 | Confident | 75.7 | Confident | 90 Ų | 90 | 77.2 Ų | 77.2 | 34% | 0.34 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.6 | -30.7 | 178.9 | -59.7 | 170.2 | -69.2 | -174 | 0.9 | 112.4 | D354 A363 I366 S367 | D354-R356 PolarHBondContact O-N 3.49Å; D354-R356 VanDerWaalsContact OD1-CB 3.27Å; D354-R356 WeakPolarHBondContact OD1-CB 3.28Å; D354-R356 WeakPolarHBondContact OD1-CG 3.36Å; D354-R356 IonicContact OD1-CZ 2.65Å; D354-R356 PolarHBondContact OD1-N 2.86Å; D354-R356 IonicContact OD1-NE 2.89Å; D354-R356 PolarHBondContact OD1-NE 3.22Å; D354-R356 IonicContact OD1-NH2 3.56Å; D354-R356 IonicContact OD2-CZ 3.38Å; D354-R356 IonicContact OD2-NE 3.99Å; D354-R356 PolarHBondContact OD2-NE 2.68Å; D354-R356 IonicContact OD2-NH2 3.65Å; D354-R356 PolarHBondContact OD2-NH2 2.97Å; R356-A363 HydrophobicContact CB-CB 4.24Å; R356-A363 WeakPolarHBondContact O-CB 3.38Å; R356-I366 HydrophobicContact CG-CB 4.01Å; R356-I366 HydrophobicContact CG-CG2 3.58Å; R356-S367 WeakPolarHBondContact CD-OG 3.32Å |
| 357 | T | 80.3 | Confident | 76.4 | Confident | 105 Ų | 105 | 74.9 Ų | 74.9 | 64% | 0.644 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -84.9 | -36.5 | 177.3 | 60.7 | 0 | 0 | 0 | 0 | 110.8 | D354 A355 | D354-T357 HydrophobicContact CB-CG2 4.26Å; D354-T357 PolarHBondContact O-N 3.36Å; D354-T357 PolarHBondContact O-OG1 2.69Å; A355-T357 VanDerWaalsContact C-N 3.34Å |
| 358 | Q | 80.6 | Confident | 76.1 | Confident | 100 Ų | 100 | 76.4 Ų | 76.4 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 177.6 | -174.5 | 63.2 | 33 | 0 | 0 | 112.9 | F353 D354 | F353-Q358 HydrophobicContact CE2-CB 3.65Å; F353-Q358 HydrophobicContact CE2-CG 3.77Å; F353-Q358 HydrophobicContact CZ-CB 3.89Å; F353-Q358 HydrophobicContact CZ-CG 4.07Å; D354-Q358 PolarHBondContact O-N 2.93Å; D354-Q358 VanDerWaalsContact O-N 3.13Å |
| 359 | W | 79.5 | Confident | 75.4 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 70 | 178.6 | -59.8 | -72.3 | 0 | 0 | 0 | 110.2 | F353 A355 E361 C362 A363 I366 L508 Y509 G512 | F353-W359 HydrophobicContact CE1-CH2 4.39Å; F353-W359 HydrophobicContact CE1-CZ3 4.11Å; F353-W359 AromaticContact CZ-CH2 3.69Å; F353-W359 HydrophobicContact CZ-CH2 3.69Å; F353-W359 AromaticContact CZ-CZ3 3.6Å; F353-W359 HydrophobicContact CZ-CZ3 3.6Å; A355-W359 HydrophobicContact CB-CE3 3.66Å; A355-W359 HydrophobicContact CB-CZ3 3.53Å; A355-W359 VanDerWaalsContact O-CE3 3.3Å; A355-W359 PolarHBondContact O-N 3.31Å; W359-E361 PolarHBondContact O-N 3.19Å; W359-C362 HydrophobicContact CB-CB 4.05Å; W359-C362 CarbonylContact O-C 3.39Å; W359-C362 WeakPolarHBondContact O-CA 3.43Å; W359-C362 PolarHBondContact O-N 3.37Å; W359-A363 PolarHBondContact O-N 3.41Å; W359-A363 VanDerWaalsContact O-N 3.11Å; W359-I366 HydrophobicContact CB-CD1 4.3Å; W359-I366 HydrophobicContact CE3-CD1 4.38Å; W359-L508 VanDerWaalsContact CH2-O 3.3Å; W359-L508 WeakPolarHBondContact CH2-O 3.13Å; W359-Y509 WeakPolarHBondContact CH2-O 3.47Å; W359-Y509 WeakPolarHBondContact CZ2-O 3.44Å; W359-G512 VanDerWaalsContact CH2-CA 3.45Å |
| 360 | S | 74.2 | Confident | 74.1 | Confident | 87 Ų | 87 | 72 Ų | 72 | 61% | 0.608 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -55.5 | -34.9 | -174.7 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | C362 A363 | S360-C362 PolarHBondContact O-N 3.1Å; S360-A363 WeakPolarHBondContact O-CB 3.35Å; S360-A363 PolarHBondContact O-N 3.28Å |
| 361 | E | 67.6 | Low | 72.5 | Confident | 148 Ų | 148 | 71.7 Ų | 71.7 | 69% | 0.692 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -67.3 | -22.7 | 174.9 | 64.2 | -82 | -176.7 | 0 | 0 | 113.6 | W359 | W359-E361 PolarHBondContact O-N 3.19Š|
| 362 | C | 67 | Low | 70.8 | Confident | 51 Ų | 51 | 65.2 Ų | 65.2 | 35% | 0.345 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -100.6 | 0.2 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | W359 S360 E364 L365 I366 | W359-C362 HydrophobicContact CB-CB 4.05Å; W359-C362 CarbonylContact O-C 3.39Å; W359-C362 WeakPolarHBondContact O-CA 3.43Å; W359-C362 PolarHBondContact O-N 3.37Å; S360-C362 PolarHBondContact O-N 3.1Å; C362-E364 VanDerWaalsContact C-N 3.28Å; C362-E364 PolarHBondContact O-N 2.85Å; C362-L365 WeakPolarHBondContact O-CB 3.05Å; C362-L365 PolarHBondContact O-N 2.89Å; C362-I366 HydrophobicContact CB-CD1 3.77Å; C362-I366 HydrophobicContact CB-CG1 4.2Å; C362-I366 WeakPolarHBondContact O-CG1 3.05Å; C362-I366 PolarHBondContact O-N 3.21Å |
| 363 | A | 60.9 | Low | 69 | Low | 25 Ų | 25 | 61.4 Ų | 61.4 | 21% | 0.207 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.8 | -40.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R356 W359 S360 L365 I366 S367 | R356-A363 HydrophobicContact CB-CB 4.24Å; R356-A363 WeakPolarHBondContact O-CB 3.38Å; W359-A363 PolarHBondContact O-N 3.41Å; W359-A363 VanDerWaalsContact O-N 3.11Å; S360-A363 WeakPolarHBondContact O-CB 3.35Å; S360-A363 PolarHBondContact O-N 3.28Å; A363-L365 PolarHBondContact O-N 3.21Å; A363-I366 PolarHBondContact O-N 3.27Å; A363-S367 WeakPolarHBondContact O-CB 3.43Å; A363-S367 PolarHBondContact O-N 2.93Å; A363-S367 PolarHBondContact O-OG 3.2Å |
| 364 | E | 61 | Low | 67 | Low | 175 Ų | 175 | 66.9 Ų | 66.9 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 176.1 | -68.9 | -166.5 | 166.5 | 0 | 0 | 111.9 | C362 S367 I368 | C362-E364 VanDerWaalsContact C-N 3.28Å; C362-E364 PolarHBondContact O-N 2.85Å; E364-S367 PolarHBondContact O-N 3.23Å; E364-I368 WeakPolarHBondContact O-CG1 3.45Å; E364-I368 PolarHBondContact O-N 2.86Å |
| 365 | L | 60.5 | Low | 64.9 | Low | 79 Ų | 79 | 66.7 Ų | 66.7 | 41% | 0.414 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -44.4 | -179.9 | -173.3 | 72 | 0 | 0 | 0 | 111.6 | C362 A363 S367 I368 P384 | C362-L365 WeakPolarHBondContact O-CB 3.05Å; C362-L365 PolarHBondContact O-N 2.89Å; A363-L365 PolarHBondContact O-N 3.21Å; L365-S367 PolarHBondContact O-N 2.03Å; L365-I368 HydrophobicContact CD1-CD1 4.18Å; L365-I368 PolarHBondContact O-N 3.41Å; L365-P384 HydrophobicContact CD1-CB 4.02Å; L365-P384 HydrophobicContact CD2-CB 3.94Å; L365-P384 HydrophobicContact CD2-CG 4.46Å; L365-P384 HydrophobicContact CG-CB 4.14Å |
| 366 | I | 63.1 | Low | 63.2 | Low | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 178.7 | -63 | 166 | 0 | 0 | 0 | 110.7 | A355 R356 W359 C362 A363 I368 P513 R546 I548 | A355-I366 HydrophobicContact CB-CD1 4.11Å; A355-I366 HydrophobicContact CB-CG2 4.16Å; R356-I366 HydrophobicContact CG-CB 4.01Å; R356-I366 HydrophobicContact CG-CG2 3.58Å; W359-I366 HydrophobicContact CB-CD1 4.3Å; W359-I366 HydrophobicContact CE3-CD1 4.38Å; C362-I366 HydrophobicContact CB-CD1 3.77Å; C362-I366 HydrophobicContact CB-CG1 4.2Å; C362-I366 WeakPolarHBondContact O-CG1 3.05Å; C362-I366 PolarHBondContact O-N 3.21Å; A363-I366 PolarHBondContact O-N 3.27Å; I366-I368 VanDerWaalsContact C-N 3.31Å; I366-I368 PolarHBondContact O-N 2.92Å; I366-P513 HydrophobicContact CG1-CG 4.25Å; I366-P513 HydrophobicContact CG2-CG 4.16Å; I366-R546 PolarHBondContact O-NH2 3.38Å; I366-I548 HydrophobicContact CG2-CB 4.16Å; I366-I548 HydrophobicContact CG2-CG2 3.87Å |
| 367 | S | 70.6 | Confident | 61.5 | Low | 58 Ų | 58 | 65.4 Ų | 65.4 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.1 | 179.5 | -59.9 | 0 | 0 | 0 | 0 | 114.3 | R356 A363 E364 L365 I369 | R356-S367 WeakPolarHBondContact CD-OG 3.32Å; A363-S367 WeakPolarHBondContact O-CB 3.43Å; A363-S367 PolarHBondContact O-N 2.93Å; A363-S367 PolarHBondContact O-OG 3.2Å; E364-S367 PolarHBondContact O-N 3.23Å; L365-S367 PolarHBondContact O-N 2.03Å; S367-I369 PolarHBondContact O-N 2.72Å; S367-I369 VanDerWaalsContact O-N 3.13Å |
| 368 | I | 62.1 | Low | 59.3 | Low | 83 Ų | 83 | 60.5 Ų | 60.5 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | trans | -67.3 | 113.7 | 179 | -60.5 | -179.9 | 0 | 0 | 0 | 110.2 | E364 L365 I366 R546 | E364-I368 WeakPolarHBondContact O-CG1 3.45Å; E364-I368 PolarHBondContact O-N 2.86Å; L365-I368 HydrophobicContact CD1-CD1 4.18Å; L365-I368 PolarHBondContact O-N 3.41Å; I366-I368 VanDerWaalsContact C-N 3.31Å; I366-I368 PolarHBondContact O-N 2.92Å; I368-R546 PolarHBondContact O-NH2 2.81Å | ||
| 369 | I | 65.4 | Low | 57.3 | Low | 41 Ų | 41 | 65.1 Ų | 65.1 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | trans | -85.1 | 121 | 166.5 | -56.6 | -55.3 | 0 | 0 | 0 | 108.4 | S367 A562 N563 G566 T567 N572 | S367-I369 PolarHBondContact O-N 2.72Å; S367-I369 VanDerWaalsContact O-N 3.13Å; I369-A562 HydrophobicContact CD1-CB 3.74Å; I369-N563 WeakPolarHBondContact CG2-O 3.23Å; I369-G566 WeakPolarHBondContact CG2-O 3.2Å; I369-T567 HydrophobicContact CB-CG2 4.46Å; I369-N572 WeakPolarHBondContact CG1-ND2 3.21Å | ||
| 370 | K | 58 | Low | 55.2 | Low | 33 Ų | 33 | 64.2 Ų | 64.2 | 14% | 0.143 | 35% | 0.347 | C | S | . | . | trans | -83.9 | 160.1 | 178.2 | -66 | -168.1 | 177.7 | -166 | 0 | 111 | N380 V383 G386 S564 W565 G566 | K370-N380 PolarHBondContact NZ-O 3.31Å; K370-N380 VanDerWaalsContact NZ-O 3.14Å; K370-V383 PolarHBondContact NZ-O 3.47Å; K370-G386 PolarHBondContact NZ-O 2.7Å; K370-S564 CarbonylContact O-C 3.58Å; K370-S564 WeakPolarHBondContact O-CA 3.12Å; K370-W565 PolarHBondContact O-N 3.44Å; K370-G566 PolarHBondContact O-N 2.67Å | ||
| 371 | D | 56.2 | Low | 53.1 | Low | 43 Ų | 43 | 60.7 Ų | 60.7 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -122.5 | 115.3 | 169 | -164.9 | -30.2 | 0 | 0 | 0 | 110.4 | R311 S373 L388 S564 | R311-D371 IonicContact CZ-OD1 2.89Å; R311-D371 VanDerWaalsContact CZ-OD1 3.26Å; R311-D371 IonicContact CZ-OD2 3.45Å; R311-D371 IonicContact NH1-OD1 2.79Å; R311-D371 PolarHBondContact NH1-OD1 3.36Å; R311-D371 IonicContact NH1-OD2 3.9Å; R311-D371 PolarHBondContact NH1-OD2 2.96Å; R311-D371 IonicContact NH2-OD1 3.32Å; R311-D371 PolarHBondContact NH2-OD1 3.26Å; D371-S373 PolarHBondContact O-N 3.49Å; D371-S373 WeakPolarHBondContact OD1-CA 3.43Å; D371-S373 PolarHBondContact OD1-N 3.4Å; D371-L388 HydrophobicContact CB-CD2 4.21Å; D371-L388 WeakPolarHBondContact O-CD2 3.29Å; D371-S564 CarbonylContact C-O 3.58Å; D371-S564 WeakPolarHBondContact CA-O 3.5Å |
| 372 | Q | 53 | Low | 51.3 | Low | 17 Ų | 17 | 55.8 Ų | 55.8 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | trans | -71.6 | -4 | 176.1 | 68.7 | 176.6 | 102.8 | 0 | 0 | 113.8 | F323 N374 C375 H543 S564 | F323-Q372 HydrophobicContact CE2-CG 3.91Å; F323-Q372 HydrophobicContact CZ-CG 3.75Å; F323-Q372 PolarHBondContact O-NE2 2.01Å; Q372-N374 PolarHBondContact O-N 3.34Å; Q372-C375 PolarHBondContact NE2-O 2.89Å; Q372-C375 WeakPolarHBondContact O-CB 3.03Å; Q372-C375 PolarHBondContact O-N 3.42Å; Q372-H543 PolarHBondContact OE1-CE1 3.44Å; Q372-S564 WeakPolarHBondContact CG-O 3.04Å; Q372-S564 PolarHBondContact N-O 3.16Å; Q372-S564 PolarHBondContact OE1-OG 3.45Å | ||
| 373 | S | 51.3 | Low | 49.5 | Very low | 42 Ų | 42 | 56.9 Ų | 56.9 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | -135 | -173.1 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | R311 F323 D371 C375 Y389 | R311-S373 PolarHBondContact NH2-O 2.86Å; R311-S373 VanDerWaalsContact NH2-O 3.07Å; F323-S373 WeakPolarHBondContact CE2-O 3.45Å; D371-S373 PolarHBondContact O-N 3.49Å; D371-S373 WeakPolarHBondContact OD1-CA 3.43Å; D371-S373 PolarHBondContact OD1-N 3.4Å; S373-C375 VanDerWaalsContact C-N 3.32Å; S373-Y389 WeakPolarHBondContact CB-O 3.47Å; S373-Y389 PolarHBondContact OG-O 3.5Å |
| 374 | N | 49.4 | Very low | 47.8 | Very low | 127 Ų | 127 | 59.4 Ų | 59.4 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 16.2 | 175.4 | -64.5 | -14.6 | 0 | 0 | 0 | 112.9 | Q372 | Q372-N374 PolarHBondContact O-N 3.34Š|
| 375 | C | 44 | Very low | 46.1 | Very low | 25 Ų | 25 | 56.4 Ų | 56.4 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | trans | -93.8 | 121.7 | -179.9 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | Q372 S373 S377 | Q372-C375 PolarHBondContact NE2-O 2.89Å; Q372-C375 WeakPolarHBondContact O-CB 3.03Å; Q372-C375 PolarHBondContact O-N 3.42Å; S373-C375 VanDerWaalsContact C-N 3.32Å; C375-S377 PolarHBondContact O-N 2.82Å; C375-S377 PolarHBondContact SG-OG 2.88Å | ||
| 376 | G | 44.2 | Very low | 44.4 | Very low | 27 Ų | 27 | 53.8 Ų | 53.8 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | trans | -71.3 | 15.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A322 G325 C378 | A322-G376 VanDerWaalsContact O-CA 3.24Å; A322-G376 WeakPolarHBondContact O-CA 3.14Å; G325-G376 WeakPolarHBondContact CA-O 2.98Å; G376-C378 VanDerWaalsContact C-N 3.27Å; G376-C378 PolarHBondContact O-N 2.91Å | ||
| 377 | S | 42 | Very low | 42.6 | Very low | 36 Ų | 36 | 56 Ų | 56 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | trans | -81.2 | 69.9 | -179.8 | 65.9 | 0 | 0 | 0 | 0 | 111 | C375 W379 | C375-S377 PolarHBondContact O-N 2.82Å; C375-S377 PolarHBondContact SG-OG 2.88Å; S377-W379 PolarHBondContact O-N 3.29Å; S377-W379 VanDerWaalsContact O-N 3.16Å | ||
| 378 | C | 33.9 | Very low | 40.4 | Very low | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.02 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -68.4 | -9.5 | -179.2 | -64.6 | 0 | 0 | 0 | 0 | 114 | L324 G325 V326 G376 N380 T381 | L324-C378 PolarHBondContact O-SG 2.65Å; G325-C378 VanDerWaalsContact CA-SG 3.58Å; V326-C378 HydrophobicContact CG2-CB 4.06Å; G376-C378 VanDerWaalsContact C-N 3.27Å; G376-C378 PolarHBondContact O-N 2.91Å; C378-N380 PolarHBondContact O-N 3.38Å; C378-T381 PolarHBondContact O-N 2.72Å; C378-T381 PolarHBondContact O-OG1 2.78Å |
| 379 | W | 39.3 | Very low | 38.7 | Very low | 197 Ų | 197 | 58.7 Ų | 58.7 | 75% | 0.746 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -60.8 | -11.7 | 174.7 | -64 | 83 | 0 | 0 | 0 | 114.5 | S377 | S377-W379 PolarHBondContact O-N 3.29Å; S377-W379 VanDerWaalsContact O-N 3.16Å |
| 380 | N | 34.9 | Very low | 36.8 | Very low | 38 Ų | 38 | 59.9 Ų | 59.9 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -87.9 | 1.2 | -177.9 | -85.8 | -37.3 | 0 | 0 | 0 | 115.9 | K370 C378 G382 Y389 | K370-N380 PolarHBondContact NZ-O 3.31Å; K370-N380 VanDerWaalsContact NZ-O 3.14Å; C378-N380 PolarHBondContact O-N 3.38Å; N380-G382 PolarHBondContact O-N 2.79Å; N380-Y389 WeakPolarHBondContact ND2-CE2 3.18Å |
| 381 | T | 30.9 | Very low | 35.2 | Very low | 14 Ų | 14 | 62.4 Ų | 62.4 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -25.5 | -175.4 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | C378 | C378-T381 PolarHBondContact O-N 2.72Å; C378-T381 PolarHBondContact O-OG1 2.78Å |
| 382 | G | 28.8 | Very low | 33.8 | Very low | 45 Ų | 45 | 70 Ų | 70 | 46% | 0.464 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -13.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | N380 | N380-G382 PolarHBondContact O-N 2.79Š|
| 383 | V | 30.9 | Very low | 32.4 | Very low | 73 Ų | 73 | 75.9 Ų | 75.9 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | trans | -106.4 | 116.1 | -172.1 | -171 | 0 | 0 | 0 | 0 | 110.9 | K370 T385 | K370-V383 PolarHBondContact NZ-O 3.47Å; V383-T385 PolarHBondContact O-N 3.43Å | ||
| 384 | P | 25.1 | Very low | 31.1 | Very low | 78 Ų | 78 | 76.8 Ų | 76.8 | 51% | 0.506 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.9 | -178.2 | -23.7 | 32.3 | 0 | 0 | 0 | 115.1 | L365 | L365-P384 HydrophobicContact CD1-CB 4.02Å; L365-P384 HydrophobicContact CD2-CB 3.94Å; L365-P384 HydrophobicContact CD2-CG 4.46Å; L365-P384 HydrophobicContact CG-CB 4.14Å |
| 385 | T | 25.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 74 Ų | 74 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 3.4 | -171 | 54.4 | 0 | 0 | 0 | 0 | 115.9 | V383 | V383-T385 PolarHBondContact O-N 3.43Š|
| 386 | G | 25 | Very low | 28.9 | Very low | 25 Ų | 25 | 81.8 Ų | 81.8 | 26% | 0.258 | 49% | 0.486 | S | S | . | . | trans | -81.8 | 115.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K370 | K370-G386 PolarHBondContact NZ-O 2.7Š| ||
| 387 | G | 24.7 | Very low | 27.9 | Very low | 59 Ų | 59 | 84.4 Ų | 84.4 | 61% | 0.608 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 161.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 388 | L | 25.3 | Very low | 27 | Very low | 99 Ų | 99 | 93.2 Ų | 93.2 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 123.5 | -170.7 | -62.7 | 156.6 | 0 | 0 | 0 | 112.8 | D371 | D371-L388 HydrophobicContact CB-CD2 4.21Å; D371-L388 WeakPolarHBondContact O-CD2 3.29Å |
| 389 | Y | 26.4 | Very low | 26.4 | Very low | 98 Ų | 98 | 98 Ų | 98 | 38% | 0.384 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -83.4 | 131.9 | 177.2 | -74.2 | -98.5 | 0 | 0 | 0 | 111.5 | S373 N380 I455 | S373-Y389 WeakPolarHBondContact CB-O 3.47Å; S373-Y389 PolarHBondContact OG-O 3.5Å; N380-Y389 WeakPolarHBondContact ND2-CE2 3.18Å; Y389-I455 VanDerWaalsContact OH-CD1 3.23Å; Y389-I455 WeakPolarHBondContact OH-CD1 3.34Å |
| 390 | G | 24.5 | Very low | 25.7 | Very low | 67 Ų | 67 | 95.8 Ų | 95.8 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | trans | -152.8 | 103.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 391 | S | 25 | Very low | 25.1 | Very low | 86 Ų | 86 | 98.9 Ų | 98.9 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | trans | -97.1 | 150.2 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | E393 | S391-E393 PolarHBondContact O-N 3.39Å; S391-E393 PolarHBondContact OG-O 3.17Å | ||
| 392 | K | 26.3 | Very low | 25 | Very low | 201 Ų | 201 | 103.7 Ų | 103.7 | 87% | 0.874 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -66.8 | -10.1 | 177.2 | -90.2 | -174.9 | 171.5 | -174.9 | 0 | 114.9 | ||
| 393 | E | 23.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 109.2 Ų | 109.2 | 66% | 0.659 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -123.4 | 118.7 | -178.4 | -71.1 | 168.1 | -172.3 | 0 | 0 | 107 | S391 C395 | S391-E393 PolarHBondContact O-N 3.39Å; S391-E393 PolarHBondContact OG-O 3.17Å; E393-C395 PolarHBondContact O-N 3.25Å |
| 394 | G | 24.8 | Very low | 24.5 | Very low | 61 Ų | 61 | 112.3 Ų | 112.3 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | trans | -57.5 | 133.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110 | K396 | G394-K396 PolarHBondContact O-N 3.37Š| ||
| 395 | C | 23.9 | Very low | 24.5 | Very low | 69 Ų | 69 | 118.3 Ų | 118.3 | 47% | 0.466 | 67% | 0.67 | S | S | . | * | trans | -59 | 102.2 | 169.5 | -65 | 0 | 0 | 0 | 0 | 108.4 | E393 | E393-C395 PolarHBondContact O-N 3.25Š| ||
| 396 | K | 22.4 | Very low | 24.4 | Very low | 189 Ų | 189 | 118.6 Ų | 118.6 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129.9 | 164.6 | -76.9 | -170.5 | 175.2 | -173.9 | 0 | 108.5 | G394 Y398 | G394-K396 PolarHBondContact O-N 3.37Å; K396-Y398 PolarHBondContact O-N 2.88Å |
| 397 | P | 23.2 | Very low | 24.4 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 53% | 0.526 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 124 | 178.5 | 26.4 | -30.1 | 0 | 0 | 0 | 110.2 | A322 | A322-P397 HydrophobicContact CB-CB 4.13Å; A322-P397 HydrophobicContact CB-CG 4.38Å |
| 398 | Y | 22 | Very low | 24.5 | Very low | 221 Ų | 221 | 126 Ų | 126 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -85 | 119.5 | 166.2 | -107.5 | -86.3 | 0 | 0 | 0 | 108.9 | K396 | K396-Y398 PolarHBondContact O-N 2.88Š|
| 399 | S | 22.8 | Very low | 24.5 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 123.1 | 168.9 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | P401 | S399-P401 WeakPolarHBondContact O-CD 3.3Š|
| 400 | I | 23.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 127 Ų | 127 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 120 | 173.1 | -58.3 | 173.2 | 0 | 0 | 0 | 108.1 | ||
| 401 | P | 22.6 | Very low | 24.8 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 137.2 | 165.6 | -10.4 | 27.1 | 0 | 0 | 0 | 110.1 | S399 N403 | S399-P401 WeakPolarHBondContact O-CD 3.3Å; P401-N403 PolarHBondContact O-N 3.27Å |
| 402 | P | 28.5 | Very low | 25 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -78.9 | 97.3 | -179 | 31.3 | -29.6 | 0 | 0 | 0 | 108.4 | ||
| 403 | N | 24.6 | Very low | 25.2 | Very low | 161 Ų | 161 | 121.7 Ų | 121.7 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | trans | 169.2 | 49 | 153.1 | -85.2 | -12.4 | 0 | 0 | 0 | 112.1 | P401 | P401-N403 PolarHBondContact O-N 3.27Š| ||
| 404 | N | 25.1 | Very low | 25.5 | Very low | 137 Ų | 137 | 117.6 Ų | 117.6 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | trans | -135.3 | 109.2 | 164.9 | -100.2 | -27.5 | 0 | 0 | 0 | 109.9 | N406 | N404-N406 PolarHBondContact O-N 2.89Š| ||
| 405 | E | 25.3 | Very low | 25.6 | Very low | 205 Ų | 205 | 118.5 Ų | 118.5 | 96% | 0.958 | 66% | 0.655 | S | S | * | * | trans | -65.3 | 22.4 | 168.7 | -66 | -177.2 | 152.9 | 0 | 0 | 113.1 | ||||
| 406 | N | 23.7 | Very low | 25.8 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -120.3 | 102.3 | -177.9 | -80.3 | -46.4 | 0 | 0 | 0 | 110.2 | N404 | N404-N406 PolarHBondContact O-N 2.89Š|
| 407 | K | 24.1 | Very low | 26 | Very low | 144 Ų | 144 | 113.2 Ų | 113.2 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | trans | 54 | 107.1 | 148.8 | -61.7 | 172.4 | -176.3 | 168.7 | 0 | 115.4 | E409 | K407-E409 VanDerWaalsContact C-N 3.33Å; K407-E409 PolarHBondContact O-N 3.34Å | ||
| 408 | A | 26.4 | Very low | 26.1 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 79% | 0.793 | 63% | 0.629 | S | S | * | * | trans | -52.4 | 96.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | T410 | A408-T410 PolarHBondContact O-N 2.68Š| ||
| 409 | E | 26.5 | Very low | 26.2 | Very low | 142 Ų | 142 | 111 Ų | 111 | 66% | 0.664 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.3 | 174.5 | -74.4 | -165.1 | 151 | 0 | 0 | 108 | K407 K415 | K407-E409 VanDerWaalsContact C-N 3.33Å; K407-E409 PolarHBondContact O-N 3.34Å; E409-K415 IonicContact OE1-NZ 2.78Å; E409-K415 PolarHBondContact OE1-NZ 2.91Å; E409-K415 IonicContact OE2-NZ 3.01Å; E409-K415 PolarHBondContact OE2-NZ 2.8Å |
| 410 | T | 28.9 | Very low | 26.4 | Very low | 74 Ų | 74 | 111.5 Ų | 111.5 | 45% | 0.454 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -58 | 142.2 | -179.1 | -33.2 | 0 | 0 | 0 | 0 | 109.4 | A408 T414 | A408-T410 PolarHBondContact O-N 2.68Å; T410-T414 VanDerWaalsContact CG2-CB 3.48Å; T410-T414 HydrophobicContact CG2-CG2 3.49Å; T410-T414 VanDerWaalsContact CG2-CG2 3.49Å; T410-T414 WeakPolarHBondContact CG2-OG1 3.47Å |
| 411 | P | 28.8 | Very low | 26.5 | Very low | 87 Ų | 87 | 110.5 Ų | 110.5 | 57% | 0.565 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 154 | -172.1 | -29.7 | 34.9 | 0 | 0 | 0 | 113.3 | C413 T414 K415 | P411-C413 PolarHBondContact O-N 3.23Å; P411-T414 WeakPolarHBondContact O-CA 3.37Å; P411-T414 WeakPolarHBondContact O-CB 3.44Å; P411-T414 PolarHBondContact O-N 3.45Å; P411-K415 PolarHBondContact O-N 3.01Å |
| 412 | A | 28.6 | Very low | 26.6 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 67% | 0.669 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -51 | -24.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T414 K415 K416 | A412-T414 VanDerWaalsContact C-N 3.27Å; A412-T414 PolarHBondContact O-N 2.89Å; A412-K415 PolarHBondContact O-N 2.85Å; A412-K416 PolarHBondContact O-N 3.46Å |
| 413 | C | 30.1 | Very low | 26.4 | Very low | 76 Ų | 76 | 111 Ų | 111 | 51% | 0.514 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -28.6 | 171.5 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | P411 | P411-C413 PolarHBondContact O-N 3.23Å |
| 414 | T | 29.8 | Very low | 26.4 | Very low | 54 Ų | 54 | 109 Ų | 109 | 33% | 0.331 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -90.9 | -35 | 175 | -45.6 | 0 | 0 | 0 | 0 | 112.3 | T410 P411 A412 K416 C417 I418 | T410-T414 VanDerWaalsContact CG2-CB 3.48Å; T410-T414 HydrophobicContact CG2-CG2 3.49Å; T410-T414 VanDerWaalsContact CG2-CG2 3.49Å; T410-T414 WeakPolarHBondContact CG2-OG1 3.47Å; P411-T414 WeakPolarHBondContact O-CA 3.37Å; P411-T414 WeakPolarHBondContact O-CB 3.44Å; P411-T414 PolarHBondContact O-N 3.45Å; A412-T414 VanDerWaalsContact C-N 3.27Å; A412-T414 PolarHBondContact O-N 2.89Å; T414-K416 VanDerWaalsContact C-N 3.34Å; T414-K416 PolarHBondContact O-N 2.82Å; T414-C417 WeakPolarHBondContact O-CB 3.28Å; T414-C417 PolarHBondContact O-N 3.43Å; T414-I418 PolarHBondContact O-N 3.23Å |
| 415 | K | 27.4 | Very low | 26.5 | Very low | 80 Ų | 80 | 108 Ų | 108 | 35% | 0.348 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.7 | -39.7 | 178.3 | -157.2 | 172.6 | -172.3 | 170.5 | 0 | 112.3 | E409 P411 A412 C417 I418 E419 | E409-K415 IonicContact OE1-NZ 2.78Å; E409-K415 PolarHBondContact OE1-NZ 2.91Å; E409-K415 IonicContact OE2-NZ 3.01Å; E409-K415 PolarHBondContact OE2-NZ 2.8Å; P411-K415 PolarHBondContact O-N 3.01Å; A412-K415 PolarHBondContact O-N 2.85Å; K415-C417 PolarHBondContact O-N 3Å; K415-C417 VanDerWaalsContact O-N 3.14Å; K415-I418 PolarHBondContact O-N 3.44Å; K415-I418 VanDerWaalsContact O-N 3.14Å; K415-E419 PolarHBondContact O-N 3.11Å |
| 416 | K | 26.9 | Very low | 26.4 | Very low | 113 Ų | 113 | 101.9 Ų | 101.9 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.8 | -16.9 | 174.1 | -152.8 | 172.1 | -172.6 | 172.1 | 0 | 113.6 | A412 T414 | A412-K416 PolarHBondContact O-N 3.46Å; T414-K416 VanDerWaalsContact C-N 3.34Å; T414-K416 PolarHBondContact O-N 2.82Å |
| 417 | C | 27 | Very low | 26.6 | Very low | 35 Ų | 35 | 104.3 Ų | 104.3 | 24% | 0.236 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -85.6 | -30.2 | 174.2 | -85.3 | 0 | 0 | 0 | 0 | 113.9 | T414 K415 F454 | T414-C417 WeakPolarHBondContact O-CB 3.28Å; T414-C417 PolarHBondContact O-N 3.43Å; K415-C417 PolarHBondContact O-N 3Å; K415-C417 VanDerWaalsContact O-N 3.14Å; C417-F454 WeakPolarHBondContact SG-CE1 3.47Å; C417-F454 VanDerWaalsContact SG-CZ 3.51Å |
| 418 | I | 25.8 | Very low | 26.7 | Very low | 108 Ų | 108 | 103.7 Ų | 103.7 | 55% | 0.554 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75.2 | -37.5 | -180 | -62.1 | 173.1 | 0 | 0 | 0 | 110 | T414 K415 Y421 | T414-I418 PolarHBondContact O-N 3.23Å; K415-I418 PolarHBondContact O-N 3.44Å; K415-I418 VanDerWaalsContact O-N 3.14Å; I418-Y421 CarbonylContact O-C 3.07Å; I418-Y421 PolarHBondContact O-N 3.05Å |
| 419 | E | 24.9 | Very low | 26.7 | Very low | 146 Ų | 146 | 108 Ų | 108 | 68% | 0.682 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.9 | -30.3 | -179 | -68.8 | 175.2 | 178.8 | 0 | 0 | 113.1 | K415 | K415-E419 PolarHBondContact O-N 3.11Å |
| 420 | E | 27.2 | Very low | 26.6 | Very low | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | -10.7 | 175.9 | -73.9 | -172.8 | 178.1 | 0 | 0 | 113.6 | ||
| 421 | Y | 25.3 | Very low | 26.6 | Very low | 129 Ų | 129 | 110.3 Ų | 110.3 | 51% | 0.506 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -141 | 83 | 178.4 | -74 | -80.7 | 0 | 0 | 0 | 111.2 | I418 V423 R445 | I418-Y421 CarbonylContact O-C 3.07Å; I418-Y421 PolarHBondContact O-N 3.05Å; Y421-V423 PolarHBondContact O-N 3.49Å; Y421-R445 PolarHBondContact OH-NH1 3.29Å; Y421-R445 PolarHBondContact OH-NH2 3.01Å |
| 422 | P | 23 | Very low | 26.4 | Very low | 116 Ų | 116 | 109.7 Ų | 109.7 | 75% | 0.753 | 60% | 0.596 | S | S | * | * | trans | -71.9 | 96.2 | 178.7 | 29.5 | -31.9 | 0 | 0 | 0 | 109.2 | D424 | P422-D424 PolarHBondContact O-N 3.4Š| ||
| 423 | V | 25.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 113.2 Ų | 113.2 | 68% | 0.679 | 60% | 0.598 | S | S | * | * | trans | -74.7 | 120.5 | 161 | -175.7 | 0 | 0 | 0 | 0 | 106.4 | Y421 L425 | Y421-V423 PolarHBondContact O-N 3.49Å; V423-L425 HydrophobicContact CB-CG 4.44Å; V423-L425 HydrophobicContact CG1-CG 4.2Å; V423-L425 PolarHBondContact O-N 3.47Å | ||
| 424 | D | 24.3 | Very low | 25.9 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 65% | 0.647 | 62% | 0.617 | S | S | * | * | trans | -70.6 | 71.4 | -178.9 | -165.2 | 2.8 | 0 | 0 | 0 | 111 | P422 A426 | P422-D424 PolarHBondContact O-N 3.4Å; D424-A426 PolarHBondContact O-N 3.36Å; D424-A426 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 425 | L | 26.4 | Very low | 26 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 1.6 | 178.1 | -75.7 | 163.5 | 0 | 0 | 0 | 112.6 | V423 K427 | V423-L425 HydrophobicContact CB-CG 4.44Å; V423-L425 HydrophobicContact CG1-CG 4.2Å; V423-L425 PolarHBondContact O-N 3.47Å; L425-K427 VanDerWaalsContact C-N 3.3Å; L425-K427 PolarHBondContact O-N 2.94Å |
| 426 | A | 25.1 | Very low | 25.9 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -26.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D424 | D424-A426 PolarHBondContact O-N 3.36Å; D424-A426 WeakPolarHBondContact OD1-CB 3.45Å |
| 427 | K | 26.6 | Very low | 25.8 | Very low | 169 Ų | 169 | 118.6 Ų | 118.6 | 74% | 0.735 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -28.4 | -179 | -85.3 | -176.9 | 175.9 | 175.1 | 0 | 114.8 | L425 S430 | L425-K427 VanDerWaalsContact C-N 3.3Å; L425-K427 PolarHBondContact O-N 2.94Å; K427-S430 PolarHBondContact O-OG 2.88Å |
| 428 | D | 26.3 | Very low | 25.8 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -92.1 | -9.8 | -174.2 | -98.9 | -15.2 | 0 | 0 | 0 | 115.2 | S430 | D428-S430 PolarHBondContact O-N 3.46Å; D428-S430 VanDerWaalsContact O-N 3.1Å |
| 429 | R | 25.7 | Very low | 25.8 | Very low | 186 Ų | 186 | 122.4 Ų | 122.4 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -69.3 | -6.2 | 177.1 | -76.4 | -171.6 | 179.6 | 163.6 | 9.7 | 114.8 | K431 | R429-K431 VanDerWaalsContact C-N 3.27Å; R429-K431 PolarHBondContact O-N 3.22Å |
| 430 | S | 26.3 | Very low | 25.9 | Very low | 99 Ų | 99 | 118.8 Ų | 118.8 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -79 | -1.3 | -177.6 | 61.9 | 0 | 0 | 0 | 0 | 114.7 | K427 D428 | K427-S430 PolarHBondContact O-OG 2.88Å; D428-S430 PolarHBondContact O-N 3.46Å; D428-S430 VanDerWaalsContact O-N 3.1Å |
| 431 | K | 27.8 | Very low | 25.8 | Very low | 165 Ų | 165 | 114.7 Ų | 114.7 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -121.5 | 87.3 | 178.9 | -64.9 | -175.2 | -178.5 | 177.6 | 0 | 110.8 | R429 H433 | R429-K431 VanDerWaalsContact C-N 3.27Å; R429-K431 PolarHBondContact O-N 3.22Å; K431-H433 PolarHBondContact O-N 3.21Å |
| 432 | G | 24.6 | Very low | 25.8 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | -65.7 | 91 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 433 | H | 24.9 | Very low | 25.9 | Very low | 154 Ų | 154 | 108.2 Ų | 108.2 | 71% | 0.713 | 59% | 0.585 | S | S | * | * | trans | -130.7 | 131.3 | 169.5 | -69.2 | -72 | 0 | 0 | 0 | 111.8 | K431 V435 | K431-H433 PolarHBondContact O-N 3.21Å; H433-V435 HydrophobicContact CB-CG2 4.44Å | ||
| 434 | N | 24.4 | Very low | 25.9 | Very low | 170 Ų | 170 | 108 Ų | 108 | 91% | 0.909 | 58% | 0.577 | S | S | * | * | trans | -85.6 | 115.4 | 177.3 | -75 | -31.4 | 0 | 0 | 0 | 110.4 | ||||
| 435 | V | 30 | Very low | 26 | Very low | 57 Ų | 57 | 108.9 Ų | 108.9 | 35% | 0.345 | 57% | 0.571 | S | S | . | * | trans | -153.4 | 152.9 | -178 | -163.1 | 0 | 0 | 0 | 0 | 114.4 | H433 H461 | H433-V435 HydrophobicContact CB-CG2 4.44Å; V435-H461 VanDerWaalsContact CB-CD2 3.44Å; V435-H461 WeakPolarHBondContact CB-CD2 2.96Å; V435-H461 HydrophobicContact CG1-CB 4.47Å | ||
| 436 | N | 25.5 | Very low | 26 | Very low | 87 Ų | 87 | 106.5 Ų | 106.5 | 47% | 0.465 | 56% | 0.563 | S | S | . | * | trans | -104.4 | 152.6 | -162.4 | -60 | -48 | 0 | 0 | 0 | 115.7 | ||||
| 437 | E | 26.5 | Very low | 26.3 | Very low | 122 Ų | 122 | 110.8 Ų | 110.8 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | trans | 94.9 | 135.5 | 166.1 | -60.4 | -170.8 | 168.8 | 0 | 0 | 120.6 | V460 | E437-V460 PolarHBondContact O-N 3.44Š| ||
| 438 | K | 26.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 108.7 Ų | 108.7 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.7 | -170.2 | -68.1 | 179.4 | 179.1 | 178.7 | 0 | 113.1 | I457 | K438-I457 HydrophobicContact CB-CG2 3.94Å; K438-I457 HydrophobicContact CD-CG2 4.14Å; K438-I457 HydrophobicContact CG-CG2 4.14Å |
| 439 | M | 25 | Very low | 26.6 | Very low | 70 Ų | 70 | 107.6 Ų | 107.6 | 35% | 0.345 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.2 | 171 | -105.5 | 178 | 161.6 | 0 | 0 | 111.1 | F441 I457 L458 V460 I490 | M439-F441 HydrophobicContact CB-CE2 4.14Å; M439-I457 WeakPolarHBondContact O-CA 3.39Å; M439-L458 PolarHBondContact N-O 3.42Å; M439-L458 PolarHBondContact O-N 3.31Å; M439-V460 HydrophobicContact CB-CG2 4.24Å; M439-I490 HydrophobicContact CE-CD1 4.43Å; M439-I490 HydrophobicContact CE-CG2 4Å |
| 440 | A | 26.6 | Very low | 26.7 | Very low | 70 Ų | 70 | 101.8 Ų | 101.8 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I455 | A440-I455 HydrophobicContact CB-CG2 3.99Å |
| 441 | F | 26.8 | Very low | 26.7 | Very low | 31 Ų | 31 | 104.6 Ų | 104.6 | 14% | 0.136 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.4 | 175.7 | -62.9 | -94.6 | 0 | 0 | 0 | 110.6 | M439 I455 I456 L458 L471 | M439-F441 HydrophobicContact CB-CE2 4.14Å; F441-I455 VanDerWaalsContact O-CA 3.25Å; F441-I455 WeakPolarHBondContact O-CA 3.46Å; F441-I456 HydrophobicContact CB-CB 4.49Å; F441-I456 WeakPolarHBondContact CD2-O 3.43Å; F441-I456 PolarHBondContact N-O 3.1Å; F441-I456 PolarHBondContact O-N 3.1Å; F441-L458 HydrophobicContact CD2-CB 4.43Å; F441-L458 HydrophobicContact CD2-CD1 4.19Å; F441-L458 HydrophobicContact CD2-CG 4.14Å; F441-L458 HydrophobicContact CE2-CB 3.79Å; F441-L458 HydrophobicContact CE2-CD1 3.65Å; F441-L458 HydrophobicContact CE2-CG 3.8Å; F441-L458 HydrophobicContact CZ-CD1 4.03Å; F441-L471 HydrophobicContact CZ-CD2 4.31Å |
| 442 | T | 25.1 | Very low | 26.6 | Very low | 81 Ų | 81 | 101.8 Ų | 101.8 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.6 | 165.4 | 41.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 443 | C | 25.1 | Very low | 26.8 | Very low | 27 Ų | 27 | 102.3 Ų | 102.3 | 18% | 0.182 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.2 | 173.3 | -88.6 | 0 | 0 | 0 | 0 | 110.9 | F454 | C443-F454 PolarHBondContact N-O 2.96Å |
| 444 | Q | 25.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 98.7 Ų | 98.7 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -98 | 117.2 | 162.7 | -90.4 | -176.3 | -22.1 | 0 | 0 | 108.4 | ||
| 445 | R | 25.9 | Very low | 27.3 | Very low | 139 Ų | 139 | 93.6 Ų | 93.6 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 132.7 | 171.2 | -164.2 | -179.6 | -173.7 | 169.8 | 2 | 109.7 | Y421 | Y421-R445 PolarHBondContact OH-NH1 3.29Å; Y421-R445 PolarHBondContact OH-NH2 3.01Å |
| 446 | P | 26.9 | Very low | 27.1 | Very low | 65 Ų | 65 | 94.8 Ų | 94.8 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 122.6 | 165.9 | -13.6 | 28.8 | 0 | 0 | 0 | 110.8 | I482 | P446-I482 WeakPolarHBondContact CD-O 3.1Å; P446-I482 WeakPolarHBondContact CG-O 3.46Å |
| 447 | E | 30.1 | Very low | 27.3 | Very low | 167 Ų | 167 | 95.6 Ų | 95.6 | 78% | 0.78 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 52.5 | 91.8 | 134.9 | -61.2 | 174.9 | -168.6 | 0 | 0 | 117.1 | ||
| 448 | T | 32.1 | Very low | 27.3 | Very low | 125 Ų | 125 | 93.8 Ų | 93.8 | 77% | 0.767 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 176.3 | -7.2 | 136.6 | 32.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 449 | T | 28.3 | Very low | 27.2 | Very low | 109 Ų | 109 | 91 Ų | 91 | 67% | 0.669 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -141.6 | 125.8 | 171.5 | 57.2 | 0 | 0 | 0 | 0 | 110.6 | Y451 | T449-Y451 PolarHBondContact O-N 3.14Š|
| 450 | G | 28.4 | Very low | 27.4 | Very low | 64 Ų | 64 | 89 Ų | 89 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -41.9 | 128.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 451 | Y | 24.7 | Very low | 28 | Very low | 158 Ų | 158 | 90.3 Ų | 90.3 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | trans | 30.3 | 102.2 | 162 | -59.9 | -84.6 | 0 | 0 | 0 | 118.2 | T449 A593 | T449-Y451 PolarHBondContact O-N 3.14Å; Y451-A593 HydrophobicContact CE1-CB 3.67Å; Y451-A593 HydrophobicContact CE2-CB 3.88Å; Y451-A593 WeakPolarHBondContact OH-CB 3.15Å | ||
| 452 | K | 27.4 | Very low | 28.3 | Very low | 106 Ų | 106 | 95.9 Ų | 95.9 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | trans | -144.8 | 97.5 | 140.7 | -61.9 | -177 | -173 | 171.8 | 0 | 108.8 | F454 | K452-F454 HydrophobicContact CB-CD1 4.01Å; K452-F454 HydrophobicContact CB-CD2 3.59Å; K452-F454 HydrophobicContact CB-CE1 3.52Å; K452-F454 HydrophobicContact CB-CE2 3.09Å; K452-F454 HydrophobicContact CB-CG 4.1Å; K452-F454 HydrophobicContact CB-CZ 3.16Å; K452-F454 HydrophobicContact CD-CE1 3.41Å; K452-F454 VanDerWaalsContact CD-CE1 3.41Å; K452-F454 HydrophobicContact CD-CE2 3.74Å; K452-F454 HydrophobicContact CD-CZ 2.94Å; K452-F454 HydrophobicContact CG-CE1 3.94Å; K452-F454 HydrophobicContact CG-CE2 4Å; K452-F454 HydrophobicContact CG-CZ 3.6Å; K452-F454 WeakPolarHBondContact O-CD2 3.37Å; K452-F454 PolarHBondContact O-N 3.45Å | ||
| 453 | S | 27.5 | Very low | 28.8 | Very low | 86 Ų | 86 | 96.9 Ų | 96.9 | 60% | 0.601 | 51% | 0.511 | S | S | * | . | trans | -72.5 | 113.8 | 160 | -57.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 454 | F | 30.5 | Very low | 29.1 | Very low | 78 Ų | 78 | 97.6 Ų | 97.6 | 34% | 0.342 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.7 | -177.7 | -61.8 | -78.8 | 0 | 0 | 0 | 110.6 | C417 C443 K452 | C417-F454 WeakPolarHBondContact SG-CE1 3.47Å; C417-F454 VanDerWaalsContact SG-CZ 3.51Å; C443-F454 PolarHBondContact N-O 2.96Å; K452-F454 HydrophobicContact CB-CD1 4.01Å; K452-F454 HydrophobicContact CB-CD2 3.59Å; K452-F454 HydrophobicContact CB-CE1 3.52Å; K452-F454 HydrophobicContact CB-CE2 3.09Å; K452-F454 HydrophobicContact CB-CG 4.1Å; K452-F454 HydrophobicContact CB-CZ 3.16Å; K452-F454 HydrophobicContact CD-CE1 3.41Å; K452-F454 VanDerWaalsContact CD-CE1 3.41Å; K452-F454 HydrophobicContact CD-CE2 3.74Å; K452-F454 HydrophobicContact CD-CZ 2.94Å; K452-F454 HydrophobicContact CG-CE1 3.94Å; K452-F454 HydrophobicContact CG-CE2 4Å; K452-F454 HydrophobicContact CG-CZ 3.6Å; K452-F454 WeakPolarHBondContact O-CD2 3.37Å; K452-F454 PolarHBondContact O-N 3.45Å |
| 455 | I | 29.1 | Very low | 29.8 | Very low | 63 Ų | 63 | 97.3 Ų | 97.3 | 32% | 0.323 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 110.3 | 165.4 | -58.1 | -178.9 | 0 | 0 | 0 | 106.6 | Y389 A440 F441 I457 | Y389-I455 VanDerWaalsContact OH-CD1 3.23Å; Y389-I455 WeakPolarHBondContact OH-CD1 3.34Å; A440-I455 HydrophobicContact CB-CG2 3.99Å; F441-I455 VanDerWaalsContact O-CA 3.25Å; F441-I455 WeakPolarHBondContact O-CA 3.46Å; I455-I457 HydrophobicContact CG2-CG1 4Å |
| 456 | I | 27.2 | Very low | 30.4 | Very low | 82 Ų | 82 | 97.1 Ų | 97.1 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.8 | 164.6 | -57.6 | 177.6 | 0 | 0 | 0 | 105.1 | F441 L458 | F441-I456 HydrophobicContact CB-CB 4.49Å; F441-I456 WeakPolarHBondContact CD2-O 3.43Å; F441-I456 PolarHBondContact N-O 3.1Å; F441-I456 PolarHBondContact O-N 3.1Å; I456-L458 HydrophobicContact CG2-CD2 3.7Å; I456-L458 HydrophobicContact CG2-CG 3.83Å |
| 457 | I | 28.2 | Very low | 31 | Very low | 103 Ų | 103 | 95.7 Ų | 95.7 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.2 | 167.8 | -57.9 | 176.3 | 0 | 0 | 0 | 105.1 | K438 M439 I455 | K438-I457 HydrophobicContact CB-CG2 3.94Å; K438-I457 HydrophobicContact CD-CG2 4.14Å; K438-I457 HydrophobicContact CG-CG2 4.14Å; M439-I457 WeakPolarHBondContact O-CA 3.39Å; I455-I457 HydrophobicContact CG2-CG1 4Å |
| 458 | L | 26.1 | Very low | 31.5 | Very low | 84 Ų | 84 | 92.4 Ų | 92.4 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.3 | 167.9 | -59.5 | 173.5 | 0 | 0 | 0 | 107.6 | M439 F441 I456 V460 | M439-L458 PolarHBondContact N-O 3.42Å; M439-L458 PolarHBondContact O-N 3.31Å; F441-L458 HydrophobicContact CD2-CB 4.43Å; F441-L458 HydrophobicContact CD2-CD1 4.19Å; F441-L458 HydrophobicContact CD2-CG 4.14Å; F441-L458 HydrophobicContact CE2-CB 3.79Å; F441-L458 HydrophobicContact CE2-CD1 3.65Å; F441-L458 HydrophobicContact CE2-CG 3.8Å; F441-L458 HydrophobicContact CZ-CD1 4.03Å; I456-L458 HydrophobicContact CG2-CD2 3.7Å; I456-L458 HydrophobicContact CG2-CG 3.83Å; L458-V460 VanDerWaalsContact C-N 3.34Å; L458-V460 HydrophobicContact CB-CG2 3.62Å; L458-V460 PolarHBondContact O-N 2.84Å; L458-V460 VanDerWaalsContact O-N 3.12Å |
| 459 | D | 25.4 | Very low | 32 | Very low | 96 Ų | 96 | 90.5 Ų | 90.5 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 86.1 | 173.3 | -135.8 | 0.4 | 0 | 0 | 0 | 106.9 | H461 | D459-H461 PolarHBondContact O-N 3.11Å; D459-H461 PolarHBondContact O-ND1 2.65Å |
| 460 | V | 29.8 | Very low | 32.5 | Very low | 27 Ų | 27 | 90.1 Ų | 90.1 | 16% | 0.164 | 49% | 0.487 | C | S | . | . | trans | -95.2 | 100.1 | -168.9 | -171 | 0 | 0 | 0 | 0 | 109.2 | E437 M439 L458 Q462 L467 | E437-V460 PolarHBondContact O-N 3.44Å; M439-V460 HydrophobicContact CB-CG2 4.24Å; L458-V460 VanDerWaalsContact C-N 3.34Å; L458-V460 HydrophobicContact CB-CG2 3.62Å; L458-V460 PolarHBondContact O-N 2.84Å; L458-V460 VanDerWaalsContact O-N 3.12Å; V460-Q462 PolarHBondContact O-N 3.35Å; V460-L467 HydrophobicContact CG1-CD1 4.22Å; V460-L467 HydrophobicContact CG1-CD2 3.2Å; V460-L467 HydrophobicContact CG1-CG 4.14Å | ||
| 461 | H | 38.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 88.9 Ų | 88.9 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | trans | -59.6 | 100.2 | 176 | -71.5 | 43.1 | 0 | 0 | 0 | 110.7 | V435 D459 | V435-H461 VanDerWaalsContact CB-CD2 3.44Å; V435-H461 WeakPolarHBondContact CB-CD2 2.96Å; V435-H461 HydrophobicContact CG1-CB 4.47Å; D459-H461 PolarHBondContact O-N 3.11Å; D459-H461 PolarHBondContact O-ND1 2.65Å | ||
| 462 | Q | 32.2 | Very low | 33.9 | Very low | 149 Ų | 149 | 88.2 Ų | 88.2 | 70% | 0.696 | 47% | 0.465 | S | S | * | . | trans | 44.4 | 122.4 | 172.6 | -67.1 | -163.9 | -17.8 | 0 | 0 | 118.6 | V460 S464 L467 | V460-Q462 PolarHBondContact O-N 3.35Å; Q462-S464 PolarHBondContact O-N 3.38Å; Q462-L467 WeakPolarHBondContact O-CD2 3.33Å | ||
| 463 | P | 35.7 | Very low | 34.4 | Very low | 102 Ų | 102 | 86.4 Ų | 86.4 | 66% | 0.662 | 46% | 0.463 | S | S | * | . | trans | -72.5 | 94.9 | 179.3 | 30.7 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 464 | S | 32 | Very low | 35 | Very low | 42 Ų | 42 | 84.7 Ų | 84.7 | 29% | 0.294 | 45% | 0.449 | S | S | . | . | trans | -80.6 | 154.9 | 159.6 | 88.4 | 0 | 0 | 0 | 0 | 109.8 | Q462 E466 L467 N468 | Q462-S464 PolarHBondContact O-N 3.38Å; S464-E466 WeakPolarHBondContact CB-OE2 3.29Å; S464-E466 PolarHBondContact O-N 3.46Å; S464-E466 VanDerWaalsContact O-N 3.16Å; S464-E466 WeakPolarHBondContact OG-CB 3.39Å; S464-E466 PolarHBondContact OG-N 3.31Å; S464-E466 PolarHBondContact OG-OE2 3.16Å; S464-L467 WeakPolarHBondContact O-CA 3.03Å; S464-L467 WeakPolarHBondContact O-CB 3.12Å; S464-L467 PolarHBondContact O-N 3.21Å; S464-L467 PolarHBondContact OG-N 3.3Å; S464-N468 PolarHBondContact O-N 3.22Å | ||
| 465 | P | 40.3 | Very low | 35.3 | Very low | 102 Ų | 102 | 85.5 Ų | 85.5 | 66% | 0.662 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -53.1 | -31 | 169.9 | -25.2 | 34.6 | 0 | 0 | 0 | 112.6 | L467 T469 | P465-L467 VanDerWaalsContact C-N 3.34Å; P465-T469 PolarHBondContact O-N 2.87Å; P465-T469 PolarHBondContact O-OG1 3Å |
| 466 | E | 37.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 89.4 Ų | 89.4 | 63% | 0.631 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.2 | -34.3 | 172 | -58.1 | 89 | -170.6 | 0 | 0 | 112.3 | S464 T469 L470 | S464-E466 WeakPolarHBondContact CB-OE2 3.29Å; S464-E466 PolarHBondContact O-N 3.46Å; S464-E466 VanDerWaalsContact O-N 3.16Å; S464-E466 WeakPolarHBondContact OG-CB 3.39Å; S464-E466 PolarHBondContact OG-N 3.31Å; S464-E466 PolarHBondContact OG-OE2 3.16Å; E466-T469 CarbonylContact O-C 3.53Å; E466-T469 WeakPolarHBondContact O-CB 3.43Å; E466-T469 PolarHBondContact O-N 2.95Å; E466-L470 VanDerWaalsContact O-CB 3.27Å; E466-L470 WeakPolarHBondContact O-CB 3.22Å; E466-L470 PolarHBondContact O-N 3.04Å |
| 467 | L | 40.7 | Very low | 35.8 | Very low | 35 Ų | 35 | 90.2 Ų | 90.2 | 18% | 0.183 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.6 | -38.3 | 178.1 | -176.1 | 63 | 0 | 0 | 0 | 112.9 | V460 Q462 S464 P465 T469 L470 L471 | V460-L467 HydrophobicContact CG1-CD1 4.22Å; V460-L467 HydrophobicContact CG1-CD2 3.2Å; V460-L467 HydrophobicContact CG1-CG 4.14Å; Q462-L467 WeakPolarHBondContact O-CD2 3.33Å; S464-L467 WeakPolarHBondContact O-CA 3.03Å; S464-L467 WeakPolarHBondContact O-CB 3.12Å; S464-L467 PolarHBondContact O-N 3.21Å; S464-L467 PolarHBondContact OG-N 3.3Å; P465-L467 VanDerWaalsContact C-N 3.34Å; L467-T469 PolarHBondContact O-N 3.19Å; L467-L470 HydrophobicContact CD1-CD2 4.29Å; L467-L470 PolarHBondContact O-N 2.89Å; L467-L471 HydrophobicContact CD1-CD1 4.42Å; L467-L471 HydrophobicContact CD1-CG 4.39Å; L467-L471 HydrophobicContact CG-CD1 4.07Å; L467-L471 VanDerWaalsContact O-CB 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.38Å; L467-L471 WeakPolarHBondContact O-CG 3.33Å; L467-L471 PolarHBondContact O-N 3.08Å |
| 468 | N | 41.1 | Very low | 36 | Very low | 97 Ų | 97 | 90.3 Ų | 90.3 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 171.5 | -81.4 | -33.3 | 0 | 0 | 0 | 111.5 | S464 K472 | S464-N468 PolarHBondContact O-N 3.22Å; N468-K472 PolarHBondContact O-N 2.89Å; N468-K472 VanDerWaalsContact O-N 3.17Å |
| 469 | T | 41.8 | Very low | 36.1 | Very low | 86 Ų | 86 | 93.6 Ų | 93.6 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -47.3 | 175.4 | -53 | 0 | 0 | 0 | 0 | 110.3 | P465 E466 L467 L471 K472 T473 | P465-T469 PolarHBondContact O-N 2.87Å; P465-T469 PolarHBondContact O-OG1 3Å; E466-T469 CarbonylContact O-C 3.53Å; E466-T469 WeakPolarHBondContact O-CB 3.43Å; E466-T469 PolarHBondContact O-N 2.95Å; L467-T469 PolarHBondContact O-N 3.19Å; T469-L471 PolarHBondContact O-N 3.07Å; T469-K472 CarbonylContact O-C 3.58Å; T469-K472 WeakPolarHBondContact O-CA 3.47Å; T469-K472 VanDerWaalsContact O-CB 3.31Å; T469-K472 WeakPolarHBondContact O-CB 3.24Å; T469-K472 PolarHBondContact O-N 3.47Å; T469-K472 VanDerWaalsContact O-N 3.16Å; T469-T473 PolarHBondContact O-N 3Å; T469-T473 PolarHBondContact O-OG1 3.04Å |
| 470 | L | 39.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 95.4 Ų | 95.4 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.3 | -169.8 | 75.9 | 0 | 0 | 0 | 111.6 | E466 L467 T473 V474 | E466-L470 VanDerWaalsContact O-CB 3.27Å; E466-L470 WeakPolarHBondContact O-CB 3.22Å; E466-L470 PolarHBondContact O-N 3.04Å; L467-L470 HydrophobicContact CD1-CD2 4.29Å; L467-L470 PolarHBondContact O-N 2.89Å; L470-T473 CarbonylContact O-C 3.47Å; L470-T473 PolarHBondContact O-N 3.12Å; L470-T473 VanDerWaalsContact O-N 3.15Å; L470-V474 HydrophobicContact CG-CG2 4.21Å; L470-V474 WeakPolarHBondContact O-CB 3.34Å; L470-V474 WeakPolarHBondContact O-CG2 3.41Å; L470-V474 PolarHBondContact O-N 2.89Å |
| 471 | L | 41.3 | Very low | 36.5 | Very low | 38 Ų | 38 | 98 Ų | 98 | 20% | 0.199 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.7 | -82.4 | 163.3 | 0 | 0 | 0 | 111 | F441 L467 T469 I475 | F441-L471 HydrophobicContact CZ-CD2 4.31Å; L467-L471 HydrophobicContact CD1-CD1 4.42Å; L467-L471 HydrophobicContact CD1-CG 4.39Å; L467-L471 HydrophobicContact CG-CD1 4.07Å; L467-L471 VanDerWaalsContact O-CB 3.28Å; L467-L471 WeakPolarHBondContact O-CB 3.38Å; L467-L471 WeakPolarHBondContact O-CG 3.33Å; L467-L471 PolarHBondContact O-N 3.08Å; T469-L471 PolarHBondContact O-N 3.07Å; L471-I475 VanDerWaalsContact O-CB 3.28Å; L471-I475 WeakPolarHBondContact O-CB 3.43Å; L471-I475 VanDerWaalsContact O-CD1 3.29Å; L471-I475 WeakPolarHBondContact O-CD1 3.31Å; L471-I475 WeakPolarHBondContact O-CG1 3.28Å; L471-I475 PolarHBondContact O-N 2.73Å |
| 472 | K | 40.3 | Very low | 36.1 | Very low | 145 Ų | 145 | 97.9 Ų | 97.9 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.2 | -46.9 | 169.8 | -102.3 | -175.9 | 173.3 | -176.3 | 0 | 111.4 | N468 T469 I475 E476 | N468-K472 PolarHBondContact O-N 2.89Å; N468-K472 VanDerWaalsContact O-N 3.17Å; T469-K472 CarbonylContact O-C 3.58Å; T469-K472 WeakPolarHBondContact O-CA 3.47Å; T469-K472 VanDerWaalsContact O-CB 3.31Å; T469-K472 WeakPolarHBondContact O-CB 3.24Å; T469-K472 PolarHBondContact O-N 3.47Å; T469-K472 VanDerWaalsContact O-N 3.16Å; K472-I475 PolarHBondContact O-N 3.24Å; K472-E476 WeakPolarHBondContact O-CB 3.46Å; K472-E476 VanDerWaalsContact O-CG 3.24Å; K472-E476 WeakPolarHBondContact O-CG 3.46Å; K472-E476 PolarHBondContact O-N 3.46Å |
| 473 | T | 38.6 | Very low | 36 | Very low | 68 Ų | 68 | 92.9 Ų | 92.9 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -39.6 | -178.4 | -39.8 | 0 | 0 | 0 | 0 | 112.9 | T469 L470 E476 Q477 | T469-T473 PolarHBondContact O-N 3Å; T469-T473 PolarHBondContact O-OG1 3.04Å; L470-T473 CarbonylContact O-C 3.47Å; L470-T473 PolarHBondContact O-N 3.12Å; L470-T473 VanDerWaalsContact O-N 3.15Å; T473-E476 CarbonylContact O-C 3.6Å; T473-E476 PolarHBondContact O-N 3.22Å; T473-Q477 VanDerWaalsContact O-CG 3.25Å; T473-Q477 WeakPolarHBondContact O-CG 3.25Å; T473-Q477 PolarHBondContact O-N 3.06Å; T473-Q477 VanDerWaalsContact O-N 3.09Å |
| 474 | V | 38.9 | Very low | 35.6 | Very low | 49 Ų | 49 | 98.1 Ų | 98.1 | 30% | 0.297 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 110.3 | L470 E476 Q477 Y480 | L470-V474 HydrophobicContact CG-CG2 4.21Å; L470-V474 WeakPolarHBondContact O-CB 3.34Å; L470-V474 WeakPolarHBondContact O-CG2 3.41Å; L470-V474 PolarHBondContact O-N 2.89Å; V474-E476 VanDerWaalsContact C-N 3.3Å; V474-E476 PolarHBondContact O-N 3.48Å; V474-Q477 PolarHBondContact O-N 3.22Å; V474-Y480 HydrophobicContact CG1-CD2 4.01Å; V474-Y480 HydrophobicContact CG1-CE2 3.73Å; V474-Y480 WeakPolarHBondContact O-CB 3.23Å; V474-Y480 WeakPolarHBondContact O-CD2 3.25Å |
| 475 | I | 37 | Very low | 35.5 | Very low | 95 Ų | 95 | 98.9 Ų | 98.9 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -33.3 | 174.2 | -68.2 | 166.6 | 0 | 0 | 0 | 111.3 | L471 K472 Q477 | L471-I475 VanDerWaalsContact O-CB 3.28Å; L471-I475 WeakPolarHBondContact O-CB 3.43Å; L471-I475 VanDerWaalsContact O-CD1 3.29Å; L471-I475 WeakPolarHBondContact O-CD1 3.31Å; L471-I475 WeakPolarHBondContact O-CG1 3.28Å; L471-I475 PolarHBondContact O-N 2.73Å; K472-I475 PolarHBondContact O-N 3.24Å; I475-Q477 VanDerWaalsContact C-N 3.35Å |
| 476 | E | 35.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 102.9 Ų | 102.9 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -81.1 | -8.1 | 177.9 | -73.6 | 172.8 | -175.2 | 0 | 0 | 113.9 | K472 T473 V474 | K472-E476 WeakPolarHBondContact O-CB 3.46Å; K472-E476 VanDerWaalsContact O-CG 3.24Å; K472-E476 WeakPolarHBondContact O-CG 3.46Å; K472-E476 PolarHBondContact O-N 3.46Å; T473-E476 CarbonylContact O-C 3.6Å; T473-E476 PolarHBondContact O-N 3.22Å; V474-E476 VanDerWaalsContact C-N 3.3Å; V474-E476 PolarHBondContact O-N 3.48Å |
| 477 | Q | 32 | Very low | 34.3 | Very low | 99 Ų | 99 | 100.7 Ų | 100.7 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -69 | 142.9 | 176.6 | -70.4 | -145.7 | -14.1 | 0 | 0 | 112.2 | T473 V474 I475 L479 Y480 S481 | T473-Q477 VanDerWaalsContact O-CG 3.25Å; T473-Q477 WeakPolarHBondContact O-CG 3.25Å; T473-Q477 PolarHBondContact O-N 3.06Å; T473-Q477 VanDerWaalsContact O-N 3.09Å; V474-Q477 PolarHBondContact O-N 3.22Å; I475-Q477 VanDerWaalsContact C-N 3.35Å; Q477-L479 PolarHBondContact O-N 3.32Å; Q477-L479 VanDerWaalsContact O-N 3.09Å; Q477-Y480 PolarHBondContact O-N 3.44Å; Q477-S481 PolarHBondContact O-N 2.79Å |
| 478 | P | 31.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 102.7 Ų | 102.7 | 69% | 0.688 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -57.8 | -30.2 | -176.5 | -22.4 | 31 | 0 | 0 | 0 | 113.9 | Y480 S481 | P478-Y480 PolarHBondContact O-N 3.22Å; P478-S481 WeakPolarHBondContact O-CB 3.44Å; P478-S481 PolarHBondContact O-N 2.79Å; P478-S481 PolarHBondContact O-OG 3.12Å |
| 479 | L | 29.6 | Very low | 33.8 | Very low | 152 Ų | 152 | 103.8 Ų | 103.8 | 80% | 0.796 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -67.3 | -23.2 | 176.2 | -81.2 | 155.2 | 0 | 0 | 0 | 113.1 | Q477 | Q477-L479 PolarHBondContact O-N 3.32Å; Q477-L479 VanDerWaalsContact O-N 3.09Å |
| 480 | Y | 33.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 104.6 Ų | 104.6 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -99.7 | -3.5 | 176 | -76.4 | -84.8 | 0 | 0 | 0 | 113.9 | V474 Q477 P478 I482 C483 | V474-Y480 HydrophobicContact CG1-CD2 4.01Å; V474-Y480 HydrophobicContact CG1-CE2 3.73Å; V474-Y480 WeakPolarHBondContact O-CB 3.23Å; V474-Y480 WeakPolarHBondContact O-CD2 3.25Å; Q477-Y480 PolarHBondContact O-N 3.44Å; P478-Y480 PolarHBondContact O-N 3.22Å; Y480-I482 PolarHBondContact O-N 3.19Å; Y480-C483 PolarHBondContact O-N 3.33Å |
| 481 | S | 29.4 | Very low | 33.7 | Very low | 80 Ų | 80 | 102.9 Ų | 102.9 | 56% | 0.559 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -9.1 | 179.5 | 68.5 | 0 | 0 | 0 | 0 | 114.7 | Q477 P478 | Q477-S481 PolarHBondContact O-N 2.79Å; P478-S481 WeakPolarHBondContact O-CB 3.44Å; P478-S481 PolarHBondContact O-N 2.79Å; P478-S481 PolarHBondContact O-OG 3.12Å |
| 482 | I | 30.8 | Very low | 33.8 | Very low | 96 Ų | 96 | 111.6 Ų | 111.6 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -15.6 | 177.7 | -40.5 | 178 | 0 | 0 | 0 | 112 | P446 Y480 | P446-I482 WeakPolarHBondContact CD-O 3.1Å; P446-I482 WeakPolarHBondContact CG-O 3.46Å; Y480-I482 PolarHBondContact O-N 3.19Å |
| 483 | C | 28.9 | Very low | 34.4 | Very low | 44 Ų | 44 | 111.5 Ų | 111.5 | 30% | 0.297 | 58% | 0.577 | S | S | . | * | trans | -112 | 80.5 | 178.4 | -81.4 | 0 | 0 | 0 | 0 | 111.6 | Y480 V485 | Y480-C483 PolarHBondContact O-N 3.33Å; C483-V485 PolarHBondContact O-N 3.36Å | ||
| 484 | R | 26.9 | Very low | 35.1 | Very low | 211 Ų | 211 | 111.4 Ų | 111.4 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | trans | -74.1 | 92.7 | 169.8 | -75.4 | -169.1 | -177.4 | -174.9 | 1.7 | 110.2 | K486 | R484-K486 PolarHBondContact O-N 3.46Š| ||
| 485 | V | 30 | Very low | 36.1 | Very low | 59 Ų | 59 | 112.8 Ų | 112.8 | 36% | 0.358 | 59% | 0.59 | S | S | . | * | trans | -59.7 | 106.7 | 167.3 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | C483 S487 L488 | C483-V485 PolarHBondContact O-N 3.36Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 3.07Å; V485-L488 HydrophobicContact CG1-CB 4.04Å | ||
| 486 | K | 26.6 | Very low | 37.5 | Very low | 186 Ų | 186 | 115 Ų | 115 | 81% | 0.809 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -67.1 | -31.8 | -177.4 | -85 | -173.9 | 175.5 | 179.1 | 0 | 113.5 | R484 | R484-K486 PolarHBondContact O-N 3.46Š|
| 487 | S | 27.1 | Very low | 39 | Very low | 88 Ų | 88 | 109.8 Ų | 109.8 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | trans | -161.5 | 126.3 | 173.8 | 63.1 | 0 | 0 | 0 | 0 | 110 | V485 | V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 3.07Å | ||
| 488 | L | 34.9 | Very low | 40.9 | Very low | 78 Ų | 78 | 105.5 Ų | 105.5 | 41% | 0.408 | 55% | 0.549 | S | S | . | . | trans | -107.3 | 117.3 | 172.6 | -175.1 | 69.3 | 0 | 0 | 0 | 108.1 | V485 I490 | V485-L488 HydrophobicContact CG1-CB 4.04Å; L488-I490 HydrophobicContact CD2-CD1 3.67Å; L488-I490 HydrophobicContact CD2-CG1 3.71Å; L488-I490 HydrophobicContact CG-CD1 4.28Å; L488-I490 HydrophobicContact CG-CG1 3.75Å | ||
| 489 | T | 35.8 | Very low | 42.8 | Very low | 119 Ų | 119 | 105 Ų | 105 | 73% | 0.73 | 56% | 0.555 | S | S | * | * | trans | -98.4 | 100.5 | 173 | -50.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 490 | I | 39.2 | Very low | 45.1 | Very low | 103 Ų | 103 | 100.5 Ų | 100.5 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | trans | -89.5 | 124.3 | 175.9 | -53.9 | 177.9 | 0 | 0 | 0 | 108 | M439 L488 | M439-I490 HydrophobicContact CE-CD1 4.43Å; M439-I490 HydrophobicContact CE-CG2 4Å; L488-I490 HydrophobicContact CD2-CD1 3.67Å; L488-I490 HydrophobicContact CD2-CG1 3.71Å; L488-I490 HydrophobicContact CG-CD1 4.28Å; L488-I490 HydrophobicContact CG-CG1 3.75Å | ||
| 491 | G | 40.9 | Very low | 47.5 | Very low | 64 Ų | 64 | 98.4 Ų | 98.4 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | trans | -64.8 | 140.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R493 | G491-R493 VanDerWaalsContact C-N 3.29Å; G491-R493 PolarHBondContact O-N 2.98Å | ||
| 492 | K | 43.4 | Very low | 50 | Low | 222 Ų | 222 | 100.8 Ų | 100.8 | 97% | 0.965 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -63 | -34.2 | 179.5 | -72 | -176.6 | 178.6 | 178.5 | 0 | 113 | ||
| 493 | R | 52 | Low | 52.4 | Low | 143 Ų | 143 | 96.7 Ų | 96.7 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | trans | -165.2 | 144.3 | -175.7 | -169.5 | 176.3 | 179.3 | -165.7 | -0.8 | 110.8 | E339 G491 Y495 | E339-R493 IonicContact OE1-CZ 3.87Å; E339-R493 IonicContact OE1-NH2 2.81Å; E339-R493 PolarHBondContact OE1-NH2 2.93Å; E339-R493 IonicContact OE2-CZ 2.74Å; E339-R493 IonicContact OE2-NH2 3.62Å; E339-R493 PolarHBondContact OE2-NH2 3.16Å; G491-R493 VanDerWaalsContact C-N 3.29Å; G491-R493 PolarHBondContact O-N 2.98Å; R493-Y495 HydrophobicContact CG-CD1 4.33Å | ||
| 494 | G | 53.2 | Low | 55.1 | Low | 66 Ų | 66 | 96.3 Ų | 96.3 | 68% | 0.68 | 51% | 0.506 | S | S | * | . | trans | -107.4 | 140.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 495 | Y | 60.5 | Low | 57.9 | Low | 78 Ų | 78 | 87.3 Ų | 87.3 | 31% | 0.306 | 47% | 0.473 | S | S | . | . | trans | -150.2 | 158.2 | 179.5 | 51.3 | -91.8 | 0 | 0 | 0 | 110.2 | I341 R493 I497 Q507 | I341-Y495 HydrophobicContact CD1-CD1 4.15Å; I341-Y495 HydrophobicContact CD1-CD2 3.43Å; I341-Y495 VanDerWaalsContact CD1-CD2 3.43Å; I341-Y495 HydrophobicContact CD1-CE1 4.48Å; I341-Y495 HydrophobicContact CD1-CE2 3.82Å; I341-Y495 HydrophobicContact CD1-CG 3.62Å; I341-Y495 HydrophobicContact CG1-CD2 4.01Å; I341-Y495 HydrophobicContact CG1-CG 4.27Å; R493-Y495 HydrophobicContact CG-CD1 4.33Å; Y495-I497 HydrophobicContact CD2-CG1 4.24Å; Y495-I497 HydrophobicContact CE2-CG1 4.04Å; Y495-Q507 PolarHBondContact OH-OE1 2.58Å | ||
| 496 | R | 65 | Low | 60.4 | Low | 142 Ų | 142 | 85.2 Ų | 85.2 | 54% | 0.536 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135.7 | 172.6 | -176.5 | 175 | 178 | 170.6 | -1.1 | 108.7 | I338 E339 T340 I341 | I338-R496 HydrophobicContact CG2-CB 4.24Å; E339-R496 PolarHBondContact O-N 2.69Å; T340-R496 CarbonylContact C-O 3.15Å; T340-R496 WeakPolarHBondContact CA-O 3.42Å; I341-R496 PolarHBondContact N-O 3.39Å |
| 497 | I | 68.7 | Low | 63.1 | Low | 35 Ų | 35 | 77.1 Ų | 77.1 | 18% | 0.179 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 133.9 | 170.5 | -52.2 | 173.6 | 0 | 0 | 0 | 106.9 | Y495 A499 A503 M504 Q507 I514 | Y495-I497 HydrophobicContact CD2-CG1 4.24Å; Y495-I497 HydrophobicContact CE2-CG1 4.04Å; I497-A499 PolarHBondContact O-N 3.3Å; I497-A503 HydrophobicContact CG2-CB 3.85Å; I497-M504 HydrophobicContact CG2-CG 4.24Å; I497-Q507 HydrophobicContact CD1-CB 3.69Å; I497-Q507 HydrophobicContact CD1-CG 3.84Å; I497-Q507 HydrophobicContact CG1-CB 4.39Å; I497-Q507 HydrophobicContact CG1-CG 3.98Å; I497-Q507 HydrophobicContact CG2-CG 3.96Å; I497-I514 HydrophobicContact CD1-CB 4.04Å; I497-I514 HydrophobicContact CD1-CD1 4.2Å; I497-I514 HydrophobicContact CD1-CG2 3.72Å |
| 498 | A | 71 | Confident | 65.9 | Low | 8 Ų | 8 | 72.9 Ų | 72.9 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 141.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | T340 I341 D342 T500 A503 | T340-A498 HydrophobicContact CG2-CB 3.98Å; I341-A498 PolarHBondContact O-N 2.04Å; I341-A498 VanDerWaalsContact O-N 3.14Å; D342-A498 HydrophobicContact CB-CB 3.89Å; D342-A498 VanDerWaalsContact OD1-CB 3.23Å; D342-A498 WeakPolarHBondContact OD1-CB 3.16Å; A498-T500 PolarHBondContact O-N 2.64Å; A498-A503 HydrophobicContact CB-CB 4.06Å |
| 499 | A | 72.4 | Confident | 68.3 | Low | 97 Ų | 97 | 72.9 Ų | 72.9 | 80% | 0.802 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -78.2 | 49.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I497 | I497-A499 PolarHBondContact O-N 3.3Š|
| 500 | T | 77.9 | Confident | 70.5 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -116.4 | 142.9 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 109.2 | A498 Q502 A503 M504 | A498-T500 PolarHBondContact O-N 2.64Å; T500-Q502 VanDerWaalsContact C-N 3.26Å; T500-Q502 PolarHBondContact O-N 3.29Å; T500-A503 PolarHBondContact O-N 3.1Å; T500-A503 WeakPolarHBondContact OG1-CB 3.35Å; T500-A503 PolarHBondContact OG1-N 3.08Å; T500-M504 WeakPolarHBondContact O-CG 3.44Å; T500-M504 PolarHBondContact O-N 3.16Å; T500-M504 VanDerWaalsContact O-N 3.13Å |
| 501 | E | 83 | Confident | 72.5 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.5 | -47 | 179.3 | -173.8 | -172.5 | 159.1 | 0 | 0 | 110.8 | A503 M504 M505 K557 W559 | E501-A503 PolarHBondContact O-N 2.78Å; E501-M504 PolarHBondContact O-N 3.42Å; E501-M505 HydrophobicContact CG-CG 4.37Å; E501-M505 HydrophobicContact CG-SD 3.8Å; E501-M505 VanDerWaalsContact O-CG 3.24Å; E501-M505 WeakPolarHBondContact O-CG 3.37Å; E501-M505 PolarHBondContact O-N 3.22Å; E501-K557 WeakPolarHBondContact OE1-CD 3.46Å; E501-K557 IonicContact OE1-NZ 3.04Å; E501-K557 PolarHBondContact OE1-NZ 2.73Å; E501-K557 IonicContact OE2-NZ 3.04Å; E501-K557 PolarHBondContact OE2-NZ 3.28Å; E501-W559 HydrophobicContact CG-CZ2 4.18Å |
| 502 | Q | 82.3 | Confident | 74.4 | Confident | 129 Ų | 129 | 69 Ų | 69 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | -179.1 | -70.3 | -175 | -19 | 0 | 0 | 113.4 | T500 M505 K506 | T500-Q502 VanDerWaalsContact C-N 3.26Å; T500-Q502 PolarHBondContact O-N 3.29Å; Q502-M505 PolarHBondContact O-N 3.13Å; Q502-K506 VanDerWaalsContact O-CB 3.31Å; Q502-K506 WeakPolarHBondContact O-CB 3.33Å; Q502-K506 PolarHBondContact O-N 3.42Å |
| 503 | A | 80.4 | Confident | 76.2 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I497 A498 T500 E501 Q507 | I497-A503 HydrophobicContact CG2-CB 3.85Å; A498-A503 HydrophobicContact CB-CB 4.06Å; T500-A503 PolarHBondContact O-N 3.1Å; T500-A503 WeakPolarHBondContact OG1-CB 3.35Å; T500-A503 PolarHBondContact OG1-N 3.08Å; E501-A503 PolarHBondContact O-N 2.78Å; A503-Q507 WeakPolarHBondContact O-CB 3.14Å; A503-Q507 VanDerWaalsContact O-CG 3.25Å; A503-Q507 WeakPolarHBondContact O-CG 3.44Å; A503-Q507 PolarHBondContact O-N 2.04Å |
| 504 | M | 85.9 | Confident | 77.6 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 18% | 0.177 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 176.7 | -70 | 178 | 62.1 | 0 | 0 | 112.1 | I497 T500 E501 K506 Q507 L508 I514 A516 W559 | I497-M504 HydrophobicContact CG2-CG 4.24Å; T500-M504 WeakPolarHBondContact O-CG 3.44Å; T500-M504 PolarHBondContact O-N 3.16Å; T500-M504 VanDerWaalsContact O-N 3.13Å; E501-M504 PolarHBondContact O-N 3.42Å; M504-K506 PolarHBondContact O-N 3.13Å; M504-Q507 PolarHBondContact O-N 3.25Å; M504-L508 VanDerWaalsContact O-CB 3.28Å; M504-L508 WeakPolarHBondContact O-CB 3.46Å; M504-L508 PolarHBondContact O-N 2.98Å; M504-I514 HydrophobicContact CB-CD1 3.84Å; M504-I514 HydrophobicContact CE-CD1 4.07Å; M504-I514 HydrophobicContact CG-CD1 4.12Å; M504-A516 HydrophobicContact CE-CB 4.07Å; M504-W559 HydrophobicContact CB-CH2 3.68Å; M504-W559 HydrophobicContact CB-CZ2 4.19Å; M504-W559 HydrophobicContact CB-CZ3 4.5Å; M504-W559 HydrophobicContact CE-CH2 4.32Å; M504-W559 HydrophobicContact CE-CZ2 4.1Å; M504-W559 HydrophobicContact SD-CZ2 4.44Å |
| 505 | M | 86.5 | Confident | 78.8 | Confident | 22 Ų | 22 | 55 Ų | 55 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.7 | -67.4 | 170.6 | 85 | 0 | 0 | 111.4 | L349 E501 Q502 L508 Y509 W550 W559 | L349-M505 HydrophobicContact CB-CE 4.34Å; L349-M505 HydrophobicContact CD1-CB 3.61Å; L349-M505 HydrophobicContact CD1-CE 4.35Å; L349-M505 HydrophobicContact CD1-SD 4.28Å; E501-M505 HydrophobicContact CG-CG 4.37Å; E501-M505 HydrophobicContact CG-SD 3.8Å; E501-M505 VanDerWaalsContact O-CG 3.24Å; E501-M505 WeakPolarHBondContact O-CG 3.37Å; E501-M505 PolarHBondContact O-N 3.22Å; Q502-M505 PolarHBondContact O-N 3.13Å; M505-L508 PolarHBondContact O-N 3.18Å; M505-Y509 VanDerWaalsContact O-CB 3.26Å; M505-Y509 WeakPolarHBondContact O-CB 3.01Å; M505-Y509 PolarHBondContact O-N 3.14Å; M505-W550 HydrophobicContact CB-CE3 4.32Å; M505-W550 HydrophobicContact CB-CH2 4.19Å; M505-W550 HydrophobicContact CB-CZ2 4.42Å; M505-W550 HydrophobicContact CB-CZ3 4.13Å; M505-W550 HydrophobicContact CE-CD2 3.85Å; M505-W550 HydrophobicContact CE-CG 4.02Å; M505-W550 HydrophobicContact CE-CZ2 3.85Å; M505-W550 HydrophobicContact CG-CD2 4.13Å; M505-W550 HydrophobicContact CG-CE3 4.16Å; M505-W550 HydrophobicContact CG-CZ3 4.46Å; M505-W559 HydrophobicContact CG-CH2 3.58Å; M505-W559 HydrophobicContact CG-CZ3 4.02Å |
| 506 | K | 82.8 | Confident | 79.7 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 179.4 | -179.4 | 174.7 | 171.4 | -178.7 | 0 | 112.1 | D343 S345 V347 Q502 M504 Y509 Q510 | D343-K506 PolarHBondContact O-NZ 3.06Å; D343-K506 IonicContact OD1-NZ 3.5Å; D343-K506 IonicContact OD2-NZ 3.46Å; D343-K506 PolarHBondContact OD2-NZ 2.99Å; S345-K506 PolarHBondContact O-NZ 3.25Å; S345-K506 PolarHBondContact OG-NZ 2.9Å; V347-K506 HydrophobicContact CG2-CD 4.21Å; V347-K506 HydrophobicContact CG2-CG 4.45Å; Q502-K506 VanDerWaalsContact O-CB 3.31Å; Q502-K506 WeakPolarHBondContact O-CB 3.33Å; Q502-K506 PolarHBondContact O-N 3.42Å; M504-K506 PolarHBondContact O-N 3.13Å; K506-Y509 PolarHBondContact O-N 2.62Å; K506-Q510 WeakPolarHBondContact O-CB 3.08Å; K506-Q510 WeakPolarHBondContact O-CG 3.31Å; K506-Q510 PolarHBondContact O-N 3.02Å |
| 507 | Q | 82.2 | Confident | 80.1 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 177.5 | -70.6 | -61.9 | -34.1 | 0 | 0 | 111.7 | Y495 I497 A503 M504 N511 I514 | Y495-Q507 PolarHBondContact OH-OE1 2.58Å; I497-Q507 HydrophobicContact CD1-CB 3.69Å; I497-Q507 HydrophobicContact CD1-CG 3.84Å; I497-Q507 HydrophobicContact CG1-CB 4.39Å; I497-Q507 HydrophobicContact CG1-CG 3.98Å; I497-Q507 HydrophobicContact CG2-CG 3.96Å; A503-Q507 WeakPolarHBondContact O-CB 3.14Å; A503-Q507 VanDerWaalsContact O-CG 3.25Å; A503-Q507 WeakPolarHBondContact O-CG 3.44Å; A503-Q507 PolarHBondContact O-N 2.04Å; M504-Q507 PolarHBondContact O-N 3.25Å; Q507-N511 WeakPolarHBondContact O-CA 3.48Å; Q507-N511 WeakPolarHBondContact O-CB 3.25Å; Q507-N511 PolarHBondContact O-N 3.23Å; Q507-N511 PolarHBondContact OE1-ND2 3.13Å; Q507-I514 HydrophobicContact CB-CG2 4.09Å |
| 508 | L | 85.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 175.2 | 175.4 | 59 | 0 | 0 | 0 | 112.2 | F353 W359 M504 M505 G512 I514 I547 W550 W559 | F353-L508 HydrophobicContact CD1-CD2 4.23Å; F353-L508 HydrophobicContact CD1-CG 4.06Å; F353-L508 HydrophobicContact CE1-CD1 4.19Å; F353-L508 HydrophobicContact CE1-CD2 4.43Å; F353-L508 HydrophobicContact CE1-CG 3.81Å; W359-L508 VanDerWaalsContact CH2-O 3.3Å; W359-L508 WeakPolarHBondContact CH2-O 3.13Å; M504-L508 VanDerWaalsContact O-CB 3.28Å; M504-L508 WeakPolarHBondContact O-CB 3.46Å; M504-L508 PolarHBondContact O-N 2.98Å; M505-L508 PolarHBondContact O-N 3.18Å; L508-G512 WeakPolarHBondContact CA-O 3.49Å; L508-G512 WeakPolarHBondContact CD1-O 3.16Å; L508-G512 WeakPolarHBondContact O-CA 3.47Å; L508-G512 PolarHBondContact O-N 3.11Å; L508-G512 VanDerWaalsContact O-N 3.15Å; L508-I514 HydrophobicContact CB-CG2 4.41Å; L508-I547 HydrophobicContact CD2-CG2 3.92Å; L508-W550 HydrophobicContact CB-CZ3 4.02Å; L508-W550 HydrophobicContact CD2-CE3 3.52Å; L508-W550 HydrophobicContact CD2-CZ3 3.58Å; L508-W550 HydrophobicContact CG-CE3 4.25Å; L508-W550 HydrophobicContact CG-CZ3 3.78Å; L508-W559 HydrophobicContact CD2-CZ3 4.38Å |
| 509 | Y | 85.9 | Confident | 80.7 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 179.5 | -170.5 | -114.3 | 0 | 0 | 0 | 112.9 | V347 L349 P350 F353 W359 M505 K506 W550 | V347-Y509 HydrophobicContact CG1-CD1 4.36Å; V347-Y509 HydrophobicContact CG1-CE1 4.47Å; L349-Y509 HydrophobicContact CD2-CD1 4.01Å; L349-Y509 HydrophobicContact CD2-CG 3.86Å; P350-Y509 HydrophobicContact CG-CD2 4.49Å; P350-Y509 HydrophobicContact CG-CE2 4.15Å; F353-Y509 AromaticContact CD2-CD2 3.66Å; F353-Y509 HydrophobicContact CD2-CD2 3.66Å; F353-Y509 HydrophobicContact CD2-CE2 4.01Å; F353-Y509 AromaticContact CE2-CD2 3.52Å; F353-Y509 HydrophobicContact CE2-CD2 3.52Å; F353-Y509 AromaticContact CE2-CE2 3.92Å; F353-Y509 HydrophobicContact CE2-CE2 3.92Å; F353-Y509 HydrophobicContact CG-CD2 4.39Å; F353-Y509 HydrophobicContact CZ-CD2 4.17Å; W359-Y509 WeakPolarHBondContact CH2-O 3.47Å; W359-Y509 WeakPolarHBondContact CZ2-O 3.44Å; M505-Y509 VanDerWaalsContact O-CB 3.26Å; M505-Y509 WeakPolarHBondContact O-CB 3.01Å; M505-Y509 PolarHBondContact O-N 3.14Å; K506-Y509 PolarHBondContact O-N 2.62Å; Y509-W550 HydrophobicContact CD2-CH2 4.16Å; Y509-W550 HydrophobicContact CG-CH2 4.45Å |
| 510 | Q | 82.8 | Confident | 80.9 | Confident | 95 Ų | 95 | 47.6 Ų | 47.6 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -87.7 | -35.4 | -172.5 | -67 | -177.3 | -37.3 | 0 | 0 | 113.1 | K506 | K506-Q510 WeakPolarHBondContact O-CB 3.08Å; K506-Q510 WeakPolarHBondContact O-CG 3.31Å; K506-Q510 PolarHBondContact O-N 3.02Å |
| 511 | N | 80.3 | Confident | 80.9 | Confident | 102 Ų | 102 | 48.2 Ų | 48.2 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -118.3 | -5.4 | -167.8 | -60.4 | -51.1 | 0 | 0 | 0 | 113.9 | Q507 | Q507-N511 WeakPolarHBondContact O-CA 3.48Å; Q507-N511 WeakPolarHBondContact O-CB 3.25Å; Q507-N511 PolarHBondContact O-N 3.23Å; Q507-N511 PolarHBondContact OE1-ND2 3.13Å |
| 512 | G | 81.1 | Confident | 80.3 | Confident | 6 Ų | 6 | 45 Ų | 45 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | trans | 91.5 | -169.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W359 L508 I514 | W359-G512 VanDerWaalsContact CH2-CA 3.45Å; L508-G512 WeakPolarHBondContact CA-O 3.49Å; L508-G512 WeakPolarHBondContact CD1-O 3.16Å; L508-G512 WeakPolarHBondContact O-CA 3.47Å; L508-G512 PolarHBondContact O-N 3.11Å; L508-G512 VanDerWaalsContact O-N 3.15Å; G512-I514 PolarHBondContact O-N 3.06Å | ||
| 513 | P | 82.3 | Confident | 79.8 | Confident | 50 Ų | 50 | 39.4 Ų | 39.4 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | trans | -50.9 | 133.1 | -171.3 | -30.7 | 36.7 | 0 | 0 | 0 | 114.7 | A355 I366 R546 I547 I548 | A355-P513 HydrophobicContact CB-CG 4.17Å; I366-P513 HydrophobicContact CG1-CG 4.25Å; I366-P513 HydrophobicContact CG2-CG 4.16Å; P513-R546 HydrophobicContact CB-CG 3.79Å; P513-I547 VanDerWaalsContact CA-O 3.27Å; P513-I547 WeakPolarHBondContact CA-O 3.06Å; P513-I548 HydrophobicContact CB-CG2 4.13Å; P513-I548 HydrophobicContact CG-CG2 4.13Å | ||
| 514 | I | 81.2 | Confident | 79.8 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 158.5 | 179.8 | 64.4 | 173.3 | 0 | 0 | 0 | 111.2 | I497 M504 Q507 L508 G512 R546 I547 | I497-I514 HydrophobicContact CD1-CB 4.04Å; I497-I514 HydrophobicContact CD1-CD1 4.2Å; I497-I514 HydrophobicContact CD1-CG2 3.72Å; M504-I514 HydrophobicContact CB-CD1 3.84Å; M504-I514 HydrophobicContact CE-CD1 4.07Å; M504-I514 HydrophobicContact CG-CD1 4.12Å; Q507-I514 HydrophobicContact CB-CG2 4.09Å; L508-I514 HydrophobicContact CB-CG2 4.41Å; G512-I514 PolarHBondContact O-N 3.06Å; I514-R546 CarbonylContact O-C 3.44Å; I514-R546 WeakPolarHBondContact O-CA 3.43Å; I514-I547 HydrophobicContact CG1-CB 3.85Å; I514-I547 HydrophobicContact CG1-CG1 4.3Å; I514-I547 PolarHBondContact N-O 2.89Å; I514-I547 VanDerWaalsContact N-O 3.12Å; I514-I547 PolarHBondContact O-N 3.44Å |
| 515 | V | 78.2 | Confident | 78.9 | Confident | 73 Ų | 73 | 38 Ų | 38 | 44% | 0.442 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.2 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | A544 V545 | V515-A544 HydrophobicContact CG1-CB 4.13Å; V515-V545 WeakPolarHBondContact CA-O 3Å |
| 516 | A | 78.2 | Confident | 77.9 | Confident | 17 Ų | 17 | 39.6 Ų | 39.6 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 145.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M504 A544 V545 I547 | M504-A516 HydrophobicContact CE-CB 4.07Å; A516-A544 CarbonylContact O-C 3.42Å; A516-A544 VanDerWaalsContact O-CA 3.3Å; A516-A544 WeakPolarHBondContact O-CA 3.35Å; A516-V545 HydrophobicContact CB-CG2 4.47Å; A516-V545 PolarHBondContact N-O 3.08Å; A516-V545 PolarHBondContact O-N 2.68Å; A516-I547 HydrophobicContact CB-CD1 3.98Å; A516-I547 HydrophobicContact CB-CG1 3.56Å |
| 517 | T | 74.3 | Confident | 77.2 | Confident | 83 Ų | 83 | 40.7 Ų | 40.7 | 51% | 0.509 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.2 | 168.1 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | H543 A544 | T517-H543 VanDerWaalsContact CA-O 3.29Å; T517-H543 WeakPolarHBondContact CA-O 3.4Å; T517-A544 HydrophobicContact CG2-CB 4.03Å |
| 518 | F | 73.7 | Confident | 76.1 | Confident | 63 Ų | 63 | 45.2 Ų | 45.2 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 156.6 | 178.7 | 72.4 | -68.5 | 0 | 0 | 0 | 109.9 | V520 L524 Y542 H543 V545 | F518-V520 HydrophobicContact CD2-CG2 4.44Å; F518-V520 HydrophobicContact CE1-CG2 4.27Å; F518-V520 HydrophobicContact CE2-CG2 3.81Å; F518-V520 HydrophobicContact CZ-CG2 3.7Å; F518-V520 PolarHBondContact O-N 2.78Å; F518-L524 HydrophobicContact CE2-CD2 3.62Å; F518-L524 HydrophobicContact CZ-CD2 3.68Å; F518-Y542 WeakPolarHBondContact O-CA 3.3Å; F518-H543 VanDerWaalsContact CD1-O 3.28Å; F518-H543 WeakPolarHBondContact CD1-O 3.3Å; F518-H543 HydrophobicContact CE1-CB 4.04Å; F518-H543 HydrophobicContact CZ-CB 4.47Å; F518-H543 PolarHBondContact N-O 2.72Å; F518-H543 PolarHBondContact O-N 3.01Å; F518-V545 HydrophobicContact CD1-CG1 4.37Å; F518-V545 HydrophobicContact CD1-CG2 3.82Å; F518-V545 HydrophobicContact CE1-CB 4.25Å; F518-V545 HydrophobicContact CE1-CG1 3.51Å; F518-V545 HydrophobicContact CE1-CG2 3.8Å; F518-V545 HydrophobicContact CZ-CG1 4.22Å |
| 519 | T | 77.3 | Confident | 75.3 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 123.1 | 173.6 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | Y521 N539 Y542 | T519-Y521 HydrophobicContact CG2-CD2 4.24Å; T519-Y521 HydrophobicContact CG2-CE1 4.28Å; T519-Y521 HydrophobicContact CG2-CE2 3.71Å; T519-N539 HydrophobicContact CG2-CB 4.08Å; T519-N539 VanDerWaalsContact CG2-ND2 3.34Å; T519-N539 WeakPolarHBondContact CG2-ND2 3.24Å; T519-Y542 WeakPolarHBondContact OG1-CE1 3.44Å |
| 520 | V | 77.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.5 | 173.6 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | L324 F518 L524 Y525 A540 G541 H543 | L324-V520 HydrophobicContact CD1-CB 3.84Å; L324-V520 HydrophobicContact CD1-CG1 3.91Å; L324-V520 HydrophobicContact CD1-CG2 4.44Å; L324-V520 HydrophobicContact CD2-CB 4.29Å; L324-V520 HydrophobicContact CD2-CG1 4.1Å; L324-V520 HydrophobicContact CD2-CG2 4.14Å; F518-V520 HydrophobicContact CD2-CG2 4.44Å; F518-V520 HydrophobicContact CE1-CG2 4.27Å; F518-V520 HydrophobicContact CE2-CG2 3.81Å; F518-V520 HydrophobicContact CZ-CG2 3.7Å; F518-V520 PolarHBondContact O-N 2.78Å; V520-L524 HydrophobicContact CB-CD2 4.45Å; V520-L524 HydrophobicContact CG1-CB 4.39Å; V520-L524 HydrophobicContact CG1-CD2 3.92Å; V520-L524 HydrophobicContact CG2-CD2 3.99Å; V520-Y525 HydrophobicContact CG1-CE1 3.89Å; V520-A540 PolarHBondContact O-N 3.05Å; V520-G541 PolarHBondContact N-O 3.29Å; V520-H543 HydrophobicContact CG2-CB 3.32Å |
| 521 | Y | 77.2 | Confident | 74.7 | Confident | 71 Ų | 71 | 46 Ų | 46 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 154 | 170.6 | -64.2 | -89.2 | 0 | 0 | 0 | 110.2 | T519 D523 L524 H534 I538 N539 | T519-Y521 HydrophobicContact CG2-CD2 4.24Å; T519-Y521 HydrophobicContact CG2-CE1 4.28Å; T519-Y521 HydrophobicContact CG2-CE2 3.71Å; Y521-D523 WeakPolarHBondContact CB-OD1 3.48Å; Y521-D523 PolarHBondContact O-N 3.44Å; Y521-D523 VanDerWaalsContact O-N 3.14Å; Y521-L524 VanDerWaalsContact O-CB 3.28Å; Y521-L524 WeakPolarHBondContact O-CB 3.31Å; Y521-L524 PolarHBondContact O-N 2.75Å; Y521-H534 VanDerWaalsContact CB-CE1 3.45Å; Y521-H534 WeakPolarHBondContact CB-CE1 3.02Å; Y521-H534 WeakPolarHBondContact CB-ND1 3.17Å; Y521-H534 AromaticContact CD1-CE1 3.33Å; Y521-H534 WeakPolarHBondContact CD1-CE1 3.29Å; Y521-H534 AromaticContact CD1-ND1 3.84Å; Y521-H534 AromaticContact CD1-NE2 3.52Å; Y521-H534 HydrophobicContact CD2-CB 3.91Å; Y521-H534 AromaticContact CD2-CD2 3.73Å; Y521-H534 AromaticContact CD2-CE1 3.89Å; Y521-H534 AromaticContact CD2-CG 3.43Å; Y521-H534 VanDerWaalsContact CD2-CG 3.43Å; Y521-H534 AromaticContact CD2-ND1 3.58Å; Y521-H534 AromaticContact CE1-CE1 3.98Å; Y521-H534 AromaticContact CE1-NE2 3.67Å; Y521-H534 HydrophobicContact CE2-CB 4.35Å; Y521-H534 AromaticContact CE2-CD2 3.74Å; Y521-H534 AromaticContact CE2-CG 3.88Å; Y521-H534 HydrophobicContact CG-CB 4.49Å; Y521-H534 AromaticContact CG-CD2 3.9Å; Y521-H534 AromaticContact CG-CE1 3.27Å; Y521-H534 AromaticContact CG-CG 3.63Å; Y521-H534 AromaticContact CG-ND1 3.26Å; Y521-H534 VanDerWaalsContact CG-ND1 3.26Å; Y521-H534 AromaticContact CG-NE2 3.7Å; Y521-H534 AromaticContact CZ-CD2 3.94Å; Y521-H534 AromaticContact CZ-NE2 3.96Å; Y521-I538 CarbonylContact C-O 3.56Å; Y521-I538 VanDerWaalsContact CA-O 3.22Å; Y521-I538 WeakPolarHBondContact CA-O 3.16Å; Y521-N539 HydrophobicContact CD1-CB 4.23Å; Y521-N539 HydrophobicContact CE1-CB 4.02Å |
| 522 | T | 70.4 | Confident | 74.7 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -65.8 | -16.7 | -174.7 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | L524 Y525 Y526 G537 I538 A540 | T522-L524 VanDerWaalsContact C-N 3.32Å; T522-Y525 HydrophobicContact CG2-CD2 4.18Å; T522-Y525 HydrophobicContact CG2-CE2 3.53Å; T522-Y525 WeakPolarHBondContact O-CB 3.2Å; T522-Y525 WeakPolarHBondContact O-CD2 3.23Å; T522-Y525 PolarHBondContact O-N 2.74Å; T522-Y526 WeakPolarHBondContact O-CD2 3.42Å; T522-Y526 WeakPolarHBondContact O-CE2 3.35Å; T522-G537 WeakPolarHBondContact OG1-CA 3.23Å; T522-I538 HydrophobicContact CG2-CD1 3.72Å; T522-I538 HydrophobicContact CG2-CG1 3.22Å; T522-I538 PolarHBondContact N-O 3.39Å; T522-I538 PolarHBondContact OG1-N 3.34Å; T522-I538 VanDerWaalsContact OG1-N 3.15Å; T522-A540 HydrophobicContact CG2-CB 4.1Å |
| 523 | D | 72.1 | Confident | 74.7 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -67.5 | -29.5 | 171.3 | 56.9 | -14.6 | 0 | 0 | 0 | 113 | Y521 Y525 Y526 Y532 H534 K535 K536 | Y521-D523 WeakPolarHBondContact CB-OD1 3.48Å; Y521-D523 PolarHBondContact O-N 3.44Å; Y521-D523 VanDerWaalsContact O-N 3.14Å; D523-Y525 PolarHBondContact O-N 2.81Å; D523-Y525 VanDerWaalsContact O-N 3.11Å; D523-Y526 WeakPolarHBondContact O-CB 3.37Å; D523-Y526 PolarHBondContact O-N 3.25Å; D523-Y532 PolarHBondContact OD1-OH 3.05Å; D523-H534 IonicContact OD1-CE1 2.64Å; D523-H534 IonicContact OD1-ND1 3.88Å; D523-H534 PolarHBondContact OD1-ND1 3.21Å; D523-H534 VanDerWaalsContact OD1-ND1 3.1Å; D523-H534 WeakPolarHBondContact OD2-CA 3.37Å; D523-H534 IonicContact OD2-CE1 3.47Å; D523-H534 IonicContact OD2-CG 3.31Å; D523-H534 IonicContact OD2-ND1 2.73Å; D523-H534 PolarHBondContact OD2-ND1 2.79Å; D523-K535 PolarHBondContact OD2-N 3.07Å; D523-K536 WeakPolarHBondContact CB-O 3.36Å; D523-K536 PolarHBondContact OD2-N 3.26Å |
| 524 | L | 80.1 | Confident | 74.4 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -57.3 | -26.5 | 174.1 | -173.6 | 63.1 | 0 | 0 | 0 | 112.7 | F518 V520 Y521 T522 Y526 Y527 Y532 W565 W569 | F518-L524 HydrophobicContact CE2-CD2 3.62Å; F518-L524 HydrophobicContact CZ-CD2 3.68Å; V520-L524 HydrophobicContact CB-CD2 4.45Å; V520-L524 HydrophobicContact CG1-CB 4.39Å; V520-L524 HydrophobicContact CG1-CD2 3.92Å; V520-L524 HydrophobicContact CG2-CD2 3.99Å; Y521-L524 VanDerWaalsContact O-CB 3.28Å; Y521-L524 WeakPolarHBondContact O-CB 3.31Å; Y521-L524 PolarHBondContact O-N 2.75Å; T522-L524 VanDerWaalsContact C-N 3.32Å; L524-Y526 PolarHBondContact O-N 3.11Å; L524-Y527 HydrophobicContact CD1-CG 4.4Å; L524-Y527 WeakPolarHBondContact O-CB 3.5Å; L524-Y527 PolarHBondContact O-N 2.82Å; L524-Y527 VanDerWaalsContact O-N 3.12Å; L524-Y532 HydrophobicContact CB-CE1 4.49Å; L524-Y532 HydrophobicContact CB-CE2 3.79Å; L524-Y532 HydrophobicContact CD1-CD1 3.78Å; L524-Y532 HydrophobicContact CD1-CD2 3.57Å; L524-Y532 HydrophobicContact CD1-CE1 3.81Å; L524-Y532 HydrophobicContact CD1-CE2 3.59Å; L524-Y532 HydrophobicContact CD1-CG 3.65Å; L524-Y532 HydrophobicContact CG-CE2 4.29Å; L524-W565 HydrophobicContact CD2-CH2 3.93Å; L524-W565 HydrophobicContact CD2-CZ3 4.4Å; L524-W565 HydrophobicContact CG-CH2 4.36Å; L524-W565 HydrophobicContact CG-CZ3 4.42Å; L524-W569 HydrophobicContact CD1-CH2 4.12Å; L524-W569 HydrophobicContact CD1-CZ2 3.81Å; L524-W569 HydrophobicContact CG-CZ2 3.95Å |
| 525 | Y | 68.1 | Low | 73.8 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -64.9 | -23.1 | 174.9 | -52.9 | -31.5 | 0 | 0 | 0 | 113.3 | N309 F312 M320 V520 T522 D523 A540 | N309-Y525 WeakPolarHBondContact CB-O 3.07Å; N309-Y525 PolarHBondContact N-O 2.65Å; F312-Y525 AromaticContact CD1-CD1 3.88Å; F312-Y525 HydrophobicContact CD1-CD1 3.88Å; F312-Y525 HydrophobicContact CD1-CE1 4.12Å; F312-Y525 HydrophobicContact CD1-CG 4.3Å; F312-Y525 AromaticContact CD2-CD1 3.88Å; F312-Y525 HydrophobicContact CD2-CD1 3.88Å; F312-Y525 AromaticContact CD2-CG 3.96Å; F312-Y525 HydrophobicContact CD2-CG 3.96Å; F312-Y525 AromaticContact CE1-CD1 3.81Å; F312-Y525 HydrophobicContact CE1-CD1 3.81Å; F312-Y525 AromaticContact CE1-CE1 3.96Å; F312-Y525 HydrophobicContact CE1-CE1 3.96Å; F312-Y525 AromaticContact CE2-CD1 3.79Å; F312-Y525 HydrophobicContact CE2-CD1 3.79Å; F312-Y525 HydrophobicContact CE2-CG 4.3Å; F312-Y525 AromaticContact CG-CD1 3.96Å; F312-Y525 HydrophobicContact CG-CD1 3.96Å; F312-Y525 AromaticContact CG-CG 3.99Å; F312-Y525 HydrophobicContact CG-CG 3.99Å; F312-Y525 AromaticContact CZ-CD1 3.78Å; F312-Y525 HydrophobicContact CZ-CD1 3.78Å; F312-Y525 HydrophobicContact CZ-CE1 4.27Å; M320-Y525 HydrophobicContact CE-CE2 4.48Å; M320-Y525 HydrophobicContact SD-CD2 4.05Å; M320-Y525 HydrophobicContact SD-CE2 3.26Å; M320-Y525 WeakPolarHBondContact SD-CE2 3.16Å; V520-Y525 HydrophobicContact CG1-CE1 3.89Å; T522-Y525 HydrophobicContact CG2-CD2 4.18Å; T522-Y525 HydrophobicContact CG2-CE2 3.53Å; T522-Y525 WeakPolarHBondContact O-CB 3.2Å; T522-Y525 WeakPolarHBondContact O-CD2 3.23Å; T522-Y525 PolarHBondContact O-N 2.74Å; D523-Y525 PolarHBondContact O-N 2.81Å; D523-Y525 VanDerWaalsContact O-N 3.11Å; Y525-A540 HydrophobicContact CE2-CB 4.5Å; Y525-A540 WeakPolarHBondContact OH-CB 3.46Å |
| 526 | Y | 64.4 | Low | 72.6 | Confident | 57 Ų | 57 | 55.2 Ų | 55.2 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -95 | -5 | 179.1 | -55.2 | -98 | 0 | 0 | 0 | 111.9 | L306 G307 I308 T522 D523 L524 K528 | L306-Y526 HydrophobicContact CB-CD1 4.33Å; L306-Y526 HydrophobicContact CD2-CD1 4.11Å; L306-Y526 HydrophobicContact CD2-CD2 4.36Å; L306-Y526 HydrophobicContact CD2-CG 3.77Å; G307-Y526 WeakPolarHBondContact O-CA 3.18Å; G307-Y526 WeakPolarHBondContact O-CD1 3.46Å; I308-Y526 HydrophobicContact CB-CE1 4.29Å; I308-Y526 HydrophobicContact CG1-CD1 4.16Å; I308-Y526 HydrophobicContact CG1-CE1 3.44Å; I308-Y526 VanDerWaalsContact CG1-CE1 3.44Å; T522-Y526 WeakPolarHBondContact O-CD2 3.42Å; T522-Y526 WeakPolarHBondContact O-CE2 3.35Å; D523-Y526 WeakPolarHBondContact O-CB 3.37Å; D523-Y526 PolarHBondContact O-N 3.25Å; L524-Y526 PolarHBondContact O-N 3.11Å; Y526-K528 PolarHBondContact O-N 3.42Å |
| 527 | Y | 69.4 | Low | 71.5 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | trans | -60.9 | 130.4 | 176.7 | 176.9 | -103.7 | 0 | 0 | 0 | 110.8 | L524 S529 G530 Y532 W569 | L524-Y527 HydrophobicContact CD1-CG 4.4Å; L524-Y527 WeakPolarHBondContact O-CB 3.5Å; L524-Y527 PolarHBondContact O-N 2.82Å; L524-Y527 VanDerWaalsContact O-N 3.12Å; Y527-S529 WeakPolarHBondContact CE2-O 3.09Å; Y527-G530 WeakPolarHBondContact CE2-O 3.22Å; Y527-G530 VanDerWaalsContact CZ-O 3.27Å; Y527-G530 PolarHBondContact OH-O 3.36Å; Y527-Y532 HydrophobicContact CD2-CD2 4.06Å; Y527-Y532 HydrophobicContact CD2-CG 4.31Å; Y527-Y532 HydrophobicContact CG-CD2 4.34Å; Y527-W569 AromaticContact CD1-CH2 3.74Å; Y527-W569 HydrophobicContact CD1-CH2 3.74Å; Y527-W569 AromaticContact CD1-CZ2 3.63Å; Y527-W569 HydrophobicContact CD1-CZ2 3.63Å; Y527-W569 HydrophobicContact CD1-CZ3 4.41Å; Y527-W569 HydrophobicContact CE1-CH2 4.23Å; Y527-W569 HydrophobicContact CG-CZ2 4.35Å | ||
| 528 | K | 58.1 | Low | 70.8 | Confident | 110 Ų | 110 | 52.5 Ų | 52.5 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | trans | -120.8 | -45.6 | 177 | -75.8 | -168.3 | 173.2 | -168.4 | 0 | 112.6 | Y526 G570 E571 | Y526-K528 PolarHBondContact O-N 3.42Å; K528-G570 CarbonylContact O-C 3.33Å; K528-G570 WeakPolarHBondContact O-CA 3.46Å; K528-E571 PolarHBondContact O-N 3.16Å | ||
| 529 | S | 69.6 | Low | 70.6 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 59% | 0.587 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -165.2 | 166.8 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | Y527 | Y527-S529 WeakPolarHBondContact CE2-O 3.09Š|
| 530 | G | 75.5 | Confident | 70 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 88.2 | -171 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y527 Y532 E571 | Y527-G530 WeakPolarHBondContact CE2-O 3.22Å; Y527-G530 VanDerWaalsContact CZ-O 3.27Å; Y527-G530 PolarHBondContact OH-O 3.36Å; G530-Y532 PolarHBondContact O-N 3.33Å; G530-E571 PolarHBondContact N-OE1 3.07Å |
| 531 | I | 80.7 | Confident | 69.5 | Low | 71 Ų | 71 | 49.3 Ų | 49.3 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | trans | -74.7 | 117.2 | 175.5 | -59.8 | 172.5 | 0 | 0 | 0 | 108.9 | E533 E553 E556 Y558 | I531-E533 PolarHBondContact O-N 3.43Å; I531-E553 HydrophobicContact CD1-CB 3.87Å; I531-E556 HydrophobicContact CD1-CB 4.43Å; I531-Y558 HydrophobicContact CD1-CD1 3.5Å; I531-Y558 VanDerWaalsContact CD1-CD1 3.5Å; I531-Y558 HydrophobicContact CD1-CE1 4.24Å; I531-Y558 HydrophobicContact CD1-CG 4.08Å; I531-Y558 HydrophobicContact CG1-CD1 3.95Å; I531-Y558 HydrophobicContact CG1-CG 4.08Å | ||
| 532 | Y | 80.6 | Confident | 69.1 | Low | 65 Ų | 65 | 48.8 Ų | 48.8 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | trans | -77.1 | 122 | 171.8 | 171.7 | -99.2 | 0 | 0 | 0 | 109.9 | D523 L524 Y527 G530 H534 | D523-Y532 PolarHBondContact OD1-OH 3.05Å; L524-Y532 HydrophobicContact CB-CE1 4.49Å; L524-Y532 HydrophobicContact CB-CE2 3.79Å; L524-Y532 HydrophobicContact CD1-CD1 3.78Å; L524-Y532 HydrophobicContact CD1-CD2 3.57Å; L524-Y532 HydrophobicContact CD1-CE1 3.81Å; L524-Y532 HydrophobicContact CD1-CE2 3.59Å; L524-Y532 HydrophobicContact CD1-CG 3.65Å; L524-Y532 HydrophobicContact CG-CE2 4.29Å; Y527-Y532 HydrophobicContact CD2-CD2 4.06Å; Y527-Y532 HydrophobicContact CD2-CG 4.31Å; Y527-Y532 HydrophobicContact CG-CD2 4.34Å; G530-Y532 PolarHBondContact O-N 3.33Å; Y532-H534 HydrophobicContact CE1-CB 4.37Å | ||
| 533 | E | 80.2 | Confident | 69.4 | Low | 102 Ų | 102 | 47.7 Ų | 47.7 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | trans | -123.2 | 130.3 | 164.4 | -165.8 | -168.8 | 152.4 | 0 | 0 | 108 | I531 K535 | I531-E533 PolarHBondContact O-N 3.43Å; E533-K535 PolarHBondContact O-N 2.82Å; E533-K535 VanDerWaalsContact O-N 3.16Å; E533-K535 WeakPolarHBondContact OE1-CE 3.34Å; E533-K535 IonicContact OE1-NZ 2.98Å; E533-K535 PolarHBondContact OE1-NZ 3.18Å; E533-K535 WeakPolarHBondContact OE2-CE 3.33Å; E533-K535 IonicContact OE2-NZ 3.11Å; E533-K535 PolarHBondContact OE2-NZ 2.7Å | ||
| 534 | H | 74.9 | Confident | 69.3 | Low | 68 Ų | 68 | 47.4 Ų | 47.4 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | trans | -62.9 | 120.5 | 172 | 169.7 | 58 | 0 | 0 | 0 | 109.2 | Y521 D523 Y532 K536 | Y521-H534 VanDerWaalsContact CB-CE1 3.45Å; Y521-H534 WeakPolarHBondContact CB-CE1 3.02Å; Y521-H534 WeakPolarHBondContact CB-ND1 3.17Å; Y521-H534 AromaticContact CD1-CE1 3.33Å; Y521-H534 WeakPolarHBondContact CD1-CE1 3.29Å; Y521-H534 AromaticContact CD1-ND1 3.84Å; Y521-H534 AromaticContact CD1-NE2 3.52Å; Y521-H534 HydrophobicContact CD2-CB 3.91Å; Y521-H534 AromaticContact CD2-CD2 3.73Å; Y521-H534 AromaticContact CD2-CE1 3.89Å; Y521-H534 AromaticContact CD2-CG 3.43Å; Y521-H534 VanDerWaalsContact CD2-CG 3.43Å; Y521-H534 AromaticContact CD2-ND1 3.58Å; Y521-H534 AromaticContact CE1-CE1 3.98Å; Y521-H534 AromaticContact CE1-NE2 3.67Å; Y521-H534 HydrophobicContact CE2-CB 4.35Å; Y521-H534 AromaticContact CE2-CD2 3.74Å; Y521-H534 AromaticContact CE2-CG 3.88Å; Y521-H534 HydrophobicContact CG-CB 4.49Å; Y521-H534 AromaticContact CG-CD2 3.9Å; Y521-H534 AromaticContact CG-CE1 3.27Å; Y521-H534 AromaticContact CG-CG 3.63Å; Y521-H534 AromaticContact CG-ND1 3.26Å; Y521-H534 VanDerWaalsContact CG-ND1 3.26Å; Y521-H534 AromaticContact CG-NE2 3.7Å; Y521-H534 AromaticContact CZ-CD2 3.94Å; Y521-H534 AromaticContact CZ-NE2 3.96Å; D523-H534 IonicContact OD1-CE1 2.64Å; D523-H534 IonicContact OD1-ND1 3.88Å; D523-H534 PolarHBondContact OD1-ND1 3.21Å; D523-H534 VanDerWaalsContact OD1-ND1 3.1Å; D523-H534 WeakPolarHBondContact OD2-CA 3.37Å; D523-H534 IonicContact OD2-CE1 3.47Å; D523-H534 IonicContact OD2-CG 3.31Å; D523-H534 IonicContact OD2-ND1 2.73Å; D523-H534 PolarHBondContact OD2-ND1 2.79Å; Y532-H534 HydrophobicContact CE1-CB 4.37Å; H534-K536 VanDerWaalsContact CE1-C 3.44Å; H534-K536 PolarHBondContact CE1-O 2.92Å; H534-K536 PolarHBondContact ND1-O 3.02Å | ||
| 535 | K | 69.4 | Low | 69.3 | Low | 119 Ų | 119 | 47.6 Ų | 47.6 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | trans | -119.9 | -28 | 174.5 | -62.6 | -65 | -168.5 | -172.9 | 0 | 111.9 | D523 E533 | D523-K535 PolarHBondContact OD2-N 3.07Å; E533-K535 PolarHBondContact O-N 2.82Å; E533-K535 VanDerWaalsContact O-N 3.16Å; E533-K535 WeakPolarHBondContact OE1-CE 3.34Å; E533-K535 IonicContact OE1-NZ 2.98Å; E533-K535 PolarHBondContact OE1-NZ 3.18Å; E533-K535 WeakPolarHBondContact OE2-CE 3.33Å; E533-K535 IonicContact OE2-NZ 3.11Å; E533-K535 PolarHBondContact OE2-NZ 2.7Å | ||
| 536 | K | 52.8 | Low | 69.9 | Low | 86 Ų | 86 | 48.6 Ų | 48.6 | 37% | 0.374 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -149.5 | 162.4 | -168.9 | -72.9 | 178.9 | 174.6 | 155.2 | 0 | 112.9 | D523 H534 | D523-K536 WeakPolarHBondContact CB-O 3.36Å; D523-K536 PolarHBondContact OD2-N 3.26Å; H534-K536 VanDerWaalsContact CE1-C 3.44Å; H534-K536 PolarHBondContact CE1-O 2.92Å; H534-K536 PolarHBondContact ND1-O 3.02Å |
| 537 | G | 55.4 | Low | 71 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 24% | 0.237 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 93.2 | 167.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T522 | T522-G537 WeakPolarHBondContact OG1-CA 3.23Š|
| 538 | I | 58.7 | Low | 71.8 | Confident | 20 Ų | 20 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | trans | -91.2 | 153.5 | -172.4 | 54.7 | -169.7 | 0 | 0 | 0 | 110.7 | Y87 T236 L317 Y521 T522 A540 | Y87-I538 HydrophobicContact CD1-CB 3.58Å; Y87-I538 HydrophobicContact CD1-CD1 3.17Å; Y87-I538 HydrophobicContact CD1-CG1 3.72Å; Y87-I538 HydrophobicContact CD1-CG2 3.68Å; Y87-I538 HydrophobicContact CE1-CB 4.35Å; Y87-I538 HydrophobicContact CE1-CD1 3.08Å; Y87-I538 HydrophobicContact CE1-CG1 4.13Å; Y87-I538 HydrophobicContact CE1-CG2 4.24Å; Y87-I538 HydrophobicContact CG-CB 4.29Å; Y87-I538 HydrophobicContact CG-CD1 4.48Å; Y87-I538 HydrophobicContact CG-CG2 4.2Å; T236-I538 VanDerWaalsContact CB-CG2 3.48Å; T236-I538 HydrophobicContact CG2-CG2 3.79Å; L317-I538 HydrophobicContact CD1-CD1 3.88Å; L317-I538 HydrophobicContact CD2-CD1 4.24Å; Y521-I538 CarbonylContact C-O 3.56Å; Y521-I538 VanDerWaalsContact CA-O 3.22Å; Y521-I538 WeakPolarHBondContact CA-O 3.16Å; T522-I538 HydrophobicContact CG2-CD1 3.72Å; T522-I538 HydrophobicContact CG2-CG1 3.22Å; T522-I538 PolarHBondContact N-O 3.39Å; T522-I538 PolarHBondContact OG1-N 3.34Å; T522-I538 VanDerWaalsContact OG1-N 3.15Å; I538-A540 PolarHBondContact O-N 3.27Å; I538-A540 VanDerWaalsContact O-N 3.16Å | ||
| 539 | N | 71.2 | Confident | 73.4 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 115.8 | 169.1 | 174.7 | -9 | 0 | 0 | 0 | 108.2 | Y87 T519 Y521 G541 | Y87-N539 CarbonylContact C-O 3.46Å; Y87-N539 WeakPolarHBondContact O-CB 3.48Å; T519-N539 HydrophobicContact CG2-CB 4.08Å; T519-N539 VanDerWaalsContact CG2-ND2 3.34Å; T519-N539 WeakPolarHBondContact CG2-ND2 3.24Å; Y521-N539 HydrophobicContact CD1-CB 4.23Å; Y521-N539 HydrophobicContact CE1-CB 4.02Å; N539-G541 WeakPolarHBondContact OD1-CA 3.41Å; N539-G541 PolarHBondContact OD1-N 3.02Å; N539-G541 PolarHBondContact OD1-O 3.33Å |
| 540 | A | 64.4 | Low | 74.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -8.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L317 K321 L324 V520 T522 Y525 I538 | L317-A540 HydrophobicContact CD1-CB 4.39Å; K321-A540 WeakPolarHBondContact CG-O 3.45Å; L324-A540 HydrophobicContact CD1-CB 3.83Å; L324-A540 WeakPolarHBondContact CD1-O 3.36Å; V520-A540 PolarHBondContact O-N 3.05Å; T522-A540 HydrophobicContact CG2-CB 4.1Å; Y525-A540 HydrophobicContact CE2-CB 4.5Å; Y525-A540 WeakPolarHBondContact OH-CB 3.46Å; I538-A540 PolarHBondContact O-N 3.27Å; I538-A540 VanDerWaalsContact O-N 3.16Å |
| 541 | G | 66.4 | Low | 75.3 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -169 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V520 N539 | V520-G541 PolarHBondContact N-O 3.29Å; N539-G541 WeakPolarHBondContact OD1-CA 3.41Å; N539-G541 PolarHBondContact OD1-N 3.02Å; N539-G541 PolarHBondContact OD1-O 3.33Å |
| 542 | Y | 69.5 | Low | 75.4 | Confident | 60 Ų | 60 | 35 Ų | 35 | 24% | 0.235 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.4 | 175.1 | -60.4 | -88.5 | 0 | 0 | 0 | 109 | L324 V326 K328 F518 T519 | L324-Y542 VanDerWaalsContact O-O 3.12Å; V326-Y542 WeakPolarHBondContact CB-O 3.01Å; K328-Y542 HydrophobicContact CB-CD2 4.41Å; K328-Y542 HydrophobicContact CB-CE2 3.8Å; K328-Y542 HydrophobicContact CD-CE2 4.38Å; K328-Y542 HydrophobicContact CG-CE2 4.25Å; F518-Y542 WeakPolarHBondContact O-CA 3.3Å; T519-Y542 WeakPolarHBondContact OG1-CE1 3.44Å |
| 543 | H | 76.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.4 | 174.6 | -166 | 55.4 | 0 | 0 | 0 | 111.2 | L324 Q372 T517 F518 V520 N563 W565 | L324-H543 HydrophobicContact CD2-CB 4.16Å; L324-H543 PolarHBondContact O-ND1 3.23Å; Q372-H543 PolarHBondContact OE1-CE1 3.44Å; T517-H543 VanDerWaalsContact CA-O 3.29Å; T517-H543 WeakPolarHBondContact CA-O 3.4Å; F518-H543 VanDerWaalsContact CD1-O 3.28Å; F518-H543 WeakPolarHBondContact CD1-O 3.3Å; F518-H543 HydrophobicContact CE1-CB 4.04Å; F518-H543 HydrophobicContact CZ-CB 4.47Å; F518-H543 PolarHBondContact N-O 2.72Å; F518-H543 PolarHBondContact O-N 3.01Å; V520-H543 HydrophobicContact CG2-CB 3.32Å; H543-N563 PolarHBondContact CD2-OD1 2.97Å; H543-N563 PolarHBondContact NE2-OD1 3.05Å; H543-W565 AromaticContact CD2-CZ2 3.83Å; H543-W565 AromaticContact CD2-NE1 3.89Å; H543-W565 AromaticContact CE1-NE1 3.45Å; H543-W565 PolarHBondContact CE1-NE1 3.14Å; H543-W565 AromaticContact NE2-CE2 3.75Å; H543-W565 AromaticContact NE2-NE1 3.15Å; H543-W565 PolarHBondContact NE2-NE1 3.46Å; H543-W565 VanDerWaalsContact NE2-NE1 3.15Å |
| 544 | A | 70.4 | Confident | 75.1 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V515 A516 T517 | V515-A544 HydrophobicContact CG1-CB 4.13Å; A516-A544 CarbonylContact O-C 3.42Å; A516-A544 VanDerWaalsContact O-CA 3.3Å; A516-A544 WeakPolarHBondContact O-CA 3.35Å; T517-A544 HydrophobicContact CG2-CB 4.03Å |
| 545 | V | 80.2 | Confident | 75.3 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.8 | 174.4 | -74.9 | 0 | 0 | 0 | 0 | 110.3 | V515 A516 F518 I547 A561 N563 | V515-V545 WeakPolarHBondContact CA-O 3Å; A516-V545 HydrophobicContact CB-CG2 4.47Å; A516-V545 PolarHBondContact N-O 3.08Å; A516-V545 PolarHBondContact O-N 2.68Å; F518-V545 HydrophobicContact CD1-CG1 4.37Å; F518-V545 HydrophobicContact CD1-CG2 3.82Å; F518-V545 HydrophobicContact CE1-CB 4.25Å; F518-V545 HydrophobicContact CE1-CG1 3.51Å; F518-V545 HydrophobicContact CE1-CG2 3.8Å; F518-V545 HydrophobicContact CZ-CG1 4.22Å; V545-I547 HydrophobicContact CG2-CD1 3.77Å; V545-A561 HydrophobicContact CB-CB 4.33Å; V545-A561 HydrophobicContact CG2-CB 4.3Å; V545-N563 HydrophobicContact CG1-CB 4.35Å |
| 546 | R | 80.4 | Confident | 75.8 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 12% | 0.121 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.7 | 171.3 | -177 | 177.6 | 71.8 | -144.7 | 0.1 | 108.8 | I366 I368 P513 I514 I548 A561 A562 | I366-R546 PolarHBondContact O-NH2 3.38Å; I368-R546 PolarHBondContact O-NH2 2.81Å; P513-R546 HydrophobicContact CB-CG 3.79Å; I514-R546 CarbonylContact O-C 3.44Å; I514-R546 WeakPolarHBondContact O-CA 3.43Å; R546-I548 HydrophobicContact CG-CG2 4.13Å; R546-A561 CarbonylContact O-C 3.59Å; R546-A561 WeakPolarHBondContact O-CA 3.5Å; R546-A562 HydrophobicContact CB-CB 4.38Å; R546-A562 PolarHBondContact N-O 3.22Å; R546-A562 VanDerWaalsContact N-O 3.11Å; R546-A562 PolarHBondContact O-N 3.41Å |
| 547 | I | 86.9 | Confident | 77.4 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.4 | 174.3 | -49.5 | -58.6 | 0 | 0 | 0 | 108.3 | L508 P513 I514 A516 V545 W559 A561 | L508-I547 HydrophobicContact CD2-CG2 3.92Å; P513-I547 VanDerWaalsContact CA-O 3.27Å; P513-I547 WeakPolarHBondContact CA-O 3.06Å; I514-I547 HydrophobicContact CG1-CB 3.85Å; I514-I547 HydrophobicContact CG1-CG1 4.3Å; I514-I547 PolarHBondContact N-O 2.89Å; I514-I547 VanDerWaalsContact N-O 3.12Å; I514-I547 PolarHBondContact O-N 3.44Å; A516-I547 HydrophobicContact CB-CD1 3.98Å; A516-I547 HydrophobicContact CB-CG1 3.56Å; V545-I547 HydrophobicContact CG2-CD1 3.77Å; I547-W559 HydrophobicContact CD1-CB 4.38Å; I547-W559 HydrophobicContact CG2-CB 4.28Å; I547-W559 HydrophobicContact CG2-CD2 4.14Å; I547-W559 HydrophobicContact CG2-CE3 3.46Å; I547-W559 VanDerWaalsContact CG2-CE3 3.46Å; I547-W559 HydrophobicContact CG2-CZ3 4.1Å; I547-A561 HydrophobicContact CD1-CB 3.82Å |
| 548 | I | 87.1 | Confident | 79 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | -7.3 | -176 | 62.6 | 168.5 | 0 | 0 | 0 | 113 | A355 I366 P513 R546 L560 A562 | A355-I548 HydrophobicContact CB-CB 4.43Å; A355-I548 WeakPolarHBondContact CB-O 3.07Å; A355-I548 PolarHBondContact N-O 3.07Å; I366-I548 HydrophobicContact CG2-CB 4.16Å; I366-I548 HydrophobicContact CG2-CG2 3.87Å; P513-I548 HydrophobicContact CB-CG2 4.13Å; P513-I548 HydrophobicContact CG-CG2 4.13Å; R546-I548 HydrophobicContact CG-CG2 4.13Å; I548-L560 HydrophobicContact CG1-CB 3.89Å; I548-L560 WeakPolarHBondContact CG1-O 3.32Å; I548-L560 PolarHBondContact N-O 3.47Å; I548-A562 HydrophobicContact CG2-CB 4.43Å |
| 549 | G | 90.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 179 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F353 L560 | F353-G549 CarbonylContact O-C 3.53Å; F353-G549 WeakPolarHBondContact O-CA 3.06Å; G549-L560 PolarHBondContact N-O 3.45Å; G549-L560 PolarHBondContact O-N 2.77Å |
| 550 | W | 94 | Very high | 81.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 163.9 | 171.5 | 64.8 | 83.9 | 0 | 0 | 0 | 110.2 | L349 P350 E351 E352 F353 M505 L508 Y509 Y558 W559 | L349-W550 HydrophobicContact CB-CZ2 4.47Å; L349-W550 HydrophobicContact CD2-CH2 4.42Å; P350-W550 HydrophobicContact CG-CZ2 4.03Å; P350-W550 PolarHBondContact O-NE1 2.71Å; E351-W550 VanDerWaalsContact O-CD1 3.25Å; E351-W550 PolarHBondContact O-NE1 2.9Å; E352-W550 WeakPolarHBondContact CA-O 3.26Å; F353-W550 HydrophobicContact CB-CD2 3.65Å; F353-W550 HydrophobicContact CB-CE3 3.81Å; F353-W550 HydrophobicContact CB-CG 4.4Å; F353-W550 HydrophobicContact CB-CH2 3.43Å; F353-W550 VanDerWaalsContact CB-CH2 3.43Å; F353-W550 HydrophobicContact CB-CZ2 3.29Å; F353-W550 HydrophobicContact CB-CZ3 3.71Å; F353-W550 AromaticContact CD1-CE3 3.83Å; F353-W550 HydrophobicContact CD1-CE3 3.83Å; F353-W550 AromaticContact CD1-CH2 3.59Å; F353-W550 HydrophobicContact CD1-CH2 3.59Å; F353-W550 HydrophobicContact CD1-CZ2 4.36Å; F353-W550 AromaticContact CD1-CZ3 3.29Å; F353-W550 HydrophobicContact CD1-CZ3 3.29Å; F353-W550 HydrophobicContact CD2-CH2 4.2Å; F353-W550 HydrophobicContact CE1-CH2 4.41Å; F353-W550 HydrophobicContact CE1-CZ3 4.11Å; F353-W550 HydrophobicContact CG-CD2 4.49Å; F353-W550 HydrophobicContact CG-CE3 4.18Å; F353-W550 AromaticContact CG-CH2 3.47Å; F353-W550 HydrophobicContact CG-CH2 3.47Å; F353-W550 VanDerWaalsContact CG-CH2 3.47Å; F353-W550 AromaticContact CG-CZ2 3.86Å; F353-W550 HydrophobicContact CG-CZ2 3.86Å; F353-W550 AromaticContact CG-CZ3 3.67Å; F353-W550 HydrophobicContact CG-CZ3 3.67Å; F353-W550 PolarHBondContact N-O 2.88Å; F353-W550 PolarHBondContact O-N 2.69Å; M505-W550 HydrophobicContact CB-CE3 4.32Å; M505-W550 HydrophobicContact CB-CH2 4.19Å; M505-W550 HydrophobicContact CB-CZ2 4.42Å; M505-W550 HydrophobicContact CB-CZ3 4.13Å; M505-W550 HydrophobicContact CE-CD2 3.85Å; M505-W550 HydrophobicContact CE-CG 4.02Å; M505-W550 HydrophobicContact CE-CZ2 3.85Å; M505-W550 HydrophobicContact CG-CD2 4.13Å; M505-W550 HydrophobicContact CG-CE3 4.16Å; M505-W550 HydrophobicContact CG-CZ3 4.46Å; L508-W550 HydrophobicContact CB-CZ3 4.02Å; L508-W550 HydrophobicContact CD2-CE3 3.52Å; L508-W550 HydrophobicContact CD2-CZ3 3.58Å; L508-W550 HydrophobicContact CG-CE3 4.25Å; L508-W550 HydrophobicContact CG-CZ3 3.78Å; Y509-W550 HydrophobicContact CD2-CH2 4.16Å; Y509-W550 HydrophobicContact CG-CH2 4.45Å; W550-Y558 CarbonylContact C-O 3.57Å; W550-Y558 WeakPolarHBondContact CA-O 3.48Å; W550-Y558 WeakPolarHBondContact CB-O 3.44Å; W550-W559 HydrophobicContact CB-CE3 3.92Å; W550-W559 HydrophobicContact CB-CZ3 4.18Å; W550-W559 HydrophobicContact CE3-CZ3 4.13Å |
| 551 | G | 89.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | -173.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | K557 Y558 | G551-K557 WeakPolarHBondContact O-CA 3.3Å; G551-Y558 PolarHBondContact N-O 3.13Å; G551-Y558 WeakPolarHBondContact O-CD1 3.47Å; G551-Y558 PolarHBondContact O-N 2.8Å |
| 552 | K | 84.3 | Confident | 83.1 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 34% | 0.339 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 125.7 | -178.8 | -173.2 | -177.3 | 173.2 | -168.9 | 0 | 110.2 | D555 E556 | K552-D555 VanDerWaalsContact CE-CA 3.41Å; K552-D555 WeakPolarHBondContact CE-OD1 3.37Å; K552-D555 IonicContact NZ-OD1 2.89Å; K552-D555 PolarHBondContact NZ-OD1 3.29Å; K552-E556 CarbonylContact C-O 3.51Å; K552-E556 VanDerWaalsContact CA-O 3.31Å; K552-E556 WeakPolarHBondContact CA-O 3.49Å |
| 553 | E | 79.1 | Confident | 83.7 | Confident | 116 Ų | 116 | 53 Ų | 53 | 54% | 0.542 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.9 | 176.9 | -170.3 | 176.1 | -171.7 | 0 | 0 | 109 | I531 D555 E556 Y558 | I531-E553 HydrophobicContact CD1-CB 3.87Å; E553-D555 VanDerWaalsContact C-N 3.26Å; E553-D555 PolarHBondContact O-N 2.93Å; E553-D555 VanDerWaalsContact O-N 3.09Å; E553-E556 PolarHBondContact N-O 3.05Å; E553-E556 PolarHBondContact O-N 3.31Å; E553-Y558 HydrophobicContact CB-CE1 4.25Å |
| 554 | E | 74.3 | Confident | 83.3 | Confident | 189 Ų | 189 | 53.4 Ų | 53.4 | 88% | 0.883 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 43.4 | 178.4 | -61 | -171.1 | 167.8 | 0 | 0 | 115.1 | E556 | E554-E556 PolarHBondContact O-N 3.04Š|
| 555 | D | 78.6 | Confident | 83.1 | Confident | 126 Ų | 126 | 53.3 Ų | 53.3 | 67% | 0.674 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -9.3 | -174.8 | -69.6 | -43.6 | 0 | 0 | 0 | 118.2 | K552 E553 | K552-D555 VanDerWaalsContact CE-CA 3.41Å; K552-D555 WeakPolarHBondContact CE-OD1 3.37Å; K552-D555 IonicContact NZ-OD1 2.89Å; K552-D555 PolarHBondContact NZ-OD1 3.29Å; E553-D555 VanDerWaalsContact C-N 3.26Å; E553-D555 PolarHBondContact O-N 2.93Å; E553-D555 VanDerWaalsContact O-N 3.09Å |
| 556 | E | 80.1 | Confident | 82.3 | Confident | 120 Ų | 120 | 53.3 Ų | 53.3 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.7 | 176.6 | -66.1 | -61.8 | 157.9 | 0 | 0 | 112 | I531 K552 E553 E554 | I531-E556 HydrophobicContact CD1-CB 4.43Å; K552-E556 CarbonylContact C-O 3.51Å; K552-E556 VanDerWaalsContact CA-O 3.31Å; K552-E556 WeakPolarHBondContact CA-O 3.49Å; E553-E556 PolarHBondContact N-O 3.05Å; E553-E556 PolarHBondContact O-N 3.31Å; E554-E556 PolarHBondContact O-N 3.04Å |
| 557 | K | 87.6 | Confident | 81.4 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.2 | 174.4 | -65.8 | -178.9 | 176.8 | -175.4 | 0 | 110.7 | E501 G551 | E501-K557 WeakPolarHBondContact OE1-CD 3.46Å; E501-K557 IonicContact OE1-NZ 3.04Å; E501-K557 PolarHBondContact OE1-NZ 2.73Å; E501-K557 IonicContact OE2-NZ 3.04Å; E501-K557 PolarHBondContact OE2-NZ 3.28Å; G551-K557 WeakPolarHBondContact O-CA 3.3Å |
| 558 | Y | 88.5 | Confident | 80.1 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 157.3 | 177.9 | 64.9 | -94.1 | 0 | 0 | 0 | 113 | I531 W550 G551 E553 L560 | I531-Y558 HydrophobicContact CD1-CD1 3.5Å; I531-Y558 VanDerWaalsContact CD1-CD1 3.5Å; I531-Y558 HydrophobicContact CD1-CE1 4.24Å; I531-Y558 HydrophobicContact CD1-CG 4.08Å; I531-Y558 HydrophobicContact CG1-CD1 3.95Å; I531-Y558 HydrophobicContact CG1-CG 4.08Å; W550-Y558 CarbonylContact C-O 3.57Å; W550-Y558 WeakPolarHBondContact CA-O 3.48Å; W550-Y558 WeakPolarHBondContact CB-O 3.44Å; G551-Y558 PolarHBondContact N-O 3.13Å; G551-Y558 WeakPolarHBondContact O-CD1 3.47Å; G551-Y558 PolarHBondContact O-N 2.8Å; E553-Y558 HydrophobicContact CB-CE1 4.25Å; Y558-L560 HydrophobicContact CD2-CD2 4.21Å; Y558-L560 HydrophobicContact CD2-CG 4.38Å; Y558-L560 HydrophobicContact CE2-CD2 3.69Å; Y558-L560 HydrophobicContact CE2-CG 3.91Å |
| 559 | W | 92.3 | Very high | 79.2 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 37% | 0.367 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.6 | 169 | -65.5 | 102.6 | 0 | 0 | 0 | 110.2 | E501 M504 M505 L508 I547 W550 A561 | E501-W559 HydrophobicContact CG-CZ2 4.18Å; M504-W559 HydrophobicContact CB-CH2 3.68Å; M504-W559 HydrophobicContact CB-CZ2 4.19Å; M504-W559 HydrophobicContact CB-CZ3 4.5Å; M504-W559 HydrophobicContact CE-CH2 4.32Å; M504-W559 HydrophobicContact CE-CZ2 4.1Å; M504-W559 HydrophobicContact SD-CZ2 4.44Å; M505-W559 HydrophobicContact CG-CH2 3.58Å; M505-W559 HydrophobicContact CG-CZ3 4.02Å; L508-W559 HydrophobicContact CD2-CZ3 4.38Å; I547-W559 HydrophobicContact CD1-CB 4.38Å; I547-W559 HydrophobicContact CG2-CB 4.28Å; I547-W559 HydrophobicContact CG2-CD2 4.14Å; I547-W559 HydrophobicContact CG2-CE3 3.46Å; I547-W559 VanDerWaalsContact CG2-CE3 3.46Å; I547-W559 HydrophobicContact CG2-CZ3 4.1Å; W550-W559 HydrophobicContact CB-CE3 3.92Å; W550-W559 HydrophobicContact CB-CZ3 4.18Å; W550-W559 HydrophobicContact CE3-CZ3 4.13Å; W559-A561 PolarHBondContact O-N 3.3Å |
| 560 | L | 89.1 | Confident | 78.2 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 112.1 | 165.9 | -66.5 | 174.4 | 0 | 0 | 0 | 108.6 | D354 I548 G549 Y558 | D354-L560 HydrophobicContact CB-CD1 4.28Å; I548-L560 HydrophobicContact CG1-CB 3.89Å; I548-L560 WeakPolarHBondContact CG1-O 3.32Å; I548-L560 PolarHBondContact N-O 3.47Å; G549-L560 PolarHBondContact N-O 3.45Å; G549-L560 PolarHBondContact O-N 2.77Å; Y558-L560 HydrophobicContact CD2-CD2 4.21Å; Y558-L560 HydrophobicContact CD2-CG 4.38Å; Y558-L560 HydrophobicContact CE2-CD2 3.69Å; Y558-L560 HydrophobicContact CE2-CG 3.91Å |
| 561 | A | 87.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V545 R546 I547 W559 | V545-A561 HydrophobicContact CB-CB 4.33Å; V545-A561 HydrophobicContact CG2-CB 4.3Å; R546-A561 CarbonylContact O-C 3.59Å; R546-A561 WeakPolarHBondContact O-CA 3.5Å; I547-A561 HydrophobicContact CD1-CB 3.82Å; W559-A561 PolarHBondContact O-N 3.3Å |
| 562 | A | 78.7 | Confident | 75.2 | Confident | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | I369 R546 I548 | I369-A562 HydrophobicContact CD1-CB 3.74Å; R546-A562 HydrophobicContact CB-CB 4.38Å; R546-A562 PolarHBondContact N-O 3.22Å; R546-A562 VanDerWaalsContact N-O 3.11Å; R546-A562 PolarHBondContact O-N 3.41Å; I548-A562 HydrophobicContact CG2-CB 4.43Å |
| 563 | N | 82 | Confident | 73.6 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | trans | -82.5 | 169.7 | 175.6 | -156.6 | -5.6 | 0 | 0 | 0 | 111.7 | I369 H543 V545 W565 W569 | I369-N563 WeakPolarHBondContact CG2-O 3.23Å; H543-N563 PolarHBondContact CD2-OD1 2.97Å; H543-N563 PolarHBondContact NE2-OD1 3.05Å; V545-N563 HydrophobicContact CG1-CB 4.35Å; N563-W565 VanDerWaalsContact ND2-CE2 3.32Å; N563-W565 WeakPolarHBondContact ND2-CZ3 3.17Å; N563-W569 HydrophobicContact CB-CE3 3.99Å; N563-W569 HydrophobicContact CB-CH2 4.41Å; N563-W569 HydrophobicContact CB-CZ3 3.55Å; N563-W569 WeakPolarHBondContact ND2-CH2 3.46Å; N563-W569 VanDerWaalsContact ND2-CZ3 3.25Å; N563-W569 WeakPolarHBondContact ND2-CZ3 3.49Å | ||
| 564 | S | 68.5 | Low | 71.8 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -108 | 29.3 | -179.8 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | K370 D371 Q372 | K370-S564 CarbonylContact O-C 3.58Å; K370-S564 WeakPolarHBondContact O-CA 3.12Å; D371-S564 CarbonylContact C-O 3.58Å; D371-S564 WeakPolarHBondContact CA-O 3.5Å; Q372-S564 WeakPolarHBondContact CG-O 3.04Å; Q372-S564 PolarHBondContact N-O 3.16Å; Q372-S564 PolarHBondContact OE1-OG 3.45Å |
| 565 | W | 66.3 | Low | 70.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -108.1 | 22.7 | -176.2 | -57.5 | -11.7 | 0 | 0 | 0 | 114 | R311 F312 F323 L324 K370 L524 H543 N563 W569 | R311-W565 VanDerWaalsContact NH1-CA 3.32Å; R311-W565 PolarHBondContact NH1-O 2.79Å; F312-W565 HydrophobicContact CE1-CZ3 4.46Å; F312-W565 AromaticContact CE2-CE3 3.97Å; F312-W565 HydrophobicContact CE2-CE3 3.97Å; F312-W565 AromaticContact CE2-CZ3 3.87Å; F312-W565 HydrophobicContact CE2-CZ3 3.87Å; F312-W565 AromaticContact CZ-CD2 3.93Å; F312-W565 HydrophobicContact CZ-CD2 3.93Å; F312-W565 AromaticContact CZ-CE3 3.44Å; F312-W565 HydrophobicContact CZ-CE3 3.44Å; F312-W565 VanDerWaalsContact CZ-CE3 3.44Å; F312-W565 AromaticContact CZ-CH2 3.83Å; F312-W565 HydrophobicContact CZ-CH2 3.83Å; F312-W565 HydrophobicContact CZ-CZ2 4.29Å; F312-W565 AromaticContact CZ-CZ3 3.39Å; F312-W565 HydrophobicContact CZ-CZ3 3.39Å; F323-W565 AromaticContact CE1-CD1 3.72Å; F323-W565 HydrophobicContact CE1-CD2 4.38Å; F323-W565 AromaticContact CE1-CE2 3.85Å; F323-W565 HydrophobicContact CE1-CG 4.33Å; F323-W565 HydrophobicContact CE1-CZ2 4.43Å; F323-W565 AromaticContact CE1-NE1 3.42Å; F323-W565 AromaticContact CZ-CD1 3.68Å; F323-W565 HydrophobicContact CZ-CG 4.27Å; F323-W565 AromaticContact CZ-NE1 3.89Å; L324-W565 HydrophobicContact CD2-CH2 4.41Å; L324-W565 HydrophobicContact CD2-CZ2 3.7Å; K370-W565 PolarHBondContact O-N 3.44Å; L524-W565 HydrophobicContact CD2-CH2 3.93Å; L524-W565 HydrophobicContact CD2-CZ3 4.4Å; L524-W565 HydrophobicContact CG-CH2 4.36Å; L524-W565 HydrophobicContact CG-CZ3 4.42Å; H543-W565 AromaticContact CD2-CZ2 3.83Å; H543-W565 AromaticContact CD2-NE1 3.89Å; H543-W565 AromaticContact CE1-NE1 3.45Å; H543-W565 PolarHBondContact CE1-NE1 3.14Å; H543-W565 AromaticContact NE2-CE2 3.75Å; H543-W565 AromaticContact NE2-NE1 3.15Å; H543-W565 PolarHBondContact NE2-NE1 3.46Å; H543-W565 VanDerWaalsContact NE2-NE1 3.15Å; N563-W565 VanDerWaalsContact ND2-CE2 3.32Å; N563-W565 WeakPolarHBondContact ND2-CZ3 3.17Å; W565-W569 HydrophobicContact CB-CB 4.22Å; W565-W569 HydrophobicContact CB-CG 4.42Å; W565-W569 HydrophobicContact CD2-CD2 4.48Å; W565-W569 AromaticContact CE3-CD1 3.68Å; W565-W569 AromaticContact CE3-CD2 3.44Å; W565-W569 HydrophobicContact CE3-CD2 3.44Å; W565-W569 VanDerWaalsContact CE3-CD2 3.44Å; W565-W569 AromaticContact CE3-CE2 3.34Å; W565-W569 AromaticContact CE3-CE3 3.98Å; W565-W569 HydrophobicContact CE3-CE3 3.98Å; W565-W569 AromaticContact CE3-CG 3.73Å; W565-W569 HydrophobicContact CE3-CG 3.73Å; W565-W569 HydrophobicContact CE3-CH2 4.29Å; W565-W569 AromaticContact CE3-CZ2 3.8Å; W565-W569 HydrophobicContact CE3-CZ2 3.8Å; W565-W569 HydrophobicContact CE3-CZ3 4.37Å; W565-W569 AromaticContact CE3-NE1 3.53Å; W565-W569 HydrophobicContact CH2-CZ2 4.47Å; W565-W569 AromaticContact CZ3-CD2 3.98Å; W565-W569 HydrophobicContact CZ3-CD2 3.98Å; W565-W569 AromaticContact CZ3-CE2 3.35Å; W565-W569 HydrophobicContact CZ3-CG 4.47Å; W565-W569 HydrophobicContact CZ3-CH2 4.12Å; W565-W569 AromaticContact CZ3-CZ2 3.44Å; W565-W569 HydrophobicContact CZ3-CZ2 3.44Å; W565-W569 VanDerWaalsContact CZ3-CZ2 3.44Å; W565-W569 AromaticContact CZ3-NE1 3.5Å |
| 566 | G | 61.8 | Low | 69.1 | Low | 9 Ų | 9 | 56.4 Ų | 56.4 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | trans | 71.9 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I369 K370 G568 | I369-G566 WeakPolarHBondContact CG2-O 3.2Å; K370-G566 PolarHBondContact O-N 2.67Å; G566-G568 VanDerWaalsContact C-N 3.27Å; G566-G568 PolarHBondContact O-N 3.05Å | ||
| 567 | T | 62.8 | Low | 68.7 | Low | 45 Ų | 45 | 52 Ų | 52 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -10.5 | -175.3 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | I369 W569 N572 A573 | I369-T567 HydrophobicContact CB-CG2 4.46Å; T567-W569 VanDerWaalsContact C-N 3.3Å; T567-W569 PolarHBondContact O-N 3Å; T567-N572 CarbonylContact O-C 3.53Å; T567-A573 WeakPolarHBondContact O-CA 3.34Å; T567-A573 PolarHBondContact O-N 3.39Å |
| 568 | G | 59.5 | Low | 68.5 | Low | 32 Ų | 32 | 45.8 Ų | 45.8 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G566 | G566-G568 VanDerWaalsContact C-N 3.27Å; G566-G568 PolarHBondContact O-N 3.05Å |
| 569 | W | 67.3 | Low | 68.3 | Low | 28 Ų | 28 | 45.3 Ų | 45.3 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -120.8 | 144 | -179.8 | -179.4 | 97.2 | 0 | 0 | 0 | 111.4 | F312 L524 Y527 N563 W565 T567 | F312-W569 AromaticContact CE2-CD1 3.79Å; F312-W569 AromaticContact CE2-NE1 3.89Å; L524-W569 HydrophobicContact CD1-CH2 4.12Å; L524-W569 HydrophobicContact CD1-CZ2 3.81Å; L524-W569 HydrophobicContact CG-CZ2 3.95Å; Y527-W569 AromaticContact CD1-CH2 3.74Å; Y527-W569 HydrophobicContact CD1-CH2 3.74Å; Y527-W569 AromaticContact CD1-CZ2 3.63Å; Y527-W569 HydrophobicContact CD1-CZ2 3.63Å; Y527-W569 HydrophobicContact CD1-CZ3 4.41Å; Y527-W569 HydrophobicContact CE1-CH2 4.23Å; Y527-W569 HydrophobicContact CG-CZ2 4.35Å; N563-W569 HydrophobicContact CB-CE3 3.99Å; N563-W569 HydrophobicContact CB-CH2 4.41Å; N563-W569 HydrophobicContact CB-CZ3 3.55Å; N563-W569 WeakPolarHBondContact ND2-CH2 3.46Å; N563-W569 VanDerWaalsContact ND2-CZ3 3.25Å; N563-W569 WeakPolarHBondContact ND2-CZ3 3.49Å; W565-W569 HydrophobicContact CB-CB 4.22Å; W565-W569 HydrophobicContact CB-CG 4.42Å; W565-W569 HydrophobicContact CD2-CD2 4.48Å; W565-W569 AromaticContact CE3-CD1 3.68Å; W565-W569 AromaticContact CE3-CD2 3.44Å; W565-W569 HydrophobicContact CE3-CD2 3.44Å; W565-W569 VanDerWaalsContact CE3-CD2 3.44Å; W565-W569 AromaticContact CE3-CE2 3.34Å; W565-W569 AromaticContact CE3-CE3 3.98Å; W565-W569 HydrophobicContact CE3-CE3 3.98Å; W565-W569 AromaticContact CE3-CG 3.73Å; W565-W569 HydrophobicContact CE3-CG 3.73Å; W565-W569 HydrophobicContact CE3-CH2 4.29Å; W565-W569 AromaticContact CE3-CZ2 3.8Å; W565-W569 HydrophobicContact CE3-CZ2 3.8Å; W565-W569 HydrophobicContact CE3-CZ3 4.37Å; W565-W569 AromaticContact CE3-NE1 3.53Å; W565-W569 HydrophobicContact CH2-CZ2 4.47Å; W565-W569 AromaticContact CZ3-CD2 3.98Å; W565-W569 HydrophobicContact CZ3-CD2 3.98Å; W565-W569 AromaticContact CZ3-CE2 3.35Å; W565-W569 HydrophobicContact CZ3-CG 4.47Å; W565-W569 HydrophobicContact CZ3-CH2 4.12Å; W565-W569 AromaticContact CZ3-CZ2 3.44Å; W565-W569 HydrophobicContact CZ3-CZ2 3.44Å; W565-W569 VanDerWaalsContact CZ3-CZ2 3.44Å; W565-W569 AromaticContact CZ3-NE1 3.5Å; T567-W569 VanDerWaalsContact C-N 3.3Å; T567-W569 PolarHBondContact O-N 3Å |
| 570 | G | 70.4 | Confident | 67.6 | Low | 6 Ų | 6 | 44.7 Ų | 44.7 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | 71 | -160.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K528 N572 A573 | K528-G570 CarbonylContact O-C 3.33Å; K528-G570 WeakPolarHBondContact O-CA 3.46Å; G570-N572 PolarHBondContact O-N 2.86Å; G570-A573 PolarHBondContact O-N 3.43Å; G570-A573 VanDerWaalsContact O-N 3.16Å |
| 571 | E | 64.2 | Low | 67.1 | Low | 110 Ų | 110 | 43.3 Ų | 43.3 | 51% | 0.514 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -62.5 | -14 | -172.4 | -64.4 | -171 | 166.1 | 0 | 0 | 114.8 | K528 G530 | K528-E571 PolarHBondContact O-N 3.16Å; G530-E571 PolarHBondContact N-OE1 3.07Å |
| 572 | N | 56.9 | Low | 66.9 | Low | 69 Ų | 69 | 42.7 Ų | 42.7 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -85.1 | -2.1 | 179.9 | -71.4 | -39.6 | 0 | 0 | 0 | 114.3 | I369 T567 G570 R574 | I369-N572 WeakPolarHBondContact CG1-ND2 3.21Å; T567-N572 CarbonylContact O-C 3.53Å; G570-N572 PolarHBondContact O-N 2.86Å; N572-R574 PolarHBondContact O-N 3.11Å |
| 573 | A | 50.2 | Low | 66.7 | Low | 65 Ų | 65 | 44.8 Ų | 44.8 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | trans | -70 | 62.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T567 G570 | T567-A573 WeakPolarHBondContact O-CA 3.34Å; T567-A573 PolarHBondContact O-N 3.39Å; G570-A573 PolarHBondContact O-N 3.43Å; G570-A573 VanDerWaalsContact O-N 3.16Å | ||
| 574 | R | 41.5 | Very low | 66.1 | Low | 175 Ų | 175 | 47.9 Ų | 47.9 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | trans | -88.5 | 159.3 | -176.7 | -75.4 | -176.6 | 171.9 | 138.5 | -0.9 | 112.2 | N572 A576 Y577 | N572-R574 PolarHBondContact O-N 3.11Å; R574-A576 PolarHBondContact O-N 2.98Å; R574-Y577 PolarHBondContact O-N 3.04Å | ||
| 575 | A | 43.2 | Very low | 66.4 | Low | 69 Ų | 69 | 48 Ų | 48 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -11.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G610 | A575-G610 CarbonylContact O-C 3.47Š|
| 576 | A | 52.3 | Low | 66.9 | Low | 40 Ų | 40 | 51.4 Ų | 51.4 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 10.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R574 Y578 E579 D580 | R574-A576 PolarHBondContact O-N 2.98Å; A576-Y578 VanDerWaalsContact C-N 3.25Å; A576-Y578 PolarHBondContact O-N 2.95Å; A576-E579 PolarHBondContact O-N 2.77Å; A576-E579 VanDerWaalsContact O-N 3.12Å; A576-D580 PolarHBondContact O-N 3.43Å |
| 577 | Y | 73.3 | Confident | 67.1 | Low | 28 Ų | 28 | 58.7 Ų | 58.7 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -47.5 | -42.4 | -175.9 | 175.1 | -85.7 | 0 | 0 | 0 | 114.2 | R574 D580 H581 F613 M616 | R574-Y577 PolarHBondContact O-N 3.04Å; Y577-D580 PolarHBondContact O-N 2.63Å; Y577-H581 HydrophobicContact CE1-CB 4.14Å; Y577-H581 HydrophobicContact CE2-CB 4.43Å; Y577-H581 WeakPolarHBondContact O-CB 3.32Å; Y577-H581 PolarHBondContact O-N 3.31Å; Y577-F613 HydrophobicContact CD1-CB 3.79Å; Y577-F613 HydrophobicContact CD1-CD2 4.17Å; Y577-F613 HydrophobicContact CD1-CG 4.49Å; Y577-F613 HydrophobicContact CD2-CB 4Å; Y577-F613 HydrophobicContact CE1-CB 3.98Å; Y577-F613 AromaticContact CE1-CD2 3.47Å; Y577-F613 HydrophobicContact CE1-CD2 3.47Å; Y577-F613 VanDerWaalsContact CE1-CD2 3.47Å; Y577-F613 HydrophobicContact CE1-CE2 4.4Å; Y577-F613 HydrophobicContact CE1-CG 4.19Å; Y577-F613 HydrophobicContact CE2-CB 4.16Å; Y577-F613 HydrophobicContact CE2-CD2 4.04Å; Y577-F613 HydrophobicContact CE2-CG 4.35Å; Y577-F613 HydrophobicContact CG-CB 3.8Å; Y577-F613 AromaticContact CZ-CD2 3.38Å; Y577-F613 WeakPolarHBondContact OH-CD2 3.5Å; Y577-M616 HydrophobicContact CD1-CE 3.27Å; Y577-M616 HydrophobicContact CE1-CE 3.44Å; Y577-M616 VanDerWaalsContact CE1-CE 3.44Å |
| 578 | Y | 83.1 | Confident | 67.1 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | -177.6 | -179.5 | -113.8 | 0 | 0 | 0 | 112.9 | A576 Y582 L604 N605 F608 M611 M616 Y815 Y816 | A576-Y578 VanDerWaalsContact C-N 3.25Å; A576-Y578 PolarHBondContact O-N 2.95Å; Y578-Y582 WeakPolarHBondContact O-CB 3.48Å; Y578-Y582 PolarHBondContact O-N 3.25Å; Y578-Y582 VanDerWaalsContact O-N 3.08Å; Y578-L604 HydrophobicContact CD1-CD2 3.89Å; Y578-L604 HydrophobicContact CE1-CD2 3.36Å; Y578-N605 PolarHBondContact OH-N 3.46Å; Y578-F608 WeakPolarHBondContact CB-O 2.91Å; Y578-F608 HydrophobicContact CD1-CB 3.71Å; Y578-F608 VanDerWaalsContact CD1-O 3.23Å; Y578-F608 WeakPolarHBondContact CD1-O 3.03Å; Y578-F608 HydrophobicContact CD2-CB 3.6Å; Y578-F608 HydrophobicContact CD2-CG 4.37Å; Y578-F608 HydrophobicContact CE1-CB 3.62Å; Y578-F608 HydrophobicContact CE2-CB 3.52Å; Y578-F608 AromaticContact CE2-CD2 3.86Å; Y578-F608 HydrophobicContact CE2-CD2 3.86Å; Y578-F608 HydrophobicContact CE2-CG 4.05Å; Y578-F608 HydrophobicContact CG-CB 3.69Å; Y578-M611 PolarHBondContact N-O 3.41Å; Y578-M616 HydrophobicContact CD2-CE 4.15Å; Y578-M616 HydrophobicContact CD2-SD 3.54Å; Y578-M616 VanDerWaalsContact CD2-SD 3.54Å; Y578-M616 HydrophobicContact CE2-SD 4.31Å; Y578-M616 HydrophobicContact CG-SD 4.2Å; Y578-Y815 PolarHBondContact OH-O 2.77Å; Y578-Y816 HydrophobicContact CD2-CD1 4.43Å; Y578-Y816 AromaticContact CD2-CE1 3.53Å; Y578-Y816 HydrophobicContact CD2-CE1 3.53Å; Y578-Y816 AromaticContact CD2-CZ 3.78Å; Y578-Y816 HydrophobicContact CE1-CE1 4.34Å; Y578-Y816 AromaticContact CE2-CD1 3.54Å; Y578-Y816 HydrophobicContact CE2-CD1 3.54Å; Y578-Y816 AromaticContact CE2-CE1 3.05Å; Y578-Y816 HydrophobicContact CE2-CE1 3.05Å; Y578-Y816 HydrophobicContact CE2-CG 4.44Å; Y578-Y816 AromaticContact CE2-CZ 3.64Å; Y578-Y816 HydrophobicContact CG-CE1 4.33Å; Y578-Y816 AromaticContact CZ-CD1 3.71Å; Y578-Y816 AromaticContact CZ-CE1 3.52Å; Y578-Y816 WeakPolarHBondContact O-CE1 3.33Å; Y578-Y816 PolarHBondContact O-OH 3.06Å |
| 579 | E | 84.1 | Confident | 67.6 | Low | 49 Ų | 49 | 59.7 Ų | 59.7 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 176.9 | -76.2 | 74.7 | -166.4 | 0 | 0 | 112.5 | A576 Y582 A583 R609 G610 | A576-E579 PolarHBondContact O-N 2.77Å; A576-E579 VanDerWaalsContact O-N 3.12Å; E579-Y582 WeakPolarHBondContact O-CB 3.46Å; E579-Y582 PolarHBondContact O-N 3.26Å; E579-A583 PolarHBondContact O-N 3.44Å; E579-R609 VanDerWaalsContact OE1-CA 3.25Å; E579-R609 WeakPolarHBondContact OE1-CA 3.25Å; E579-R609 WeakPolarHBondContact OE1-CD 3.1Å; E579-R609 IonicContact OE1-NH1 3.83Å; E579-G610 PolarHBondContact OE1-N 3.18Å; E579-G610 WeakPolarHBondContact OE2-CA 3.39Å; E579-G610 PolarHBondContact OE2-N 3.11Å |
| 580 | D | 76.8 | Confident | 67.5 | Low | 84 Ų | 84 | 64 Ų | 64 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | -179.7 | -66.3 | -21.7 | 0 | 0 | 0 | 111 | A576 Y577 Y582 A583 E584 | A576-D580 PolarHBondContact O-N 3.43Å; Y577-D580 PolarHBondContact O-N 2.63Å; D580-Y582 VanDerWaalsContact C-N 3.28Å; D580-Y582 PolarHBondContact O-N 3.06Å; D580-A583 PolarHBondContact O-N 2.98Å; D580-A583 VanDerWaalsContact O-N 3.16Å; D580-E584 PolarHBondContact O-N 3.08Å |
| 581 | H | 79.4 | Confident | 66.7 | Low | 15 Ų | 15 | 68.2 Ų | 68.2 | 7% | 0.069 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.7 | -28.3 | 176.9 | -170.9 | 59 | 0 | 0 | 0 | 112.1 | Y577 E584 L585 S812 Y816 | Y577-H581 HydrophobicContact CE1-CB 4.14Å; Y577-H581 HydrophobicContact CE2-CB 4.43Å; Y577-H581 WeakPolarHBondContact O-CB 3.32Å; Y577-H581 PolarHBondContact O-N 3.31Å; H581-E584 IonicContact CE1-OE2 2.7Å; H581-E584 IonicContact CG-OE2 3.1Å; H581-E584 IonicContact ND1-OE2 3.96Å; H581-E584 PolarHBondContact ND1-OE2 2.72Å; H581-E584 PolarHBondContact O-N 3.03Å; H581-L585 WeakPolarHBondContact O-CB 3.26Å; H581-L585 WeakPolarHBondContact O-CG 3.34Å; H581-L585 PolarHBondContact O-N 2.91Å; H581-S812 WeakPolarHBondContact NE2-CB 2.96Å; H581-S812 PolarHBondContact NE2-OG 3.39Å; H581-Y816 WeakPolarHBondContact CB-OH 3.45Å; H581-Y816 AromaticContact CD2-CE2 3.69Å; H581-Y816 AromaticContact CD2-CZ 3.96Å; H581-Y816 PolarHBondContact CD2-OH 3.01Å |
| 582 | Y | 82.2 | Confident | 65.7 | Low | 42 Ų | 42 | 72.9 Ų | 72.9 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 168.6 | 176.8 | -103.7 | 0 | 0 | 0 | 111.8 | Y578 E579 D580 E584 L585 K586 F602 L604 Y816 | Y578-Y582 WeakPolarHBondContact O-CB 3.48Å; Y578-Y582 PolarHBondContact O-N 3.25Å; Y578-Y582 VanDerWaalsContact O-N 3.08Å; E579-Y582 WeakPolarHBondContact O-CB 3.46Å; E579-Y582 PolarHBondContact O-N 3.26Å; D580-Y582 VanDerWaalsContact C-N 3.28Å; D580-Y582 PolarHBondContact O-N 3.06Å; Y582-E584 PolarHBondContact O-N 3Å; Y582-L585 PolarHBondContact O-N 2.81Å; Y582-K586 HydrophobicContact CD1-CB 4.47Å; Y582-K586 HydrophobicContact CD1-CD 4.44Å; Y582-K586 HydrophobicContact CE1-CB 4.24Å; Y582-K586 HydrophobicContact CE1-CD 3.65Å; Y582-K586 HydrophobicContact CE1-CG 4.37Å; Y582-K586 WeakPolarHBondContact O-CA 3.33Å; Y582-K586 WeakPolarHBondContact O-CB 2.87Å; Y582-K586 PolarHBondContact O-N 3.21Å; Y582-F602 HydrophobicContact CD2-CD1 4.41Å; Y582-F602 AromaticContact CD2-CE1 3.46Å; Y582-F602 HydrophobicContact CD2-CE1 3.46Å; Y582-F602 VanDerWaalsContact CD2-CE1 3.46Å; Y582-F602 AromaticContact CD2-CZ 3.58Å; Y582-F602 HydrophobicContact CD2-CZ 3.58Å; Y582-F602 AromaticContact CE2-CD1 3.8Å; Y582-F602 HydrophobicContact CE2-CD1 3.8Å; Y582-F602 AromaticContact CE2-CE1 3.23Å; Y582-F602 HydrophobicContact CE2-CE1 3.23Å; Y582-F602 AromaticContact CE2-CZ 3.83Å; Y582-F602 HydrophobicContact CE2-CZ 3.83Å; Y582-L604 HydrophobicContact CD1-CD1 3.33Å; Y582-L604 HydrophobicContact CD1-CD2 3.93Å; Y582-L604 HydrophobicContact CD1-CG 3.6Å; Y582-L604 HydrophobicContact CD2-CD1 4.34Å; Y582-L604 HydrophobicContact CD2-CD2 3.96Å; Y582-L604 HydrophobicContact CD2-CG 3.69Å; Y582-L604 HydrophobicContact CE1-CD1 3.32Å; Y582-L604 HydrophobicContact CE1-CG 3.76Å; Y582-L604 HydrophobicContact CE2-CD1 4.34Å; Y582-L604 HydrophobicContact CE2-CG 3.86Å; Y582-L604 HydrophobicContact CG-CD1 3.85Å; Y582-L604 HydrophobicContact CG-CD2 3.55Å; Y582-L604 HydrophobicContact CG-CG 3.54Å; Y582-Y816 AromaticContact CD2-CD1 3.64Å; Y582-Y816 HydrophobicContact CD2-CD1 3.64Å; Y582-Y816 AromaticContact CD2-CE1 3.98Å; Y582-Y816 HydrophobicContact CD2-CE1 3.98Å; Y582-Y816 HydrophobicContact CD2-CG 4.36Å; Y582-Y816 HydrophobicContact CG-CD1 4.35Å; Y582-Y816 HydrophobicContact CG-CE1 4.24Å; Y582-Y816 PolarHBondContact N-OH 3.36Å |
| 583 | A | 74.8 | Confident | 65 | Low | 52 Ų | 52 | 71.9 Ų | 71.9 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E579 D580 | E579-A583 PolarHBondContact O-N 3.44Å; D580-A583 PolarHBondContact O-N 2.98Å; D580-A583 VanDerWaalsContact O-N 3.16Å |
| 584 | E | 69.3 | Low | 64.5 | Low | 77 Ų | 77 | 73.4 Ų | 73.4 | 36% | 0.36 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -56.9 | 172.8 | -174.7 | -166.4 | 170.8 | 0 | 0 | 112 | D580 H581 Y582 K586 K587 | D580-E584 PolarHBondContact O-N 3.08Å; H581-E584 IonicContact CE1-OE2 2.7Å; H581-E584 IonicContact CG-OE2 3.1Å; H581-E584 IonicContact ND1-OE2 3.96Å; H581-E584 PolarHBondContact ND1-OE2 2.72Å; H581-E584 PolarHBondContact O-N 3.03Å; Y582-E584 PolarHBondContact O-N 3Å; E584-K586 PolarHBondContact O-N 3.06Å; E584-K587 PolarHBondContact O-N 3.35Å |
| 585 | L | 74.5 | Confident | 64.7 | Low | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | -178.2 | -72.8 | -178.9 | 0 | 0 | 0 | 112.4 | H581 Y582 K587 A588 F589 F602 D813 Y816 K826 | H581-L585 WeakPolarHBondContact O-CB 3.26Å; H581-L585 WeakPolarHBondContact O-CG 3.34Å; H581-L585 PolarHBondContact O-N 2.91Å; Y582-L585 PolarHBondContact O-N 2.81Å; L585-K587 VanDerWaalsContact C-N 3.27Å; L585-K587 PolarHBondContact O-N 3.46Å; L585-A588 CarbonylContact O-C 3.45Å; L585-A588 WeakPolarHBondContact O-CA 3.48Å; L585-A588 WeakPolarHBondContact O-CB 3.37Å; L585-A588 PolarHBondContact O-N 3.46Å; L585-F589 HydrophobicContact CB-CD2 4.43Å; L585-F589 WeakPolarHBondContact O-CD2 3.49Å; L585-F589 PolarHBondContact O-N 3.16Å; L585-F602 HydrophobicContact CB-CE1 4.25Å; L585-F602 HydrophobicContact CB-CE2 4.02Å; L585-F602 HydrophobicContact CB-CZ 3.45Å; L585-F602 VanDerWaalsContact CB-CZ 3.45Å; L585-F602 HydrophobicContact CD1-CE2 4.04Å; L585-F602 HydrophobicContact CD1-CZ 4.15Å; L585-F602 HydrophobicContact CG-CZ 4.48Å; L585-D813 HydrophobicContact CD1-CB 4.41Å; L585-Y816 HydrophobicContact CD1-CD2 3.83Å; L585-Y816 HydrophobicContact CD1-CE2 3.67Å; L585-K826 HydrophobicContact CD2-CB 3.89Å |
| 586 | K | 76.8 | Confident | 64.8 | Low | 75 Ų | 75 | 74 Ų | 74 | 33% | 0.326 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.5 | -43.3 | 178.7 | 179.6 | -179.8 | 172.9 | -172.5 | 0 | 110.9 | Y582 E584 A588 F589 E590 F602 | Y582-K586 HydrophobicContact CD1-CB 4.47Å; Y582-K586 HydrophobicContact CD1-CD 4.44Å; Y582-K586 HydrophobicContact CE1-CB 4.24Å; Y582-K586 HydrophobicContact CE1-CD 3.65Å; Y582-K586 HydrophobicContact CE1-CG 4.37Å; Y582-K586 WeakPolarHBondContact O-CA 3.33Å; Y582-K586 WeakPolarHBondContact O-CB 2.87Å; Y582-K586 PolarHBondContact O-N 3.21Å; E584-K586 PolarHBondContact O-N 3.06Å; K586-A588 PolarHBondContact O-N 3.22Å; K586-F589 PolarHBondContact O-N 2.99Å; K586-F589 VanDerWaalsContact O-N 3.13Å; K586-E590 WeakPolarHBondContact CE-OE1 3.45Å; K586-E590 VanDerWaalsContact CE-OE2 3.3Å; K586-E590 WeakPolarHBondContact CE-OE2 3.49Å; K586-E590 HydrophobicContact CG-CG 3.97Å; K586-E590 IonicContact NZ-OE1 3.68Å; K586-E590 PolarHBondContact NZ-OE1 2.95Å; K586-E590 WeakPolarHBondContact O-CB 3.39Å; K586-E590 WeakPolarHBondContact O-CG 3.35Å; K586-E590 PolarHBondContact O-N 2.96Å; K586-F602 HydrophobicContact CB-CE1 4.15Å |
| 587 | K | 66.6 | Low | 65 | Low | 162 Ų | 162 | 81.8 Ų | 81.8 | 70% | 0.704 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.7 | -38.9 | 174.9 | -71.4 | 178.8 | 179.8 | 178.9 | 0 | 112 | E584 L585 T591 | E584-K587 PolarHBondContact O-N 3.35Å; L585-K587 VanDerWaalsContact C-N 3.27Å; L585-K587 PolarHBondContact O-N 3.46Å; K587-T591 PolarHBondContact O-N 3.17Å; K587-T591 PolarHBondContact O-OG1 3.27Å |
| 588 | A | 63.6 | Low | 64.7 | Low | 39 Ų | 39 | 83.2 Ų | 83.2 | 32% | 0.322 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.7 | -27.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L585 K586 | L585-A588 CarbonylContact O-C 3.45Å; L585-A588 WeakPolarHBondContact O-CA 3.48Å; L585-A588 WeakPolarHBondContact O-CB 3.37Å; L585-A588 PolarHBondContact O-N 3.46Å; K586-A588 PolarHBondContact O-N 3.22Å |
| 589 | F | 68.5 | Low | 64.5 | Low | 59 Ų | 59 | 84.8 Ų | 84.8 | 26% | 0.259 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -86.8 | -26.6 | 174.5 | -82.9 | -88.3 | 0 | 0 | 0 | 113.3 | L585 K586 W600 F602 K825 | L585-F589 HydrophobicContact CB-CD2 4.43Å; L585-F589 WeakPolarHBondContact O-CD2 3.49Å; L585-F589 PolarHBondContact O-N 3.16Å; K586-F589 PolarHBondContact O-N 2.99Å; K586-F589 VanDerWaalsContact O-N 3.13Å; F589-W600 HydrophobicContact CE1-CH2 4.28Å; F589-W600 AromaticContact CE1-CZ2 3.94Å; F589-W600 HydrophobicContact CE1-CZ2 3.94Å; F589-W600 AromaticContact CZ-CH2 3.87Å; F589-W600 HydrophobicContact CZ-CH2 3.87Å; F589-W600 AromaticContact CZ-CZ2 3.66Å; F589-W600 HydrophobicContact CZ-CZ2 3.66Å; F589-F602 HydrophobicContact CB-CD1 4.07Å; F589-F602 HydrophobicContact CB-CG 4.37Å; F589-F602 HydrophobicContact CD1-CB 3.88Å; F589-F602 HydrophobicContact CD1-CD2 4.49Å; F589-F602 HydrophobicContact CD1-CG 4.12Å; F589-F602 HydrophobicContact CD2-CB 4.41Å; F589-F602 AromaticContact CD2-CD1 3.9Å; F589-F602 HydrophobicContact CD2-CD1 3.9Å; F589-F602 AromaticContact CD2-CD2 3.72Å; F589-F602 HydrophobicContact CD2-CD2 3.72Å; F589-F602 HydrophobicContact CD2-CE1 4.06Å; F589-F602 AromaticContact CD2-CE2 3.88Å; F589-F602 HydrophobicContact CD2-CE2 3.88Å; F589-F602 AromaticContact CD2-CG 3.74Å; F589-F602 HydrophobicContact CD2-CG 3.74Å; F589-F602 HydrophobicContact CD2-CZ 4.08Å; F589-F602 HydrophobicContact CE1-CB 4.08Å; F589-F602 HydrophobicContact CE1-CD2 4.3Å; F589-F602 HydrophobicContact CE1-CG 4.32Å; F589-F602 AromaticContact CE2-CD2 3.51Å; F589-F602 HydrophobicContact CE2-CD2 3.51Å; F589-F602 AromaticContact CE2-CE2 3.68Å; F589-F602 HydrophobicContact CE2-CE2 3.68Å; F589-F602 AromaticContact CE2-CG 3.98Å; F589-F602 HydrophobicContact CE2-CG 3.98Å; F589-F602 HydrophobicContact CE2-CZ 4.31Å; F589-F602 HydrophobicContact CG-CB 4.05Å; F589-F602 AromaticContact CG-CD1 3.98Å; F589-F602 HydrophobicContact CG-CD1 3.98Å; F589-F602 HydrophobicContact CG-CD2 4.23Å; F589-F602 AromaticContact CG-CG 3.83Å; F589-F602 HydrophobicContact CG-CG 3.83Å; F589-F602 HydrophobicContact CZ-CB 4.45Å; F589-F602 AromaticContact CZ-CD2 3.82Å; F589-F602 HydrophobicContact CZ-CD2 3.82Å; F589-F602 HydrophobicContact CZ-CE2 4.39Å; F589-F602 HydrophobicContact CZ-CG 4.26Å; F589-K825 HydrophobicContact CZ-CB 4.2Å |
| 590 | E | 65.6 | Low | 64.6 | Low | 119 Ų | 119 | 82.8 Ų | 82.8 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -84.6 | -23.6 | 179.2 | -76.2 | -174.6 | 150.3 | 0 | 0 | 114.1 | K586 K592 | K586-E590 WeakPolarHBondContact CE-OE1 3.45Å; K586-E590 VanDerWaalsContact CE-OE2 3.3Å; K586-E590 WeakPolarHBondContact CE-OE2 3.49Å; K586-E590 HydrophobicContact CG-CG 3.97Å; K586-E590 IonicContact NZ-OE1 3.68Å; K586-E590 PolarHBondContact NZ-OE1 2.95Å; K586-E590 WeakPolarHBondContact O-CB 3.39Å; K586-E590 WeakPolarHBondContact O-CG 3.35Å; K586-E590 PolarHBondContact O-N 2.96Å; E590-K592 VanDerWaalsContact C-N 3.26Å; E590-K592 PolarHBondContact O-N 3.3Å |
| 591 | T | 54.9 | Low | 65.1 | Low | 94 Ų | 94 | 85.8 Ų | 85.8 | 58% | 0.577 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -67.9 | 91 | 169.9 | 18.4 | 0 | 0 | 0 | 0 | 108.3 | K587 A593 | K587-T591 PolarHBondContact O-N 3.17Å; K587-T591 PolarHBondContact O-OG1 3.27Å; T591-A593 VanDerWaalsContact C-N 3.31Å; T591-A593 PolarHBondContact O-N 3Å |
| 592 | K | 42.4 | Very low | 65.5 | Low | 207 Ų | 207 | 86.8 Ų | 86.8 | 90% | 0.9 | 46% | 0.456 | S | S | * | . | trans | -56.2 | 87.8 | 177.1 | -68.5 | -178 | -179.8 | 177.4 | 0 | 110.2 | E590 | E590-K592 VanDerWaalsContact C-N 3.26Å; E590-K592 PolarHBondContact O-N 3.3Å | ||
| 593 | A | 42.3 | Very low | 65.8 | Low | 49 Ų | 49 | 85.2 Ų | 85.2 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | trans | -94.2 | 110.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y451 T591 | Y451-A593 HydrophobicContact CE1-CB 3.67Å; Y451-A593 HydrophobicContact CE2-CB 3.88Å; Y451-A593 WeakPolarHBondContact OH-CB 3.15Å; T591-A593 VanDerWaalsContact C-N 3.31Å; T591-A593 PolarHBondContact O-N 3Å | ||
| 594 | D | 38.9 | Very low | 66.6 | Low | 97 Ų | 97 | 84.4 Ų | 84.4 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 69 | 139 | 171.7 | -141.5 | -7.6 | 0 | 0 | 0 | 114.9 | Q596 | D594-Q596 PolarHBondContact O-N 3.31Š|
| 595 | G | 45.9 | Very low | 67.6 | Low | 80 Ų | 80 | 80.7 Ų | 80.7 | 83% | 0.825 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -62.9 | 9.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | K597 | G595-K597 PolarHBondContact O-N 3.42Š|
| 596 | Q | 46.4 | Very low | 68.3 | Low | 176 Ų | 176 | 84.7 Ų | 84.7 | 82% | 0.822 | 44% | 0.444 | S | S | * | . | trans | -75.9 | 105.3 | 175.1 | -82.1 | -173.5 | -10.1 | 0 | 0 | 111.1 | D594 S598 | D594-Q596 PolarHBondContact O-N 3.31Å; Q596-S598 PolarHBondContact O-N 2.93Å | ||
| 597 | K | 55.4 | Low | 68.9 | Low | 204 Ų | 204 | 81.6 Ų | 81.6 | 89% | 0.887 | 43% | 0.431 | S | S | * | . | trans | -54.2 | 126.8 | 167.3 | -75 | 178.3 | 178.1 | 173.3 | 0 | 109.3 | G595 S599 | G595-K597 PolarHBondContact O-N 3.42Å; K597-S599 PolarHBondContact O-N 3.3Å | ||
| 598 | S | 68.3 | Low | 70 | Confident | 57 Ų | 57 | 73.9 Ų | 73.9 | 40% | 0.399 | 40% | 0.397 | S | S | . | . | trans | -51.8 | 137 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | Q596 W600 | Q596-S598 PolarHBondContact O-N 2.93Å; S598-W600 VanDerWaalsContact CB-O 3.29Å; S598-W600 WeakPolarHBondContact CB-O 3.27Å; S598-W600 PolarHBondContact O-N 3.19Å; S598-W600 VanDerWaalsContact O-N 3.16Å; S598-W600 PolarHBondContact OG-N 2.89Å; S598-W600 PolarHBondContact OG-O 3.15Å | ||
| 599 | S | 78.1 | Confident | 71 | Confident | 34 Ų | 34 | 76.1 Ų | 76.1 | 24% | 0.238 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -63.2 | -16.1 | 175.2 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | K597 G820 V821 E846 | K597-S599 PolarHBondContact O-N 3.3Å; S599-G820 CarbonylContact O-C 3.4Å; S599-G820 VanDerWaalsContact O-CA 3.29Å; S599-G820 WeakPolarHBondContact O-CA 3.18Å; S599-V821 WeakPolarHBondContact CB-O 3.44Å; S599-V821 PolarHBondContact O-N 3.1Å; S599-V821 PolarHBondContact OG-O 3.26Å; S599-E846 WeakPolarHBondContact CB-OE2 3.21Å |
| 600 | W | 85 | Confident | 71.5 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154 | 176.9 | 65 | -80.6 | 0 | 0 | 0 | 113.3 | F589 S598 F602 D813 Y817 S819 Y822 V823 | F589-W600 HydrophobicContact CE1-CH2 4.28Å; F589-W600 AromaticContact CE1-CZ2 3.94Å; F589-W600 HydrophobicContact CE1-CZ2 3.94Å; F589-W600 AromaticContact CZ-CH2 3.87Å; F589-W600 HydrophobicContact CZ-CH2 3.87Å; F589-W600 AromaticContact CZ-CZ2 3.66Å; F589-W600 HydrophobicContact CZ-CZ2 3.66Å; S598-W600 VanDerWaalsContact CB-O 3.29Å; S598-W600 WeakPolarHBondContact CB-O 3.27Å; S598-W600 PolarHBondContact O-N 3.19Å; S598-W600 VanDerWaalsContact O-N 3.16Å; S598-W600 PolarHBondContact OG-N 2.89Å; S598-W600 PolarHBondContact OG-O 3.15Å; W600-F602 HydrophobicContact CE3-CB 4.48Å; W600-F602 HydrophobicContact CH2-CB 4.34Å; W600-F602 AromaticContact CH2-CD2 3.69Å; W600-F602 HydrophobicContact CH2-CD2 3.69Å; W600-F602 HydrophobicContact CZ3-CB 3.96Å; W600-F602 AromaticContact CZ3-CD2 3.86Å; W600-F602 HydrophobicContact CZ3-CD2 3.86Å; W600-F602 HydrophobicContact CZ3-CG 4.42Å; W600-D813 HydrophobicContact CH2-CB 4.33Å; W600-Y817 HydrophobicContact CB-CD2 3.99Å; W600-Y817 HydrophobicContact CB-CE2 3.87Å; W600-Y817 HydrophobicContact CD2-CD2 4.17Å; W600-Y817 AromaticContact CE3-CD2 3.79Å; W600-Y817 HydrophobicContact CE3-CD2 3.79Å; W600-Y817 HydrophobicContact CE3-CG 4.47Å; W600-Y817 HydrophobicContact CG-CD2 4.29Å; W600-S819 CarbonylContact C-O 3.57Å; W600-S819 WeakPolarHBondContact CA-O 3.38Å; W600-S819 WeakPolarHBondContact CB-O 3.49Å; W600-Y822 HydrophobicContact CD2-CD2 4.15Å; W600-Y822 AromaticContact CE2-CD2 3.93Å; W600-Y822 HydrophobicContact CH2-CD2 4.43Å; W600-Y822 HydrophobicContact CH2-CE2 4.29Å; W600-Y822 HydrophobicContact CZ2-CD2 4.08Å; W600-Y822 AromaticContact CZ2-CE2 3.98Å; W600-Y822 HydrophobicContact CZ2-CE2 3.98Å; W600-V823 PolarHBondContact NE1-O 3.45Å |
| 601 | K | 87.8 | Confident | 72.3 | Confident | 146 Ų | 146 | 69.2 Ų | 69.2 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.2 | 176.8 | -61.4 | -172.5 | -171 | 171.5 | 0 | 110.6 | K818 S819 | K601-K818 HydrophobicContact CB-CB 4.13Å; K601-K818 VanDerWaalsContact O-CB 3.3Å; K601-K818 WeakPolarHBondContact O-CB 3.33Å; K601-K818 PolarHBondContact O-N 3.17Å; K601-S819 WeakPolarHBondContact CD-OG 3.4Å; K601-S819 WeakPolarHBondContact CG-OG 3.37Å; K601-S819 PolarHBondContact N-O 2.83Å |
| 602 | F | 87.9 | Confident | 73.5 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 135.9 | 172.4 | 179.7 | -100 | 0 | 0 | 0 | 110.7 | Y582 L585 K586 F589 W600 Y816 | Y582-F602 HydrophobicContact CD2-CD1 4.41Å; Y582-F602 AromaticContact CD2-CE1 3.46Å; Y582-F602 HydrophobicContact CD2-CE1 3.46Å; Y582-F602 VanDerWaalsContact CD2-CE1 3.46Å; Y582-F602 AromaticContact CD2-CZ 3.58Å; Y582-F602 HydrophobicContact CD2-CZ 3.58Å; Y582-F602 AromaticContact CE2-CD1 3.8Å; Y582-F602 HydrophobicContact CE2-CD1 3.8Å; Y582-F602 AromaticContact CE2-CE1 3.23Å; Y582-F602 HydrophobicContact CE2-CE1 3.23Å; Y582-F602 AromaticContact CE2-CZ 3.83Å; Y582-F602 HydrophobicContact CE2-CZ 3.83Å; L585-F602 HydrophobicContact CB-CE1 4.25Å; L585-F602 HydrophobicContact CB-CE2 4.02Å; L585-F602 HydrophobicContact CB-CZ 3.45Å; L585-F602 VanDerWaalsContact CB-CZ 3.45Å; L585-F602 HydrophobicContact CD1-CE2 4.04Å; L585-F602 HydrophobicContact CD1-CZ 4.15Å; L585-F602 HydrophobicContact CG-CZ 4.48Å; K586-F602 HydrophobicContact CB-CE1 4.15Å; F589-F602 HydrophobicContact CB-CD1 4.07Å; F589-F602 HydrophobicContact CB-CG 4.37Å; F589-F602 HydrophobicContact CD1-CB 3.88Å; F589-F602 HydrophobicContact CD1-CD2 4.49Å; F589-F602 HydrophobicContact CD1-CG 4.12Å; F589-F602 HydrophobicContact CD2-CB 4.41Å; F589-F602 AromaticContact CD2-CD1 3.9Å; F589-F602 HydrophobicContact CD2-CD1 3.9Å; F589-F602 AromaticContact CD2-CD2 3.72Å; F589-F602 HydrophobicContact CD2-CD2 3.72Å; F589-F602 HydrophobicContact CD2-CE1 4.06Å; F589-F602 AromaticContact CD2-CE2 3.88Å; F589-F602 HydrophobicContact CD2-CE2 3.88Å; F589-F602 AromaticContact CD2-CG 3.74Å; F589-F602 HydrophobicContact CD2-CG 3.74Å; F589-F602 HydrophobicContact CD2-CZ 4.08Å; F589-F602 HydrophobicContact CE1-CB 4.08Å; F589-F602 HydrophobicContact CE1-CD2 4.3Å; F589-F602 HydrophobicContact CE1-CG 4.32Å; F589-F602 AromaticContact CE2-CD2 3.51Å; F589-F602 HydrophobicContact CE2-CD2 3.51Å; F589-F602 AromaticContact CE2-CE2 3.68Å; F589-F602 HydrophobicContact CE2-CE2 3.68Å; F589-F602 AromaticContact CE2-CG 3.98Å; F589-F602 HydrophobicContact CE2-CG 3.98Å; F589-F602 HydrophobicContact CE2-CZ 4.31Å; F589-F602 HydrophobicContact CG-CB 4.05Å; F589-F602 AromaticContact CG-CD1 3.98Å; F589-F602 HydrophobicContact CG-CD1 3.98Å; F589-F602 HydrophobicContact CG-CD2 4.23Å; F589-F602 AromaticContact CG-CG 3.83Å; F589-F602 HydrophobicContact CG-CG 3.83Å; F589-F602 HydrophobicContact CZ-CB 4.45Å; F589-F602 AromaticContact CZ-CD2 3.82Å; F589-F602 HydrophobicContact CZ-CD2 3.82Å; F589-F602 HydrophobicContact CZ-CE2 4.39Å; F589-F602 HydrophobicContact CZ-CG 4.26Å; W600-F602 HydrophobicContact CE3-CB 4.48Å; W600-F602 HydrophobicContact CH2-CB 4.34Å; W600-F602 AromaticContact CH2-CD2 3.69Å; W600-F602 HydrophobicContact CH2-CD2 3.69Å; W600-F602 HydrophobicContact CZ3-CB 3.96Å; W600-F602 AromaticContact CZ3-CD2 3.86Å; W600-F602 HydrophobicContact CZ3-CD2 3.86Å; W600-F602 HydrophobicContact CZ3-CG 4.42Å; F602-Y816 HydrophobicContact CD2-CG 4.33Å; F602-Y816 HydrophobicContact CE2-CD1 4.42Å; F602-Y816 AromaticContact CE2-CD2 3.69Å; F602-Y816 HydrophobicContact CE2-CD2 3.69Å; F602-Y816 AromaticContact CE2-CG 3.52Å; F602-Y816 HydrophobicContact CE2-CG 3.52Å; F602-Y816 HydrophobicContact CZ-CD1 4.35Å; F602-Y816 HydrophobicContact CZ-CD2 4.14Å; F602-Y816 AromaticContact CZ-CG 3.85Å; F602-Y816 HydrophobicContact CZ-CG 3.85Å |
| 603 | G | 89.8 | Confident | 75.1 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | trans | 178.9 | 167.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y816 | G603-Y816 PolarHBondContact N-O 2.84Å; G603-Y816 CarbonylContact O-C 3.53Å; G603-Y816 WeakPolarHBondContact O-CA 3.4Å; G603-Y816 WeakPolarHBondContact O-CB 3.31Å | ||
| 604 | L | 90.5 | Very high | 76.7 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 18% | 0.183 | 32% | 0.322 | C | S | . | . | trans | -73.2 | 140.7 | 175.9 | -71.5 | 151 | 0 | 0 | 0 | 111.8 | Y578 Y582 R609 Y816 K818 | Y578-L604 HydrophobicContact CD1-CD2 3.89Å; Y578-L604 HydrophobicContact CE1-CD2 3.36Å; Y582-L604 HydrophobicContact CD1-CD1 3.33Å; Y582-L604 HydrophobicContact CD1-CD2 3.93Å; Y582-L604 HydrophobicContact CD1-CG 3.6Å; Y582-L604 HydrophobicContact CD2-CD1 4.34Å; Y582-L604 HydrophobicContact CD2-CD2 3.96Å; Y582-L604 HydrophobicContact CD2-CG 3.69Å; Y582-L604 HydrophobicContact CE1-CD1 3.32Å; Y582-L604 HydrophobicContact CE1-CG 3.76Å; Y582-L604 HydrophobicContact CE2-CD1 4.34Å; Y582-L604 HydrophobicContact CE2-CG 3.86Å; Y582-L604 HydrophobicContact CG-CD1 3.85Å; Y582-L604 HydrophobicContact CG-CD2 3.55Å; Y582-L604 HydrophobicContact CG-CG 3.54Å; L604-R609 VanDerWaalsContact CB-NH2 3.35Å; L604-R609 VanDerWaalsContact CD1-NH1 3.3Å; L604-Y816 HydrophobicContact CD2-CE1 4.34Å; L604-K818 WeakPolarHBondContact O-CD 3.41Å; L604-K818 PolarHBondContact O-NZ 3.01Å | ||
| 605 | N | 91.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -113.8 | 131.2 | 175.8 | -74.9 | -61.8 | 0 | 0 | 0 | 110.1 | Y578 R607 F608 Y815 Y817 K818 W859 G860 | Y578-N605 PolarHBondContact OH-N 3.46Å; N605-R607 PolarHBondContact O-N 3.08Å; N605-F608 HydrophobicContact CB-CD2 4.21Å; N605-F608 PolarHBondContact O-N 3.17Å; N605-F608 VanDerWaalsContact O-N 3.12Å; N605-Y815 PolarHBondContact ND2-O 3.22Å; N605-Y817 PolarHBondContact ND2-O 2.86Å; N605-K818 VanDerWaalsContact OD1-CD 3.26Å; N605-K818 WeakPolarHBondContact OD1-CD 2.86Å; N605-K818 PolarHBondContact OD1-NZ 2.94Å; N605-W859 VanDerWaalsContact ND2-CD1 3.33Å; N605-G860 PolarHBondContact OD1-N 2.86Å | ||
| 606 | D | 88.9 | Confident | 80.7 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -61.8 | -21.7 | -178.6 | -64.9 | -26.9 | 0 | 0 | 0 | 112.8 | F608 R609 R858 | D606-F608 PolarHBondContact O-N 3.4Å; D606-R609 IonicContact OD1-NE 2.87Å; D606-R858 HydrophobicContact CB-CB 4.39Å |
| 607 | R | 88.6 | Confident | 82.5 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 4% | 0.038 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -57.4 | -34.4 | 175.3 | 178.3 | 59.3 | -172.9 | 92.5 | -3.8 | 113.6 | N605 M611 S669 W855 R858 W859 | N605-R607 PolarHBondContact O-N 3.08Å; R607-M611 PolarHBondContact NH1-SD 2.94Å; R607-M611 VanDerWaalsContact NH1-SD 3.42Å; R607-S669 PolarHBondContact NH2-O 3Å; R607-W855 WeakPolarHBondContact CD-O 3.42Å; R607-W855 HydrophobicContact CG-CB 4.37Å; R607-R858 HydrophobicContact CB-CB 4.44Å; R607-W859 HydrophobicContact CB-CB 4.14Å |
| 608 | F | 89.2 | Confident | 84 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -110.3 | 2.7 | -170.1 | -58.9 | -55.8 | 0 | 0 | 0 | 114.4 | Y578 N605 D606 G610 M611 M616 L619 Y815 W855 W859 | Y578-F608 WeakPolarHBondContact CB-O 2.91Å; Y578-F608 HydrophobicContact CD1-CB 3.71Å; Y578-F608 VanDerWaalsContact CD1-O 3.23Å; Y578-F608 WeakPolarHBondContact CD1-O 3.03Å; Y578-F608 HydrophobicContact CD2-CB 3.6Å; Y578-F608 HydrophobicContact CD2-CG 4.37Å; Y578-F608 HydrophobicContact CE1-CB 3.62Å; Y578-F608 HydrophobicContact CE2-CB 3.52Å; Y578-F608 AromaticContact CE2-CD2 3.86Å; Y578-F608 HydrophobicContact CE2-CD2 3.86Å; Y578-F608 HydrophobicContact CE2-CG 4.05Å; Y578-F608 HydrophobicContact CG-CB 3.69Å; N605-F608 HydrophobicContact CB-CD2 4.21Å; N605-F608 PolarHBondContact O-N 3.17Å; N605-F608 VanDerWaalsContact O-N 3.12Å; D606-F608 PolarHBondContact O-N 3.4Å; F608-G610 PolarHBondContact O-N 2.74Å; F608-M611 HydrophobicContact CB-SD 4.46Å; F608-M611 HydrophobicContact CD1-SD 3.77Å; F608-M611 VanDerWaalsContact O-CB 3.31Å; F608-M611 WeakPolarHBondContact O-CB 3.19Å; F608-M611 PolarHBondContact O-N 2.67Å; F608-M616 HydrophobicContact CB-SD 4.07Å; F608-M616 HydrophobicContact CD1-CG 3.92Å; F608-M616 HydrophobicContact CD1-SD 4.11Å; F608-M616 HydrophobicContact CG-CG 4.49Å; F608-M616 HydrophobicContact CG-SD 4.1Å; F608-L619 HydrophobicContact CE1-CD1 3.75Å; F608-Y815 HydrophobicContact CD2-CD1 4.33Å; F608-Y815 WeakPolarHBondContact CD2-O 3.22Å; F608-Y815 HydrophobicContact CE1-CD1 4.1Å; F608-Y815 HydrophobicContact CE1-CE1 4.5Å; F608-Y815 AromaticContact CE2-CD1 3.73Å; F608-Y815 HydrophobicContact CE2-CD1 3.73Å; F608-Y815 HydrophobicContact CE2-CG 4.27Å; F608-Y815 AromaticContact CZ-CD1 3.61Å; F608-Y815 HydrophobicContact CZ-CD1 3.61Å; F608-Y815 HydrophobicContact CZ-CE1 4.29Å; F608-W855 HydrophobicContact CE1-CE3 4.48Å; F608-W855 HydrophobicContact CE2-CE3 4.01Å; F608-W855 AromaticContact CE2-CZ3 3.98Å; F608-W855 HydrophobicContact CE2-CZ3 3.98Å; F608-W855 AromaticContact CZ-CD2 3.83Å; F608-W855 HydrophobicContact CZ-CD2 3.83Å; F608-W855 AromaticContact CZ-CE3 3.41Å; F608-W855 HydrophobicContact CZ-CE3 3.41Å; F608-W855 VanDerWaalsContact CZ-CE3 3.41Å; F608-W855 HydrophobicContact CZ-CH2 4.04Å; F608-W855 HydrophobicContact CZ-CZ2 4.44Å; F608-W855 AromaticContact CZ-CZ3 3.53Å; F608-W855 HydrophobicContact CZ-CZ3 3.53Å; F608-W859 AromaticContact CE2-CD1 3.31Å; F608-W859 HydrophobicContact CE2-CG 4.25Å; F608-W859 AromaticContact CE2-NE1 3.72Å |
| 609 | R | 86.2 | Confident | 85.1 | Confident | 85 Ų | 85 | 37.7 Ų | 37.7 | 32% | 0.321 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 120.9 | -176.6 | -70 | -66.9 | -165.7 | 172.8 | 5.2 | 112.7 | E579 L604 D606 M611 R754 | E579-R609 VanDerWaalsContact OE1-CA 3.25Å; E579-R609 WeakPolarHBondContact OE1-CA 3.25Å; E579-R609 WeakPolarHBondContact OE1-CD 3.1Å; E579-R609 IonicContact OE1-NH1 3.83Å; L604-R609 VanDerWaalsContact CB-NH2 3.35Å; L604-R609 VanDerWaalsContact CD1-NH1 3.3Å; D606-R609 IonicContact OD1-NE 2.87Å; R609-M611 PolarHBondContact O-N 2.93Å; R609-R754 VanDerWaalsContact O-CZ 3.26Å; R609-R754 PolarHBondContact O-NH1 3.36Å; R609-R754 PolarHBondContact O-NH2 3.29Å |
| 610 | G | 78.4 | Confident | 85.7 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 30% | 0.299 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 23.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A575 E579 F608 | A575-G610 CarbonylContact O-C 3.47Å; E579-G610 PolarHBondContact OE1-N 3.18Å; E579-G610 WeakPolarHBondContact OE2-CA 3.39Å; E579-G610 PolarHBondContact OE2-N 3.11Å; F608-G610 PolarHBondContact O-N 2.74Å |
| 611 | M | 82.7 | Confident | 86 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | trans | -84.5 | 137.5 | 169.4 | -70.7 | -177.1 | 66.9 | 0 | 0 | 109.9 | Y578 R607 F608 R609 E615 M616 L619 | Y578-M611 PolarHBondContact N-O 3.41Å; R607-M611 PolarHBondContact NH1-SD 2.94Å; R607-M611 VanDerWaalsContact NH1-SD 3.42Å; F608-M611 HydrophobicContact CB-SD 4.46Å; F608-M611 HydrophobicContact CD1-SD 3.77Å; F608-M611 VanDerWaalsContact O-CB 3.31Å; F608-M611 WeakPolarHBondContact O-CB 3.19Å; F608-M611 PolarHBondContact O-N 2.67Å; R609-M611 PolarHBondContact O-N 2.93Å; M611-E615 HydrophobicContact CB-CB 4.3Å; M611-E615 VanDerWaalsContact CE-C 3.45Å; M611-E615 HydrophobicContact CE-CB 3.53Å; M611-E615 WeakPolarHBondContact CE-O 3.39Å; M611-M616 HydrophobicContact CB-CG 3.9Å; M611-M616 HydrophobicContact CE-CG 4.18Å; M611-M616 HydrophobicContact SD-CG 4.5Å; M611-L619 HydrophobicContact CE-CD1 4.36Å | ||
| 612 | S | 78.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 30.4 Ų | 30.4 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | trans | -70.4 | 161.3 | 167.1 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | D614 E615 M616 | S612-D614 VanDerWaalsContact C-N 3.27Å; S612-D614 PolarHBondContact O-N 3.49Å; S612-E615 WeakPolarHBondContact CB-OE2 3.39Å; S612-E615 PolarHBondContact N-OE2 3.11Å; S612-E615 PolarHBondContact O-N 3.49Å; S612-E615 VanDerWaalsContact O-N 3.16Å; S612-E615 VanDerWaalsContact OG-CD 3.32Å; S612-E615 WeakPolarHBondContact OG-CG 3.19Å; S612-E615 PolarHBondContact OG-N 3.23Å; S612-E615 PolarHBondContact OG-OE2 3.18Å; S612-M616 PolarHBondContact O-N 2.86Å; S612-M616 VanDerWaalsContact O-N 3.11Å | ||
| 613 | F | 77.4 | Confident | 85.3 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.2 | -43.7 | 174.5 | -178.1 | -109.5 | 0 | 0 | 0 | 112.4 | D310 Y577 E615 M616 K617 I830 | D310-F613 HydrophobicContact CB-CE1 4.09Å; Y577-F613 HydrophobicContact CD1-CB 3.79Å; Y577-F613 HydrophobicContact CD1-CD2 4.17Å; Y577-F613 HydrophobicContact CD1-CG 4.49Å; Y577-F613 HydrophobicContact CD2-CB 4Å; Y577-F613 HydrophobicContact CE1-CB 3.98Å; Y577-F613 AromaticContact CE1-CD2 3.47Å; Y577-F613 HydrophobicContact CE1-CD2 3.47Å; Y577-F613 VanDerWaalsContact CE1-CD2 3.47Å; Y577-F613 HydrophobicContact CE1-CE2 4.4Å; Y577-F613 HydrophobicContact CE1-CG 4.19Å; Y577-F613 HydrophobicContact CE2-CB 4.16Å; Y577-F613 HydrophobicContact CE2-CD2 4.04Å; Y577-F613 HydrophobicContact CE2-CG 4.35Å; Y577-F613 HydrophobicContact CG-CB 3.8Å; Y577-F613 AromaticContact CZ-CD2 3.38Å; Y577-F613 WeakPolarHBondContact OH-CD2 3.5Å; F613-E615 VanDerWaalsContact C-N 3.34Å; F613-E615 PolarHBondContact O-N 2.91Å; F613-M616 PolarHBondContact O-N 3.34Å; F613-K617 HydrophobicContact CE1-CD 4.04Å; F613-K617 HydrophobicContact CZ-CD 4.35Å; F613-K617 WeakPolarHBondContact O-CB 3.26Å; F613-K617 PolarHBondContact O-N 2.81Å; F613-I830 HydrophobicContact CE2-CD1 3.72Å; F613-I830 HydrophobicContact CE2-CG1 4.1Å; F613-I830 HydrophobicContact CE2-CG2 4.02Å; F613-I830 HydrophobicContact CZ-CD1 4.42Å; F613-I830 HydrophobicContact CZ-CG1 4.33Å; F613-I830 HydrophobicContact CZ-CG2 3.89Å |
| 614 | D | 74.6 | Confident | 84.1 | Confident | 76 Ų | 76 | 33 Ų | 33 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 178.8 | -77.9 | -3.7 | 0 | 0 | 0 | 112.6 | S612 R618 | S612-D614 VanDerWaalsContact C-N 3.27Å; S612-D614 PolarHBondContact O-N 3.49Å; D614-R618 WeakPolarHBondContact O-CB 3.18Å; D614-R618 PolarHBondContact O-N 3.44Å; D614-R618 VanDerWaalsContact O-N 3.07Å |
| 615 | E | 83.3 | Confident | 82.2 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.9 | -39 | 177.1 | -70.9 | 169.9 | 122.6 | 0 | 0 | 111.7 | M611 S612 F613 | M611-E615 HydrophobicContact CB-CB 4.3Å; M611-E615 VanDerWaalsContact CE-C 3.45Å; M611-E615 HydrophobicContact CE-CB 3.53Å; M611-E615 WeakPolarHBondContact CE-O 3.39Å; S612-E615 WeakPolarHBondContact CB-OE2 3.39Å; S612-E615 PolarHBondContact N-OE2 3.11Å; S612-E615 PolarHBondContact O-N 3.49Å; S612-E615 VanDerWaalsContact O-N 3.16Å; S612-E615 VanDerWaalsContact OG-CD 3.32Å; S612-E615 WeakPolarHBondContact OG-CG 3.19Å; S612-E615 PolarHBondContact OG-N 3.23Å; S612-E615 PolarHBondContact OG-OE2 3.18Å; F613-E615 VanDerWaalsContact C-N 3.34Å; F613-E615 PolarHBondContact O-N 2.91Å |
| 616 | M | 85.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -46.7 | 175.7 | -68.7 | -168.4 | -70.8 | 0 | 0 | 111.9 | Y577 Y578 F608 M611 S612 F613 R618 L619 Y815 | Y577-M616 HydrophobicContact CD1-CE 3.27Å; Y577-M616 HydrophobicContact CE1-CE 3.44Å; Y577-M616 VanDerWaalsContact CE1-CE 3.44Å; Y578-M616 HydrophobicContact CD2-CE 4.15Å; Y578-M616 HydrophobicContact CD2-SD 3.54Å; Y578-M616 VanDerWaalsContact CD2-SD 3.54Å; Y578-M616 HydrophobicContact CE2-SD 4.31Å; Y578-M616 HydrophobicContact CG-SD 4.2Å; F608-M616 HydrophobicContact CB-SD 4.07Å; F608-M616 HydrophobicContact CD1-CG 3.92Å; F608-M616 HydrophobicContact CD1-SD 4.11Å; F608-M616 HydrophobicContact CG-CG 4.49Å; F608-M616 HydrophobicContact CG-SD 4.1Å; M611-M616 HydrophobicContact CB-CG 3.9Å; M611-M616 HydrophobicContact CE-CG 4.18Å; M611-M616 HydrophobicContact SD-CG 4.5Å; S612-M616 PolarHBondContact O-N 2.86Å; S612-M616 VanDerWaalsContact O-N 3.11Å; F613-M616 PolarHBondContact O-N 3.34Å; M616-R618 VanDerWaalsContact C-N 3.26Å; M616-R618 PolarHBondContact O-N 3.19Å; M616-L619 WeakPolarHBondContact O-CB 3.47Å; M616-L619 WeakPolarHBondContact O-CG 2.86Å; M616-L619 PolarHBondContact O-N 3.45Å; M616-L619 VanDerWaalsContact O-N 3.1Å; M616-Y815 HydrophobicContact CB-CE1 3.97Å; M616-Y815 HydrophobicContact CB-CE2 4.14Å; M616-Y815 HydrophobicContact CE-CD2 4.39Å; M616-Y815 HydrophobicContact CE-CE2 4.4Å; M616-Y815 HydrophobicContact SD-CD1 4.27Å; M616-Y815 HydrophobicContact SD-CD2 3.97Å; M616-Y815 HydrophobicContact SD-CE2 4.19Å; M616-Y815 HydrophobicContact SD-CG 4Å |
| 617 | K | 84.3 | Confident | 77.4 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -32.3 | 179.2 | -177.3 | 168.1 | 177 | -176.8 | 0 | 112.6 | D310 F613 L619 L620 I830 | D310-K617 WeakPolarHBondContact OD2-CD 3.32Å; D310-K617 VanDerWaalsContact OD2-CE 3.23Å; D310-K617 WeakPolarHBondContact OD2-CE 3.42Å; D310-K617 IonicContact OD2-NZ 3.79Å; D310-K617 PolarHBondContact OD2-NZ 3.24Å; F613-K617 HydrophobicContact CE1-CD 4.04Å; F613-K617 HydrophobicContact CZ-CD 4.35Å; F613-K617 WeakPolarHBondContact O-CB 3.26Å; F613-K617 PolarHBondContact O-N 2.81Å; K617-L619 PolarHBondContact O-N 3.45Å; K617-L619 VanDerWaalsContact O-N 3.1Å; K617-L620 WeakPolarHBondContact O-CB 3.43Å; K617-L620 PolarHBondContact O-N 3.19Å; K617-I830 HydrophobicContact CB-CG2 3.98Å; K617-I830 HydrophobicContact CD-CG2 3.86Å; K617-I830 VanDerWaalsContact CE-O 3.28Å; K617-I830 WeakPolarHBondContact CE-O 3.24Å; K617-I830 HydrophobicContact CG-CG2 3.8Å |
| 618 | R | 86.6 | Confident | 74.6 | Confident | 70 Ų | 70 | 48 Ų | 48 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.4 | 175.9 | -155.8 | -173.5 | -51.7 | -73.6 | -3.3 | 113.3 | D614 M616 L620 G672 K756 | D614-R618 WeakPolarHBondContact O-CB 3.18Å; D614-R618 PolarHBondContact O-N 3.44Å; D614-R618 VanDerWaalsContact O-N 3.07Å; M616-R618 VanDerWaalsContact C-N 3.26Å; M616-R618 PolarHBondContact O-N 3.19Å; R618-L620 PolarHBondContact O-N 3.2Å; R618-G672 WeakPolarHBondContact O-CA 3.47Å; R618-G672 PolarHBondContact O-N 3.41Å; R618-K756 VanDerWaalsContact NH1-CE 3.3Å |
| 619 | L | 92.3 | Very high | 71.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.6 | 177.5 | -53.2 | -179.5 | 0 | 0 | 0 | 112.8 | F608 M611 M616 K617 G621 Q668 S669 H833 | F608-L619 HydrophobicContact CE1-CD1 3.75Å; M611-L619 HydrophobicContact CE-CD1 4.36Å; M616-L619 WeakPolarHBondContact O-CB 3.47Å; M616-L619 WeakPolarHBondContact O-CG 2.86Å; M616-L619 PolarHBondContact O-N 3.45Å; M616-L619 VanDerWaalsContact O-N 3.1Å; K617-L619 PolarHBondContact O-N 3.45Å; K617-L619 VanDerWaalsContact O-N 3.1Å; L619-G621 VanDerWaalsContact C-N 3.3Å; L619-G621 PolarHBondContact O-N 3.2Å; L619-G621 VanDerWaalsContact O-N 3.14Å; L619-Q668 HydrophobicContact CD2-CG 4.37Å; L619-Q668 PolarHBondContact O-NE2 2.85Å; L619-S669 WeakPolarHBondContact CD2-O 3.39Å; L619-H833 PolarHBondContact O-ND1 2.67Å |
| 620 | L | 91.4 | Very high | 69.3 | Low | 17 Ų | 17 | 53 Ų | 53 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | trans | -89.1 | 65 | -179.8 | -47.4 | -176.6 | 0 | 0 | 0 | 110.3 | K617 R618 V622 V810 I830 N832 H833 W855 | K617-L620 WeakPolarHBondContact O-CB 3.43Å; K617-L620 PolarHBondContact O-N 3.19Å; R618-L620 PolarHBondContact O-N 3.2Å; L620-V622 VanDerWaalsContact C-N 3.28Å; L620-V622 PolarHBondContact O-N 2.86Å; L620-V810 HydrophobicContact CD1-CB 4.01Å; L620-V810 HydrophobicContact CD1-CG1 4.07Å; L620-V810 HydrophobicContact CD2-CB 4.03Å; L620-V810 HydrophobicContact CD2-CG1 4.03Å; L620-V810 HydrophobicContact CD2-CG2 3.89Å; L620-I830 HydrophobicContact CD1-CB 4.01Å; L620-I830 HydrophobicContact CD1-CG2 3.7Å; L620-N832 CarbonylContact C-O 3.56Å; L620-H833 HydrophobicContact CD2-CB 3.97Å; L620-W855 HydrophobicContact CD2-CZ2 3.92Å | ||
| 621 | G | 90.4 | Very high | 67 | Low | 6 Ų | 6 | 59.6 Ų | 59.6 | 6% | 0.062 | 32% | 0.316 | C | S | . | . | trans | -78.9 | 12.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | L619 S623 G672 C674 G717 G718 | L619-G621 VanDerWaalsContact C-N 3.3Å; L619-G621 PolarHBondContact O-N 3.2Å; L619-G621 VanDerWaalsContact O-N 3.14Å; G621-S623 PolarHBondContact O-N 3.3Å; G621-G672 WeakPolarHBondContact CA-O 3.35Å; G621-C674 PolarHBondContact N-SG 2.95Å; G621-G717 CarbonylContact O-C 3.56Å; G621-G717 WeakPolarHBondContact O-CA 3.25Å; G621-G718 PolarHBondContact O-N 2.61Å | ||
| 622 | V | 85.5 | Confident | 64.8 | Low | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -80.5 | 120 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | L620 F624 G718 I807 N832 A834 | L620-V622 VanDerWaalsContact C-N 3.28Å; L620-V622 PolarHBondContact O-N 2.86Å; V622-F624 HydrophobicContact CG1-CE1 4.39Å; V622-F624 HydrophobicContact CG1-CE2 4.39Å; V622-F624 HydrophobicContact CG1-CZ 4.13Å; V622-G718 WeakPolarHBondContact CA-O 3.46Å; V622-I807 HydrophobicContact CB-CG2 4.45Å; V622-I807 HydrophobicContact CG1-CD1 4.08Å; V622-I807 HydrophobicContact CG1-CG1 4.43Å; V622-I807 HydrophobicContact CG1-CG2 3.89Å; V622-I807 HydrophobicContact CG2-CG2 4.35Å; V622-N832 HydrophobicContact CB-CB 3.99Å; V622-N832 HydrophobicContact CG1-CB 4.26Å; V622-N832 PolarHBondContact N-O 3.05Å; V622-A834 HydrophobicContact CG2-CB 3.58Å |
| 623 | S | 75.2 | Confident | 62.6 | Low | 19 Ų | 19 | 71.4 Ų | 71.4 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | trans | -116 | 136.9 | 172.9 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | G621 D625 G718 | G621-S623 PolarHBondContact O-N 3.3Å; S623-D625 PolarHBondContact OG-N 2.77Å; S623-D625 PolarHBondContact OG-OD2 3.05Å; S623-G718 PolarHBondContact N-O 2.85Å | ||
| 624 | F | 65.8 | Low | 61.2 | Low | 80 Ų | 80 | 72.4 Ų | 72.4 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | trans | -99 | -5.8 | 173.4 | -63.3 | -69.1 | 0 | 0 | 0 | 112.5 | V622 N626 L627 I807 N832 | V622-F624 HydrophobicContact CG1-CE1 4.39Å; V622-F624 HydrophobicContact CG1-CE2 4.39Å; V622-F624 HydrophobicContact CG1-CZ 4.13Å; F624-N626 PolarHBondContact O-N 3.22Å; F624-N626 VanDerWaalsContact O-N 3.13Å; F624-L627 PolarHBondContact O-N 3.17Å; F624-I807 HydrophobicContact CE1-CD1 4.43Å; F624-I807 HydrophobicContact CZ-CG2 4.04Å; F624-N832 HydrophobicContact CE2-CB 4.26Å; F624-N832 WeakPolarHBondContact CE2-ND2 3.44Å | ||
| 625 | D | 49.9 | Very low | 59.9 | Low | 147 Ų | 147 | 72.5 Ų | 72.5 | 79% | 0.786 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.1 | -172.5 | -47.5 | -53.4 | 0 | 0 | 0 | 113.3 | S623 | S623-D625 PolarHBondContact OG-N 2.77Å; S623-D625 PolarHBondContact OG-OD2 3.05Å |
| 626 | N | 40.5 | Very low | 58.5 | Low | 60 Ų | 60 | 73.5 Ų | 73.5 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 12.2 | -179.7 | -59.9 | -51.2 | 0 | 0 | 0 | 113.8 | F624 E628 | F624-N626 PolarHBondContact O-N 3.22Å; F624-N626 VanDerWaalsContact O-N 3.13Å; N626-E628 PolarHBondContact O-N 2.97Å |
| 627 | L | 38 | Very low | 57 | Low | 99 Ų | 99 | 74.5 Ų | 74.5 | 52% | 0.518 | 39% | 0.392 | S | S | . | . | trans | -74.5 | 87.8 | 163.7 | -66.1 | 172.3 | 0 | 0 | 0 | 106.7 | F624 | F624-L627 PolarHBondContact O-N 3.17Š| ||
| 628 | E | 31.3 | Very low | 55.6 | Low | 148 Ų | 148 | 77 Ų | 77 | 69% | 0.692 | 41% | 0.407 | S | S | * | . | trans | -51.3 | 134.3 | 153.6 | -72.2 | -160.4 | 162.5 | 0 | 0 | 106.4 | N626 S630 | N626-E628 PolarHBondContact O-N 2.97Å; E628-S630 PolarHBondContact O-N 3.01Å; E628-S630 PolarHBondContact O-OG 2.76Å | ||
| 629 | P | 31.4 | Very low | 54 | Low | 138 Ų | 138 | 77.3 Ų | 77.3 | 90% | 0.896 | 41% | 0.409 | S | S | * | . | trans | -69.6 | 63.4 | 161.1 | 31.3 | -30.9 | 0 | 0 | 0 | 107.1 | ||||
| 630 | S | 31.1 | Very low | 51.9 | Low | 51 Ų | 51 | 83.2 Ų | 83.2 | 36% | 0.357 | 45% | 0.45 | S | S | . | . | trans | -84.3 | 138.4 | 168.4 | 51.3 | 0 | 0 | 0 | 0 | 105 | E628 F632 | E628-S630 PolarHBondContact O-N 3.01Å; E628-S630 PolarHBondContact O-OG 2.76Å; S630-F632 PolarHBondContact O-N 3.02Å; S630-F632 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 631 | N | 29.8 | Very low | 49.8 | Very low | 169 Ų | 169 | 88.6 Ų | 88.6 | 90% | 0.904 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -55.7 | 27.6 | -177.7 | -71.6 | -20.4 | 0 | 0 | 0 | 116.1 | T633 | N631-T633 PolarHBondContact O-N 3.39Å; N631-T633 VanDerWaalsContact O-N 3.12Å |
| 632 | F | 37.1 | Very low | 47.9 | Very low | 146 Ų | 146 | 95.9 Ų | 95.9 | 64% | 0.64 | 52% | 0.515 | S | S | * | . | trans | -79.2 | 89.1 | 172.3 | -75.8 | -82 | 0 | 0 | 0 | 109.4 | S630 M634 | S630-F632 PolarHBondContact O-N 3.02Å; S630-F632 WeakPolarHBondContact OG-CD2 3.48Å; F632-M634 PolarHBondContact O-N 3.2Å; F632-M634 VanDerWaalsContact O-N 3.08Å | ||
| 633 | T | 33.9 | Very low | 46.7 | Very low | 134 Ų | 134 | 100.6 Ų | 100.6 | 82% | 0.822 | 54% | 0.537 | S | S | * | . | trans | -59.6 | 111.7 | 158.8 | 44.3 | 0 | 0 | 0 | 0 | 107.9 | N631 E635 | N631-T633 PolarHBondContact O-N 3.39Å; N631-T633 VanDerWaalsContact O-N 3.12Å; T633-E635 PolarHBondContact O-N 3.28Å | ||
| 634 | M | 47.5 | Very low | 46.7 | Very low | 65 Ų | 65 | 108 Ų | 108 | 32% | 0.32 | 58% | 0.575 | S | S | . | * | trans | -67.9 | 123.5 | 173.3 | 179.3 | 167.9 | 60.5 | 0 | 0 | 107.4 | F632 I636 F721 G786 | F632-M634 PolarHBondContact O-N 3.2Å; F632-M634 VanDerWaalsContact O-N 3.08Å; M634-I636 HydrophobicContact CE-CD1 3.94Å; M634-I636 HydrophobicContact CE-CG1 3.82Å; M634-I636 HydrophobicContact CG-CG1 4.22Å; M634-I636 PolarHBondContact O-N 3.07Å; M634-F721 HydrophobicContact CG-CE2 3.97Å; M634-F721 HydrophobicContact CG-CZ 4.36Å; M634-F721 HydrophobicContact SD-CD2 4.01Å; M634-F721 HydrophobicContact SD-CE2 3.84Å; M634-F721 HydrophobicContact SD-CZ 4.5Å; M634-G786 VanDerWaalsContact SD-CA 3.56Å | ||
| 635 | E | 46.5 | Very low | 47.6 | Very low | 78 Ų | 78 | 105.6 Ų | 105.6 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | trans | -63 | 113.6 | 166.7 | -162.9 | -153 | 122.4 | 0 | 0 | 107.7 | T633 R783 Y785 G786 | T633-E635 PolarHBondContact O-N 3.28Å; E635-R783 IonicContact OE1-CZ 3.2Å; E635-R783 IonicContact OE1-NE 3.16Å; E635-R783 PolarHBondContact OE1-NE 3.15Å; E635-R783 VanDerWaalsContact OE1-NE 3.12Å; E635-R783 IonicContact OE1-NH2 3.61Å; E635-R783 PolarHBondContact OE1-NH2 3.37Å; E635-R783 IonicContact OE2-CZ 3.31Å; E635-R783 IonicContact OE2-NE 2.71Å; E635-R783 PolarHBondContact OE2-NE 3.24Å; E635-R783 IonicContact OE2-NH2 2.84Å; E635-R783 PolarHBondContact OE2-NH2 3.07Å; E635-R783 VanDerWaalsContact OE2-NH2 3.08Å; E635-Y785 CarbonylContact O-C 3.37Å; E635-Y785 WeakPolarHBondContact O-CA 3.48Å; E635-Y785 WeakPolarHBondContact O-CB 3.44Å; E635-G786 PolarHBondContact O-N 3.11Å | ||
| 636 | I | 53.5 | Low | 49.6 | Very low | 66 Ų | 66 | 101.4 Ų | 101.4 | 34% | 0.338 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.6 | 176.2 | -66.5 | 176 | 0 | 0 | 0 | 106.7 | M634 G786 R788 | M634-I636 HydrophobicContact CE-CD1 3.94Å; M634-I636 HydrophobicContact CE-CG1 3.82Å; M634-I636 HydrophobicContact CG-CG1 4.22Å; M634-I636 PolarHBondContact O-N 3.07Å; I636-G786 WeakPolarHBondContact CA-O 3.5Å; I636-R788 HydrophobicContact CG2-CB 3.48Å; I636-R788 VanDerWaalsContact CG2-CB 3.48Å; I636-R788 HydrophobicContact CG2-CG 4.16Å |
| 637 | V | 55.9 | Low | 51.9 | Low | 22 Ų | 22 | 105.3 Ų | 105.3 | 13% | 0.133 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.4 | 174.9 | -138.3 | 0 | 0 | 0 | 0 | 108.5 | Y639 Y785 G786 | V637-Y639 HydrophobicContact CB-CE2 3.97Å; V637-Y639 HydrophobicContact CG1-CD2 4.49Å; V637-Y639 HydrophobicContact CG1-CE1 4.48Å; V637-Y639 HydrophobicContact CG1-CE2 3.67Å; V637-Y785 HydrophobicContact CG2-CD1 4.32Å; V637-Y785 HydrophobicContact CG2-CD2 3.15Å; V637-Y785 HydrophobicContact CG2-CE2 3.54Å; V637-Y785 HydrophobicContact CG2-CG 3.57Å; V637-G786 PolarHBondContact N-O 2.89Å; V637-G786 VanDerWaalsContact N-O 3.13Å |
| 638 | D | 53.3 | Low | 54.6 | Low | 90 Ų | 90 | 105.7 Ų | 105.7 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | trans | -129.3 | 135.3 | 176 | -166.1 | 9.8 | 0 | 0 | 0 | 108.9 | R788 N793 | D638-R788 HydrophobicContact CB-CB 4.48Å; D638-R788 VanDerWaalsContact CG-CD 3.49Å; D638-R788 WeakPolarHBondContact OD2-CD 2.72Å; D638-R788 IonicContact OD2-NE 2.99Å; D638-N793 PolarHBondContact OD1-ND2 3.31Å | ||
| 639 | Y | 54.7 | Low | 57.6 | Low | 77 Ų | 77 | 99.3 Ų | 99.3 | 30% | 0.302 | 53% | 0.532 | S | S | . | . | trans | -123.4 | 116.8 | -173 | -65.4 | -91.2 | 0 | 0 | 0 | 110.4 | V637 N793 R796 Q797 | V637-Y639 HydrophobicContact CB-CE2 3.97Å; V637-Y639 HydrophobicContact CG1-CD2 4.49Å; V637-Y639 HydrophobicContact CG1-CE1 4.48Å; V637-Y639 HydrophobicContact CG1-CE2 3.67Å; Y639-N793 PolarHBondContact N-OD1 3.37Å; Y639-R796 PolarHBondContact O-NH1 3.46Å; Y639-Q797 PolarHBondContact OH-NE2 3.05Å; Y639-Q797 VanDerWaalsContact OH-NE2 3.07Å | ||
| 640 | S | 46.9 | Very low | 60.7 | Low | 123 Ų | 123 | 93.9 Ų | 93.9 | 86% | 0.86 | 50% | 0.496 | S | S | * | . | trans | -86.2 | -11 | -174.9 | 61.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 641 | L | 47.7 | Very low | 63.8 | Low | 131 Ų | 131 | 91.5 Ų | 91.5 | 69% | 0.686 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -91 | 134.3 | -172.7 | -68.8 | 170.1 | 0 | 0 | 0 | 112.2 | E643 R796 | L641-E643 PolarHBondContact O-N 2.91Å; L641-E643 VanDerWaalsContact O-N 3.07Å; L641-R796 PolarHBondContact O-NH1 3.36Å; L641-R796 PolarHBondContact O-NH2 2.64Å |
| 642 | N | 50 | Low | 67 | Low | 158 Ų | 158 | 85.3 Ų | 85.3 | 85% | 0.845 | 44% | 0.443 | S | S | * | . | trans | -71.8 | 93 | 171.5 | -88.6 | -21.8 | 0 | 0 | 0 | 111.8 | ||||
| 643 | E | 60.2 | Low | 69.8 | Low | 112 Ų | 112 | 86.2 Ų | 86.2 | 52% | 0.523 | 45% | 0.447 | S | S | . | . | trans | -84.6 | 139.8 | 165.1 | -75.1 | -174.2 | 164.5 | 0 | 0 | 111.9 | L641 L645 R796 | L641-E643 PolarHBondContact O-N 2.91Å; L641-E643 VanDerWaalsContact O-N 3.07Å; E643-L645 PolarHBondContact O-N 3.27Å; E643-L645 VanDerWaalsContact O-N 3.12Å; E643-R796 IonicContact OE2-NE 3.2Å | ||
| 644 | N | 76 | Confident | 72.8 | Confident | 175 Ų | 175 | 84.1 Ų | 84.1 | 94% | 0.936 | 43% | 0.426 | S | S | * | . | trans | -74.4 | 95.1 | 170.4 | -74.3 | -26.7 | 0 | 0 | 0 | 110.4 | ||||
| 645 | L | 85.5 | Confident | 75.2 | Confident | 29 Ų | 29 | 82.9 Ų | 82.9 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | trans | -87 | 151 | 171.3 | -63.6 | -178.5 | 0 | 0 | 0 | 111.3 | E643 M792 M795 R796 N799 W840 | E643-L645 PolarHBondContact O-N 3.27Å; E643-L645 VanDerWaalsContact O-N 3.12Å; L645-M792 HydrophobicContact CD1-SD 3.58Å; L645-M792 VanDerWaalsContact CD1-SD 3.58Å; L645-M792 HydrophobicContact CG-SD 4.24Å; L645-M795 HydrophobicContact CB-CE 4.36Å; L645-M795 HydrophobicContact CD1-CB 3.45Å; L645-M795 VanDerWaalsContact CD1-CB 3.45Å; L645-M795 HydrophobicContact CD1-CE 4.49Å; L645-R796 HydrophobicContact CD1-CG 3.75Å; L645-R796 HydrophobicContact CD2-CG 4.45Å; L645-N799 HydrophobicContact CD2-CB 4.01Å; L645-N799 WeakPolarHBondContact CD2-ND2 3.28Å; L645-W840 HydrophobicContact CB-CZ2 4.41Å | ||
| 646 | P | 90.6 | Very high | 77.6 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | trans | -64.9 | 146.1 | 176.8 | 28.4 | -35.2 | 0 | 0 | 0 | 111.3 | E648 L649 W840 | P646-E648 PolarHBondContact O-N 3.11Å; P646-L649 HydrophobicContact CG-CB 4.35Å; P646-L649 HydrophobicContact CG-CD1 4.39Å; P646-W840 HydrophobicContact CG-CZ2 3.97Å; P646-W840 WeakPolarHBondContact O-CZ2 3.09Å; P646-W840 PolarHBondContact O-NE1 3Å | ||
| 647 | E | 90 | Very high | 79.6 | Confident | 143 Ų | 143 | 85 Ų | 85 | 67% | 0.668 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -62.2 | -28.8 | 176.9 | -71.5 | -164 | 140.7 | 0 | 0 | 112.7 | W840 | E647-W840 PolarHBondContact O-NE1 3.41Š|
| 648 | E | 93.3 | Very high | 81.6 | Confident | 106 Ų | 106 | 84.1 Ų | 84.1 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | trans | -132.2 | 138.9 | 174.6 | -49 | -159.9 | 133.2 | 0 | 0 | 111.2 | P646 W840 K842 | P646-E648 PolarHBondContact O-N 3.11Å; E648-W840 WeakPolarHBondContact CA-O 3.39Å; E648-K842 PolarHBondContact OE1-N 3.25Å | ||
| 649 | L | 94.8 | Very high | 83.7 | Confident | 14 Ų | 14 | 80.8 Ų | 80.8 | 7% | 0.073 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.3 | 172.5 | -177.2 | 150.2 | 0 | 0 | 0 | 109.9 | P646 K654 I798 N799 G839 W840 | P646-L649 HydrophobicContact CG-CB 4.35Å; P646-L649 HydrophobicContact CG-CD1 4.39Å; L649-K654 HydrophobicContact CD1-CD 3.79Å; L649-K654 HydrophobicContact CG-CD 4.46Å; L649-I798 HydrophobicContact CD2-CG2 3.68Å; L649-N799 HydrophobicContact CD1-CB 4.21Å; L649-N799 VanDerWaalsContact CD1-OD1 3.26Å; L649-N799 WeakPolarHBondContact CD1-OD1 3.44Å; L649-G839 CarbonylContact O-C 3.5Å; L649-G839 WeakPolarHBondContact O-CA 3.4Å; L649-W840 HydrophobicContact CB-CD2 3.9Å; L649-W840 HydrophobicContact CB-CE3 3.85Å; L649-W840 HydrophobicContact CB-CH2 3.52Å; L649-W840 HydrophobicContact CB-CZ2 3.54Å; L649-W840 HydrophobicContact CB-CZ3 3.64Å; L649-W840 HydrophobicContact CD1-CH2 3.46Å; L649-W840 VanDerWaalsContact CD1-CH2 3.46Å; L649-W840 HydrophobicContact CD1-CZ2 4.14Å; L649-W840 HydrophobicContact CD1-CZ3 3.82Å; L649-W840 HydrophobicContact CD2-CE3 4.31Å; L649-W840 HydrophobicContact CD2-CH2 4.33Å; L649-W840 HydrophobicContact CD2-CZ3 3.85Å; L649-W840 HydrophobicContact CG-CH2 3.95Å; L649-W840 HydrophobicContact CG-CZ2 4.42Å; L649-W840 HydrophobicContact CG-CZ3 3.97Å; L649-W840 PolarHBondContact N-O 2.88Å; L649-W840 PolarHBondContact O-N 3.12Å |
| 650 | D | 95.8 | Very high | 85.6 | Confident | 25 Ų | 25 | 85.3 Ų | 85.3 | 13% | 0.134 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.7 | 170 | -179.3 | -17.2 | 0 | 0 | 0 | 108.5 | R652 K653 K654 | D650-R652 PolarHBondContact O-N 3.4Å; D650-R652 VanDerWaalsContact O-N 3.07Å; D650-R652 VanDerWaalsContact OD1-CB 3.31Å; D650-R652 WeakPolarHBondContact OD1-CB 3.28Å; D650-R652 WeakPolarHBondContact OD1-CG 3.45Å; D650-R652 IonicContact OD1-CZ 3.76Å; D650-R652 PolarHBondContact OD1-N 3.25Å; D650-R652 IonicContact OD1-NE 2.67Å; D650-R652 PolarHBondContact OD1-NE 3.44Å; D650-R652 IonicContact OD1-NH2 2.65Å; D650-R652 IonicContact OD2-CZ 2.9Å; D650-R652 VanDerWaalsContact OD2-CZ 3.31Å; D650-R652 IonicContact OD2-NE 3.56Å; D650-R652 PolarHBondContact OD2-NE 3.04Å; D650-R652 VanDerWaalsContact OD2-NE 3.16Å; D650-R652 IonicContact OD2-NH2 2.79Å; D650-R652 PolarHBondContact OD2-NH2 3.33Å; D650-K653 HydrophobicContact CB-CB 4.35Å; D650-K653 HydrophobicContact CB-CD 4.06Å; D650-K653 HydrophobicContact CB-CG 4.04Å; D650-K653 PolarHBondContact O-N 3.11Å; D650-K654 PolarHBondContact O-N 2.79Å |
| 651 | A | 96.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.7 | -28.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K653 K654 W655 I662 P803 I838 | A651-K653 VanDerWaalsContact C-N 3.33Å; A651-K653 PolarHBondContact O-N 3.06Å; A651-K654 PolarHBondContact O-N 3.26Å; A651-W655 HydrophobicContact CB-CE3 3.78Å; A651-W655 HydrophobicContact CB-CZ3 3.75Å; A651-W655 PolarHBondContact O-N 3.02Å; A651-I662 HydrophobicContact CB-CD1 4.17Å; A651-I662 HydrophobicContact CB-CG2 4.28Å; A651-P803 HydrophobicContact CB-CG 4.05Å; A651-I838 WeakPolarHBondContact CB-O 3.42Å; A651-I838 PolarHBondContact N-O 3.18Å |
| 652 | R | 96.8 | Very high | 90.3 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 15% | 0.151 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.7 | -34.1 | 177 | -58.1 | 166.8 | -67 | -158.3 | 10.4 | 112.1 | D650 A659 I662 S663 K864 | D650-R652 PolarHBondContact O-N 3.4Å; D650-R652 VanDerWaalsContact O-N 3.07Å; D650-R652 VanDerWaalsContact OD1-CB 3.31Å; D650-R652 WeakPolarHBondContact OD1-CB 3.28Å; D650-R652 WeakPolarHBondContact OD1-CG 3.45Å; D650-R652 IonicContact OD1-CZ 3.76Å; D650-R652 PolarHBondContact OD1-N 3.25Å; D650-R652 IonicContact OD1-NE 2.67Å; D650-R652 PolarHBondContact OD1-NE 3.44Å; D650-R652 IonicContact OD1-NH2 2.65Å; D650-R652 IonicContact OD2-CZ 2.9Å; D650-R652 VanDerWaalsContact OD2-CZ 3.31Å; D650-R652 IonicContact OD2-NE 3.56Å; D650-R652 PolarHBondContact OD2-NE 3.04Å; D650-R652 VanDerWaalsContact OD2-NE 3.16Å; D650-R652 IonicContact OD2-NH2 2.79Å; D650-R652 PolarHBondContact OD2-NH2 3.33Å; R652-A659 HydrophobicContact CB-CB 4.14Å; R652-A659 WeakPolarHBondContact O-CB 3.37Å; R652-I662 HydrophobicContact CG-CB 3.97Å; R652-I662 HydrophobicContact CG-CG2 3.57Å; R652-S663 WeakPolarHBondContact CD-OG 3.46Å; R652-K864 VanDerWaalsContact NH1-CE 3.32Å |
| 653 | K | 97 | Very high | 92.4 | Very high | 165 Ų | 165 | 68.7 Ų | 68.7 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -77.8 | -39.6 | 177 | -62.2 | -178.1 | -174.5 | 174.7 | 0 | 110.9 | D650 A651 | D650-K653 HydrophobicContact CB-CB 4.35Å; D650-K653 HydrophobicContact CB-CD 4.06Å; D650-K653 HydrophobicContact CB-CG 4.04Å; D650-K653 PolarHBondContact O-N 3.11Å; A651-K653 VanDerWaalsContact C-N 3.33Å; A651-K653 PolarHBondContact O-N 3.06Å |
| 654 | K | 96.9 | Very high | 94.1 | Very high | 89 Ų | 89 | 66 Ų | 66 | 39% | 0.387 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -71.3 | -36.1 | -178.5 | -173.2 | 165.3 | -176.4 | 179.7 | 0 | 113.2 | L649 D650 A651 P656 N799 | L649-K654 HydrophobicContact CD1-CD 3.79Å; L649-K654 HydrophobicContact CG-CD 4.46Å; D650-K654 PolarHBondContact O-N 2.79Å; A651-K654 PolarHBondContact O-N 3.26Å; K654-P656 WeakPolarHBondContact O-CD 3.38Å; K654-N799 PolarHBondContact NZ-O 2.92Å; K654-N799 PolarHBondContact NZ-OD1 3.23Å |
| 655 | W | 97.3 | Very high | 95 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -120.3 | 77 | 178.3 | -62.5 | -79.7 | 0 | 0 | 0 | 111.1 | A651 N657 C658 A659 I689 I798 N799 | A651-W655 HydrophobicContact CB-CE3 3.78Å; A651-W655 HydrophobicContact CB-CZ3 3.75Å; A651-W655 PolarHBondContact O-N 3.02Å; W655-N657 VanDerWaalsContact C-N 3.28Å; W655-N657 PolarHBondContact O-N 3.12Å; W655-C658 HydrophobicContact CB-CB 4.24Å; W655-C658 CarbonylContact O-C 3.52Å; W655-C658 PolarHBondContact O-N 3.32Å; W655-A659 PolarHBondContact O-N 2.81Å; W655-A659 VanDerWaalsContact O-N 3.09Å; W655-I689 HydrophobicContact CB-CG1 4.11Å; W655-I689 HydrophobicContact CD2-CD1 3.81Å; W655-I689 HydrophobicContact CD2-CG1 3.93Å; W655-I689 HydrophobicContact CD2-CG2 4.22Å; W655-I689 HydrophobicContact CE3-CD1 3.8Å; W655-I689 HydrophobicContact CE3-CG1 4.38Å; W655-I689 HydrophobicContact CG-CD1 4.2Å; W655-I689 HydrophobicContact CG-CG1 3.78Å; W655-I689 HydrophobicContact CG-CG2 4.24Å; W655-I689 HydrophobicContact CZ2-CG2 4.32Å; W655-I689 HydrophobicContact CZ3-CD1 4.27Å; W655-I798 VanDerWaalsContact CH2-O 3.25Å; W655-I798 WeakPolarHBondContact CH2-O 3.15Å; W655-N799 WeakPolarHBondContact CH2-O 3.31Å; W655-N799 WeakPolarHBondContact CZ2-O 3.36Å | ||
| 656 | P | 96.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -59.6 | -35.4 | -174.4 | 22 | -33.2 | 0 | 0 | 0 | 113.4 | K654 C658 A659 | K654-P656 WeakPolarHBondContact O-CD 3.38Å; P656-C658 PolarHBondContact O-N 3.14Å; P656-C658 VanDerWaalsContact O-N 3.16Å; P656-A659 VanDerWaalsContact O-CB 3.25Å; P656-A659 WeakPolarHBondContact O-CB 3.27Å; P656-A659 PolarHBondContact O-N 2.94Å; P656-A659 VanDerWaalsContact O-N 3.09Å |
| 657 | N | 96.7 | Very high | 95.6 | Very high | 99 Ų | 99 | 56.2 Ų | 56.2 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.9 | -19.1 | 176.3 | -64.4 | -23.3 | 0 | 0 | 0 | 113.3 | W655 N692 | W655-N657 VanDerWaalsContact C-N 3.28Å; W655-N657 PolarHBondContact O-N 3.12Å; N657-N692 PolarHBondContact ND2-OD1 3.42Å; N657-N692 VanDerWaalsContact ND2-OD1 3.11Å |
| 658 | C | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -109.9 | -0.5 | 177.3 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | W655 P656 Q660 L661 I662 C688 I689 | W655-C658 HydrophobicContact CB-CB 4.24Å; W655-C658 CarbonylContact O-C 3.52Å; W655-C658 PolarHBondContact O-N 3.32Å; P656-C658 PolarHBondContact O-N 3.14Å; P656-C658 VanDerWaalsContact O-N 3.16Å; C658-Q660 VanDerWaalsContact C-N 3.29Å; C658-Q660 PolarHBondContact O-N 2.63Å; C658-L661 PolarHBondContact O-N 3.13Å; C658-L661 VanDerWaalsContact O-N 3.1Å; C658-I662 HydrophobicContact CB-CD1 3.79Å; C658-I662 HydrophobicContact CB-CG1 4.31Å; C658-I662 WeakPolarHBondContact O-CG1 3.41Å; C658-I662 PolarHBondContact O-N 2.84Å; C658-C688 WeakPolarHBondContact CA-SG 3.31Å; C658-C688 HydrophobicContact CB-CB 3.95Å; C658-C688 WeakPolarHBondContact CB-SG 3.26Å; C658-C688 WeakPolarHBondContact SG-CB 3.13Å; C658-C688 PolarHBondContact SG-O 3.07Å; C658-C688 VanDerWaalsContact SG-O 3.33Å; C658-C688 CovalentContact SG-SG 2.04Å; C658-C688 PolarHBondContact SG-SG 3.35Å; C658-I689 HydrophobicContact CB-CG1 4.41Å; C658-I689 PolarHBondContact SG-N 3.39Å; C658-I689 VanDerWaalsContact SG-N 3.43Å |
| 659 | A | 96.5 | Very high | 95.8 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 17% | 0.174 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R652 W655 P656 S663 | R652-A659 HydrophobicContact CB-CB 4.14Å; R652-A659 WeakPolarHBondContact O-CB 3.37Å; W655-A659 PolarHBondContact O-N 2.81Å; W655-A659 VanDerWaalsContact O-N 3.09Å; P656-A659 VanDerWaalsContact O-CB 3.25Å; P656-A659 WeakPolarHBondContact O-CB 3.27Å; P656-A659 PolarHBondContact O-N 2.94Å; P656-A659 VanDerWaalsContact O-N 3.09Å; A659-S663 WeakPolarHBondContact O-CB 3.3Å; A659-S663 PolarHBondContact O-N 2.83Å; A659-S663 PolarHBondContact O-OG 3.28Å |
| 660 | Q | 94.8 | Very high | 95.6 | Very high | 172 Ų | 172 | 43.9 Ų | 43.9 | 80% | 0.804 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.1 | -43.2 | 177.4 | -68.4 | -174.8 | -10 | 0 | 0 | 111.7 | C658 I664 | C658-Q660 VanDerWaalsContact C-N 3.29Å; C658-Q660 PolarHBondContact O-N 2.63Å; Q660-I664 WeakPolarHBondContact O-CG1 3.29Å |
| 661 | L | 95.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -48.6 | 178.7 | -174.1 | 69.5 | 0 | 0 | 0 | 111.6 | C658 S663 I664 C688 F698 | C658-L661 PolarHBondContact O-N 3.13Å; C658-L661 VanDerWaalsContact O-N 3.1Å; L661-S663 PolarHBondContact O-N 2.78Å; L661-I664 PolarHBondContact O-N 3.45Å; L661-C688 HydrophobicContact CD2-CB 3.8Å; L661-F698 HydrophobicContact CD1-CD1 3.81Å; L661-F698 HydrophobicContact CD1-CD2 4.44Å; L661-F698 HydrophobicContact CD1-CE1 3.57Å; L661-F698 HydrophobicContact CD1-CE2 4.23Å; L661-F698 HydrophobicContact CD1-CG 4.25Å; L661-F698 HydrophobicContact CD1-CZ 3.8Å |
| 662 | I | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -31.4 | -179.5 | -62.9 | 166 | 0 | 0 | 0 | 110.9 | A651 R652 C658 I664 D685 I689 P803 R836 I838 | A651-I662 HydrophobicContact CB-CD1 4.17Å; A651-I662 HydrophobicContact CB-CG2 4.28Å; R652-I662 HydrophobicContact CG-CB 3.97Å; R652-I662 HydrophobicContact CG-CG2 3.57Å; C658-I662 HydrophobicContact CB-CD1 3.79Å; C658-I662 HydrophobicContact CB-CG1 4.31Å; C658-I662 WeakPolarHBondContact O-CG1 3.41Å; C658-I662 PolarHBondContact O-N 2.84Å; I662-I664 VanDerWaalsContact C-N 3.28Å; I662-I664 PolarHBondContact O-N 3.4Å; I662-D685 HydrophobicContact CG1-CB 4.16Å; I662-I689 HydrophobicContact CD1-CD1 4.32Å; I662-P803 HydrophobicContact CG2-CG 4.49Å; I662-R836 PolarHBondContact O-NH2 2.65Å; I662-I838 HydrophobicContact CG2-CB 4.29Å; I662-I838 HydrophobicContact CG2-CG2 4.05Å |
| 663 | S | 95.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 36% | 0.357 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.9 | 179.9 | -64.8 | 0 | 0 | 0 | 0 | 114.5 | R652 A659 L661 I665 | R652-S663 WeakPolarHBondContact CD-OG 3.46Å; A659-S663 WeakPolarHBondContact O-CB 3.3Å; A659-S663 PolarHBondContact O-N 2.83Å; A659-S663 PolarHBondContact O-OG 3.28Å; L661-S663 PolarHBondContact O-N 2.78Å; S663-I665 PolarHBondContact O-N 2.9Å |
| 664 | I | 95.2 | Very high | 95.4 | Very high | 55 Ų | 55 | 33 Ų | 33 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -75.4 | 124.5 | -177.4 | -67.2 | 163.8 | 0 | 0 | 0 | 110 | Q660 L661 I662 F698 L737 R836 | Q660-I664 WeakPolarHBondContact O-CG1 3.29Å; L661-I664 PolarHBondContact O-N 3.45Å; I662-I664 VanDerWaalsContact C-N 3.28Å; I662-I664 PolarHBondContact O-N 3.4Å; I664-F698 HydrophobicContact CB-CZ 4.04Å; I664-F698 HydrophobicContact CD1-CE2 3.98Å; I664-F698 HydrophobicContact CD1-CZ 3.5Å; I664-F698 HydrophobicContact CG1-CZ 4.35Å; I664-F698 HydrophobicContact CG2-CE1 4.48Å; I664-F698 HydrophobicContact CG2-CZ 3.81Å; I664-L737 HydrophobicContact CG2-CD1 4.17Å; I664-L737 HydrophobicContact CG2-CD2 4.18Å; I664-R836 PolarHBondContact O-NH2 3.37Å |
| 665 | I | 94.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 10% | 0.097 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -93.3 | 122.9 | 170.2 | -56.4 | -53.9 | 0 | 0 | 0 | 108.2 | S663 A852 N853 N857 K864 | S663-I665 PolarHBondContact O-N 2.9Å; I665-A852 HydrophobicContact CD1-CB 3.74Å; I665-N853 WeakPolarHBondContact CG2-O 3.42Å; I665-N857 WeakPolarHBondContact CB-OD1 3.27Å; I665-K864 HydrophobicContact CD1-CG 3.93Å |
| 666 | K | 94.6 | Very high | 95.3 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -83.6 | 157.9 | 176.1 | -67.9 | -170 | 176.3 | -179.8 | 0 | 111.1 | V677 D701 L737 S854 G856 | K666-V677 HydrophobicContact CB-CG1 3.75Å; K666-V677 HydrophobicContact CD-CG1 3.87Å; K666-V677 HydrophobicContact CG-CG1 4.42Å; K666-D701 IonicContact NZ-OD1 3.8Å; K666-D701 PolarHBondContact NZ-OD1 2.9Å; K666-L737 HydrophobicContact CG-CD2 3.97Å; K666-S854 CarbonylContact O-C 3.58Å; K666-S854 VanDerWaalsContact O-CA 3.25Å; K666-S854 WeakPolarHBondContact O-CA 3.1Å; K666-G856 PolarHBondContact O-N 2.99Å; K666-G856 VanDerWaalsContact O-N 3.17Å |
| 667 | D | 94.1 | Very high | 95.3 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.144 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -118.7 | 114 | 171.8 | -173.2 | -10.3 | 0 | 0 | 0 | 108.6 | S669 Y747 P751 G752 | D667-S669 PolarHBondContact O-N 2.83Å; D667-S669 WeakPolarHBondContact OD1-CA 3.46Å; D667-S669 PolarHBondContact OD1-N 2.97Å; D667-Y747 WeakPolarHBondContact O-CE1 3.38Å; D667-P751 HydrophobicContact CB-CB 3.99Å; D667-P751 VanDerWaalsContact OD2-CA 3.25Å; D667-P751 WeakPolarHBondContact OD2-CA 3.25Å; D667-P751 VanDerWaalsContact OD2-CB 3.27Å; D667-P751 WeakPolarHBondContact OD2-CB 3.44Å; D667-G752 PolarHBondContact OD2-N 2.91Å |
| 668 | Q | 94.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -71.8 | -2.2 | 176.7 | 74.8 | -173.9 | 82.2 | 0 | 0 | 112.9 | L619 C671 V677 Y747 H833 S854 | L619-Q668 HydrophobicContact CD2-CG 4.37Å; L619-Q668 PolarHBondContact O-NE2 2.85Å; Q668-C671 PolarHBondContact NE2-O 3.05Å; Q668-C671 PolarHBondContact O-N 2.81Å; Q668-V677 HydrophobicContact CB-CG2 4.15Å; Q668-Y747 PolarHBondContact O-OH 3.42Å; Q668-H833 PolarHBondContact OE1-CE1 2.99Å; Q668-S854 WeakPolarHBondContact CG-O 3.49Å; Q668-S854 PolarHBondContact N-O 3.12Å; Q668-S854 PolarHBondContact OE1-O 3.13Å; Q668-S854 PolarHBondContact OE1-OG 2.98Å | ||
| 669 | S | 93.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -143.7 | -177.4 | -165 | 0 | 0 | 0 | 0 | 110.9 | R607 L619 D667 C671 P750 | R607-S669 PolarHBondContact NH2-O 3Å; L619-S669 WeakPolarHBondContact CD2-O 3.39Å; D667-S669 PolarHBondContact O-N 2.83Å; D667-S669 WeakPolarHBondContact OD1-CA 3.46Å; D667-S669 PolarHBondContact OD1-N 2.97Å; S669-C671 VanDerWaalsContact C-N 3.34Å; S669-C671 PolarHBondContact O-N 2.85Å; S669-P750 WeakPolarHBondContact CB-O 3.28Å; S669-P750 PolarHBondContact OG-O 3.2Å |
| 670 | N | 90.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 42.9 | 175.3 | -162.9 | 17 | 0 | 0 | 0 | 113.3 | N753 R754 K756 A757 | N670-N753 WeakPolarHBondContact CB-O 3.42Å; N670-R754 PolarHBondContact ND2-O 3.48Å; N670-K756 PolarHBondContact ND2-N 3.05Å; N670-A757 VanDerWaalsContact O-CB 3.23Å; N670-A757 WeakPolarHBondContact O-CB 3.41Å; N670-A757 PolarHBondContact O-N 2.83Å; N670-A757 VanDerWaalsContact O-N 3.11Å |
| 671 | C | 94.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -119.6 | 138 | 177.2 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | Q668 S669 S673 C715 F749 A757 | Q668-C671 PolarHBondContact NE2-O 3.05Å; Q668-C671 PolarHBondContact O-N 2.81Å; S669-C671 VanDerWaalsContact C-N 3.34Å; S669-C671 PolarHBondContact O-N 2.85Å; C671-S673 PolarHBondContact O-N 3.49Å; C671-S673 VanDerWaalsContact SG-CB 3.52Å; C671-C715 HydrophobicContact CB-CB 4.04Å; C671-C715 WeakPolarHBondContact CB-SG 3.3Å; C671-C715 WeakPolarHBondContact SG-CA 3.5Å; C671-C715 WeakPolarHBondContact SG-CB 3.23Å; C671-C715 CovalentContact SG-SG 2.04Å; C671-C715 PolarHBondContact SG-SG 3.14Å; C671-F749 HydrophobicContact CB-CD2 4.05Å; C671-F749 HydrophobicContact CB-CE2 3.93Å; C671-A757 HydrophobicContact CB-CB 3.56Å |
| 672 | G | 94.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -75.8 | 50.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R618 G621 W675 C715 | R618-G672 WeakPolarHBondContact O-CA 3.47Å; R618-G672 PolarHBondContact O-N 3.41Å; G621-G672 WeakPolarHBondContact CA-O 3.35Å; G672-W675 VanDerWaalsContact O-CD1 3.3Å; G672-W675 PolarHBondContact O-NE1 2.9Å; G672-C715 VanDerWaalsContact CA-O 3.29Å; G672-C715 WeakPolarHBondContact CA-O 3.4Å; G672-C715 PolarHBondContact N-O 3.15Å |
| 673 | S | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -102.2 | 12.6 | -172.7 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | C671 W675 A676 V677 Y747 | C671-S673 PolarHBondContact O-N 3.49Å; C671-S673 VanDerWaalsContact SG-CB 3.52Å; S673-W675 PolarHBondContact O-N 3.3Å; S673-W675 VanDerWaalsContact O-N 3.1Å; S673-A676 WeakPolarHBondContact O-CA 3.32Å; S673-A676 PolarHBondContact O-N 3.32Å; S673-V677 WeakPolarHBondContact O-CG2 3.37Å; S673-V677 PolarHBondContact O-N 3.2Å; S673-Y747 PolarHBondContact OG-OH 3.33Å | ||
| 674 | C | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -54.5 | -33.8 | -178.5 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | G621 A676 S678 H833 | G621-C674 PolarHBondContact N-SG 2.95Å; C674-A676 VanDerWaalsContact C-N 3.35Å; C674-A676 PolarHBondContact O-N 2.78Å; C674-S678 VanDerWaalsContact O-CB 3.23Å; C674-S678 WeakPolarHBondContact O-CB 3.48Å; C674-S678 PolarHBondContact O-N 3.05Å; C674-S678 PolarHBondContact O-OG 3.27Å; C674-H833 WeakPolarHBondContact CB-CE1 3.44Å; C674-H833 VanDerWaalsContact CB-ND1 3.34Å; C674-H833 WeakPolarHBondContact CB-ND1 3.46Å; C674-H833 PolarHBondContact SG-ND1 2.77Å |
| 675 | W | 94.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -61.5 | -38.1 | 173.7 | 64.7 | -89.6 | 0 | 0 | 0 | 113.2 | G672 S673 A679 L704 L705 C711 G714 P720 A723 | G672-W675 VanDerWaalsContact O-CD1 3.3Å; G672-W675 PolarHBondContact O-NE1 2.9Å; S673-W675 PolarHBondContact O-N 3.3Å; S673-W675 VanDerWaalsContact O-N 3.1Å; W675-A679 WeakPolarHBondContact O-CB 3.32Å; W675-A679 PolarHBondContact O-N 2.64Å; W675-L704 HydrophobicContact CZ3-CB 4.44Å; W675-L705 HydrophobicContact CZ2-CD1 4.16Å; W675-C711 HydrophobicContact CE3-CB 4.17Å; W675-C711 HydrophobicContact CH2-CB 3.57Å; W675-C711 HydrophobicContact CZ3-CB 3.3Å; W675-G714 PolarHBondContact NE1-O 2.8Å; W675-P720 HydrophobicContact CB-CG 3.9Å; W675-A723 HydrophobicContact CE3-CB 4.14Å; W675-A723 HydrophobicContact CZ3-CB 4.14Å |
| 676 | A | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -80.7 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S673 C674 A679 A680 L704 L705 | S673-A676 WeakPolarHBondContact O-CA 3.32Å; S673-A676 PolarHBondContact O-N 3.32Å; C674-A676 VanDerWaalsContact C-N 3.35Å; C674-A676 PolarHBondContact O-N 2.78Å; A676-A679 PolarHBondContact O-N 2.87Å; A676-A680 VanDerWaalsContact O-CB 3.3Å; A676-A680 WeakPolarHBondContact O-CB 3.42Å; A676-A680 PolarHBondContact O-N 2.89Å; A676-L704 HydrophobicContact CB-CB 3.93Å; A676-L705 HydrophobicContact CB-CB 4.48Å |
| 677 | V | 97.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 2.7 Ų | 2.7 | 2% | 0.024 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -67.1 | -46.1 | -177.9 | 176 | 0 | 0 | 0 | 0 | 111.4 | K666 Q668 S673 S681 D701 Y747 | K666-V677 HydrophobicContact CB-CG1 3.75Å; K666-V677 HydrophobicContact CD-CG1 3.87Å; K666-V677 HydrophobicContact CG-CG1 4.42Å; Q668-V677 HydrophobicContact CB-CG2 4.15Å; S673-V677 WeakPolarHBondContact O-CG2 3.37Å; S673-V677 PolarHBondContact O-N 3.2Å; V677-S681 VanDerWaalsContact O-CB 3.27Å; V677-S681 WeakPolarHBondContact O-CB 3.23Å; V677-S681 PolarHBondContact O-N 3.13Å; V677-S681 PolarHBondContact O-OG 2.91Å; V677-D701 HydrophobicContact CG2-CB 4.23Å; V677-Y747 HydrophobicContact CG2-CE2 4.46Å |
| 678 | S | 95.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 1.4 Ų | 1.4 | 4% | 0.035 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 176.5 | 59.5 | 0 | 0 | 0 | 0 | 111.1 | C674 S681 V682 A834 | C674-S678 VanDerWaalsContact O-CB 3.23Å; C674-S678 WeakPolarHBondContact O-CB 3.48Å; C674-S678 PolarHBondContact O-N 3.05Å; C674-S678 PolarHBondContact O-OG 3.27Å; S678-S681 PolarHBondContact O-N 2.04Å; S678-V682 PolarHBondContact O-N 3.42Å; S678-A834 VanDerWaalsContact OG-CB 3.3Å; S678-A834 WeakPolarHBondContact OG-CB 3.48Å |
| 679 | A | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -60.2 | -57.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W675 A676 S681 V682 M683 L704 A723 I805 | W675-A679 WeakPolarHBondContact O-CB 3.32Å; W675-A679 PolarHBondContact O-N 2.64Å; A676-A679 PolarHBondContact O-N 2.87Å; A679-S681 PolarHBondContact O-N 2.63Å; A679-V682 PolarHBondContact O-N 3.11Å; A679-V682 VanDerWaalsContact O-N 3.12Å; A679-M683 HydrophobicContact CB-CE 4.02Å; A679-M683 WeakPolarHBondContact O-CG 3.05Å; A679-M683 PolarHBondContact O-N 3.09Å; A679-L704 HydrophobicContact CB-CD1 4.23Å; A679-A723 HydrophobicContact CB-CB 3.9Å; A679-I805 HydrophobicContact CB-CD1 3.82Å |
| 680 | A | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57.8 | -34.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | A676 M683 S684 D701 L704 | A676-A680 VanDerWaalsContact O-CB 3.3Å; A676-A680 WeakPolarHBondContact O-CB 3.42Å; A676-A680 PolarHBondContact O-N 2.89Å; A680-M683 PolarHBondContact O-N 3.13Å; A680-S684 WeakPolarHBondContact O-CB 3.05Å; A680-S684 PolarHBondContact O-N 2.87Å; A680-S684 PolarHBondContact O-OG 2.95Å; A680-D701 HydrophobicContact CB-CB 3.79Å; A680-L704 HydrophobicContact CB-CD1 4.09Å |
| 681 | S | 96.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 7.1 Ų | 7.1 | 4% | 0.035 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | V677 S678 A679 S684 D685 | V677-S681 VanDerWaalsContact O-CB 3.27Å; V677-S681 WeakPolarHBondContact O-CB 3.23Å; V677-S681 PolarHBondContact O-N 3.13Å; V677-S681 PolarHBondContact O-OG 2.91Å; S678-S681 PolarHBondContact O-N 2.04Å; A679-S681 PolarHBondContact O-N 2.63Å; S681-S684 WeakPolarHBondContact O-CB 3.43Å; S681-S684 PolarHBondContact O-N 3.19Å; S681-D685 PolarHBondContact O-N 3.01Å |
| 682 | V | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 175 | 168 | 0 | 0 | 0 | 0 | 111.6 | S678 A679 S684 D685 R686 P803 I805 R836 L876 | S678-V682 PolarHBondContact O-N 3.42Å; A679-V682 PolarHBondContact O-N 3.11Å; A679-V682 VanDerWaalsContact O-N 3.12Å; V682-S684 VanDerWaalsContact C-N 3.29Å; V682-S684 PolarHBondContact O-N 2.03Å; V682-D685 PolarHBondContact O-N 3.5Å; V682-R686 HydrophobicContact CG1-CG 4.34Å; V682-R686 WeakPolarHBondContact O-CB 3.27Å; V682-R686 WeakPolarHBondContact O-CG 3.29Å; V682-R686 PolarHBondContact O-N 3.39Å; V682-P803 WeakPolarHBondContact CG1-O 3.28Å; V682-P803 HydrophobicContact CG2-CB 4.48Å; V682-I805 HydrophobicContact CB-CD1 4.39Å; V682-I805 HydrophobicContact CB-CG1 3.75Å; V682-I805 HydrophobicContact CG1-CG1 4.07Å; V682-I805 HydrophobicContact CG2-CG1 3.56Å; V682-R836 HydrophobicContact CG2-CB 4.21Å; V682-R836 HydrophobicContact CG2-CG 3.68Å; V682-L876 HydrophobicContact CG1-CD1 4.2Å |
| 683 | M | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 175.1 | -59.3 | 169.4 | -178 | 0 | 0 | 111.4 | A679 A680 T687 L699 L704 A723 L724 W727 I732 L876 | A679-M683 HydrophobicContact CB-CE 4.02Å; A679-M683 WeakPolarHBondContact O-CG 3.05Å; A679-M683 PolarHBondContact O-N 3.09Å; A680-M683 PolarHBondContact O-N 3.13Å; M683-T687 VanDerWaalsContact O-CB 3.3Å; M683-T687 WeakPolarHBondContact O-CB 3.45Å; M683-T687 PolarHBondContact O-N 2.93Å; M683-T687 PolarHBondContact O-OG1 3.29Å; M683-L699 HydrophobicContact CB-CD1 3.53Å; M683-L704 HydrophobicContact CE-CD1 4.1Å; M683-L704 HydrophobicContact SD-CD1 4.3Å; M683-A723 WeakPolarHBondContact CE-O 3.2Å; M683-L724 HydrophobicContact CE-CD2 3.62Å; M683-W727 HydrophobicContact CB-CD2 4.14Å; M683-W727 HydrophobicContact CB-CE3 4.07Å; M683-W727 HydrophobicContact CB-CH2 3.85Å; M683-W727 HydrophobicContact CB-CZ2 3.93Å; M683-W727 HydrophobicContact CB-CZ3 3.95Å; M683-W727 HydrophobicContact CE-CB 3.58Å; M683-W727 HydrophobicContact CE-CD2 4.18Å; M683-W727 HydrophobicContact CE-CE3 4.16Å; M683-W727 HydrophobicContact CE-CG 4Å; M683-W727 HydrophobicContact CG-CD2 3.64Å; M683-W727 HydrophobicContact CG-CE3 3.4Å; M683-W727 VanDerWaalsContact CG-CE3 3.4Å; M683-W727 HydrophobicContact CG-CG 4.3Å; M683-W727 HydrophobicContact CG-CH2 4.1Å; M683-W727 HydrophobicContact CG-CZ2 4.33Å; M683-W727 HydrophobicContact CG-CZ3 3.69Å; M683-W727 HydrophobicContact SD-CB 3.94Å; M683-W727 HydrophobicContact SD-CD2 3.75Å; M683-W727 HydrophobicContact SD-CE3 4.03Å; M683-W727 HydrophobicContact SD-CG 3.74Å; M683-I732 HydrophobicContact SD-CG1 4.04Å; M683-L876 HydrophobicContact CG-CD1 4.31Å |
| 684 | S | 96.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.7 | -48.5 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | A680 S681 V682 T687 C688 L699 | A680-S684 WeakPolarHBondContact O-CB 3.05Å; A680-S684 PolarHBondContact O-N 2.87Å; A680-S684 PolarHBondContact O-OG 2.95Å; S681-S684 WeakPolarHBondContact O-CB 3.43Å; S681-S684 PolarHBondContact O-N 3.19Å; V682-S684 VanDerWaalsContact C-N 3.29Å; V682-S684 PolarHBondContact O-N 2.03Å; S684-T687 PolarHBondContact O-N 3.45Å; S684-C688 PolarHBondContact O-N 2.96Å; S684-L699 PolarHBondContact OG-N 3.48Å |
| 685 | D | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | -178.3 | -65.4 | -17.1 | 0 | 0 | 0 | 111.4 | I662 S681 V682 T687 C688 I689 P803 R836 | I662-D685 HydrophobicContact CG1-CB 4.16Å; S681-D685 PolarHBondContact O-N 3.01Å; V682-D685 PolarHBondContact O-N 3.5Å; D685-T687 VanDerWaalsContact C-N 3.31Å; D685-T687 PolarHBondContact O-N 2.95Å; D685-C688 WeakPolarHBondContact O-CB 3.01Å; D685-C688 PolarHBondContact O-N 3.48Å; D685-I689 WeakPolarHBondContact O-CB 3.43Å; D685-I689 VanDerWaalsContact O-CG1 3.3Å; D685-I689 WeakPolarHBondContact O-CG1 3.37Å; D685-I689 PolarHBondContact O-N 2.99Å; D685-P803 HydrophobicContact CB-CB 4.36Å; D685-P803 HydrophobicContact CB-CG 3.97Å; D685-R836 IonicContact OD1-NH1 3.92Å; D685-R836 PolarHBondContact OD1-NH1 2.88Å; D685-R836 WeakPolarHBondContact OD2-CD 3.45Å; D685-R836 IonicContact OD2-CZ 3.34Å; D685-R836 IonicContact OD2-NE 2.81Å; D685-R836 IonicContact OD2-NH1 3.03Å; D685-R836 PolarHBondContact OD2-NH1 2.74Å |
| 686 | R | 94.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -33.8 | 179.9 | -67.2 | -165 | 170 | -150.4 | -14.6 | 112.3 | V682 I689 L690 Q797 Y801 G802 P803 V804 L876 V878 | V682-R686 HydrophobicContact CG1-CG 4.34Å; V682-R686 WeakPolarHBondContact O-CB 3.27Å; V682-R686 WeakPolarHBondContact O-CG 3.29Å; V682-R686 PolarHBondContact O-N 3.39Å; R686-I689 PolarHBondContact O-N 3.26Å; R686-L690 VanDerWaalsContact O-CB 3.31Å; R686-L690 WeakPolarHBondContact O-CB 3.34Å; R686-L690 PolarHBondContact O-N 3.1Å; R686-Q797 PolarHBondContact NH2-O 3.49Å; R686-Y801 WeakPolarHBondContact CG-O 3.26Å; R686-G802 PolarHBondContact NH2-O 3.36Å; R686-P803 PolarHBondContact NE-O 2.99Å; R686-P803 PolarHBondContact NH2-O 2.94Å; R686-V804 VanDerWaalsContact NH2-CG1 3.29Å; R686-L876 VanDerWaalsContact NH1-N 3.19Å; R686-L876 PolarHBondContact NH1-O 2.94Å; R686-V878 HydrophobicContact CB-CG2 3.89Å |
| 687 | T | 94.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 172.3 | -60 | 0 | 0 | 0 | 0 | 111.3 | M683 S684 D685 T691 T695 V880 | M683-T687 VanDerWaalsContact O-CB 3.3Å; M683-T687 WeakPolarHBondContact O-CB 3.45Å; M683-T687 PolarHBondContact O-N 2.93Å; M683-T687 PolarHBondContact O-OG1 3.29Å; S684-T687 PolarHBondContact O-N 3.45Å; D685-T687 VanDerWaalsContact C-N 3.31Å; D685-T687 PolarHBondContact O-N 2.95Å; T687-T691 WeakPolarHBondContact O-CB 3.41Å; T687-T691 VanDerWaalsContact O-CG2 3.28Å; T687-T691 WeakPolarHBondContact O-CG2 3.19Å; T687-T691 PolarHBondContact O-N 3.28Å; T687-T691 VanDerWaalsContact O-N 3.15Å; T687-T691 PolarHBondContact O-OG1 3.31Å; T687-T695 HydrophobicContact CG2-CG2 3.82Å; T687-V880 HydrophobicContact CG2-CG2 4.03Å |
| 688 | C | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -48.2 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | C658 L661 S684 D685 L690 T691 N692 G693 T695 | C658-C688 WeakPolarHBondContact CA-SG 3.31Å; C658-C688 HydrophobicContact CB-CB 3.95Å; C658-C688 WeakPolarHBondContact CB-SG 3.26Å; C658-C688 WeakPolarHBondContact SG-CB 3.13Å; C658-C688 PolarHBondContact SG-O 3.07Å; C658-C688 VanDerWaalsContact SG-O 3.33Å; C658-C688 CovalentContact SG-SG 2.04Å; C658-C688 PolarHBondContact SG-SG 3.35Å; L661-C688 HydrophobicContact CD2-CB 3.8Å; S684-C688 PolarHBondContact O-N 2.96Å; D685-C688 WeakPolarHBondContact O-CB 3.01Å; D685-C688 PolarHBondContact O-N 3.48Å; C688-L690 PolarHBondContact O-N 3.37Å; C688-T691 CarbonylContact O-C 3.43Å; C688-T691 PolarHBondContact O-N 3.46Å; C688-T691 PolarHBondContact O-OG1 2.97Å; C688-N692 PolarHBondContact O-N 2.01Å; C688-G693 PolarHBondContact O-N 2.97Å; C688-T695 WeakPolarHBondContact CA-O 3.12Å |
| 689 | I | 96.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 10% | 0.103 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | -177.8 | -73.3 | 169.8 | 0 | 0 | 0 | 110.7 | W655 C658 I662 D685 R686 T691 N692 | W655-I689 HydrophobicContact CB-CG1 4.11Å; W655-I689 HydrophobicContact CD2-CD1 3.81Å; W655-I689 HydrophobicContact CD2-CG1 3.93Å; W655-I689 HydrophobicContact CD2-CG2 4.22Å; W655-I689 HydrophobicContact CE3-CD1 3.8Å; W655-I689 HydrophobicContact CE3-CG1 4.38Å; W655-I689 HydrophobicContact CG-CD1 4.2Å; W655-I689 HydrophobicContact CG-CG1 3.78Å; W655-I689 HydrophobicContact CG-CG2 4.24Å; W655-I689 HydrophobicContact CZ2-CG2 4.32Å; W655-I689 HydrophobicContact CZ3-CD1 4.27Å; C658-I689 HydrophobicContact CB-CG1 4.41Å; C658-I689 PolarHBondContact SG-N 3.39Å; C658-I689 VanDerWaalsContact SG-N 3.43Å; I662-I689 HydrophobicContact CD1-CD1 4.32Å; D685-I689 WeakPolarHBondContact O-CB 3.43Å; D685-I689 VanDerWaalsContact O-CG1 3.3Å; D685-I689 WeakPolarHBondContact O-CG1 3.37Å; D685-I689 PolarHBondContact O-N 2.99Å; R686-I689 PolarHBondContact O-N 3.26Å; I689-T691 VanDerWaalsContact C-N 3.3Å; I689-T691 PolarHBondContact O-N 3.26Å; I689-N692 PolarHBondContact O-N 3.03Å; I689-N692 VanDerWaalsContact O-N 3.09Å |
| 690 | L | 92.6 | Very high | 94.5 | Very high | 82 Ų | 82 | 32.1 Ų | 32.1 | 43% | 0.429 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.9 | -43 | 177.9 | -179.4 | 81.1 | 0 | 0 | 0 | 112 | R686 C688 N692 V878 V880 | R686-L690 VanDerWaalsContact O-CB 3.31Å; R686-L690 WeakPolarHBondContact O-CB 3.34Å; R686-L690 PolarHBondContact O-N 3.1Å; C688-L690 PolarHBondContact O-N 3.37Å; L690-N692 PolarHBondContact O-N 3.4Å; L690-V878 WeakPolarHBondContact CD1-O 3.39Å; L690-V878 HydrophobicContact CD2-CB 3.96Å; L690-V878 HydrophobicContact CD2-CG1 3.81Å; L690-V878 WeakPolarHBondContact CD2-O 3.44Å; L690-V878 WeakPolarHBondContact CG-O 2.98Å; L690-V880 HydrophobicContact CD2-CB 4.47Å; L690-V880 HydrophobicContact CD2-CG2 3.92Å |
| 691 | T | 93.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 6.6 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 113 | T687 C688 I689 G693 K694 T695 V880 | T687-T691 WeakPolarHBondContact O-CB 3.41Å; T687-T691 VanDerWaalsContact O-CG2 3.28Å; T687-T691 WeakPolarHBondContact O-CG2 3.19Å; T687-T691 PolarHBondContact O-N 3.28Å; T687-T691 VanDerWaalsContact O-N 3.15Å; T687-T691 PolarHBondContact O-OG1 3.31Å; C688-T691 CarbonylContact O-C 3.43Å; C688-T691 PolarHBondContact O-N 3.46Å; C688-T691 PolarHBondContact O-OG1 2.97Å; I689-T691 VanDerWaalsContact C-N 3.3Å; I689-T691 PolarHBondContact O-N 3.26Å; T691-G693 PolarHBondContact O-N 2.98Å; T691-K694 WeakPolarHBondContact O-CB 3.47Å; T691-K694 VanDerWaalsContact O-CG 3.31Å; T691-K694 WeakPolarHBondContact O-CG 3.34Å; T691-K694 PolarHBondContact O-N 2.83Å; T691-T695 PolarHBondContact OG1-N 2.96Å; T691-V880 HydrophobicContact CG2-CB 4.41Å; T691-V880 HydrophobicContact CG2-CG2 3.92Å |
| 692 | N | 93.8 | Very high | 94.6 | Very high | 111 Ų | 111 | 33 Ų | 33 | 59% | 0.594 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 43.8 | -174.8 | -167.8 | 22.2 | 0 | 0 | 0 | 112.6 | N657 C688 I689 L690 K694 | N657-N692 PolarHBondContact ND2-OD1 3.42Å; N657-N692 VanDerWaalsContact ND2-OD1 3.11Å; C688-N692 PolarHBondContact O-N 2.01Å; I689-N692 PolarHBondContact O-N 3.03Å; I689-N692 VanDerWaalsContact O-N 3.09Å; L690-N692 PolarHBondContact O-N 3.4Å; N692-K694 PolarHBondContact O-N 3.44Å |
| 693 | G | 92.9 | Very high | 94.6 | Very high | 21 Ų | 21 | 33 Ų | 33 | 22% | 0.216 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -9.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | C688 T691 T695 | C688-G693 PolarHBondContact O-N 2.97Å; T691-G693 PolarHBondContact O-N 2.98Å; G693-T695 PolarHBondContact O-N 3.28Å |
| 694 | K | 90.2 | Very high | 94.7 | Very high | 191 Ų | 191 | 33 Ų | 33 | 83% | 0.83 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -32 | 179.3 | -65.9 | 176.5 | -179.9 | -179 | 0 | 112.6 | T691 N692 | T691-K694 WeakPolarHBondContact O-CB 3.47Å; T691-K694 VanDerWaalsContact O-CG 3.31Å; T691-K694 WeakPolarHBondContact O-CG 3.34Å; T691-K694 PolarHBondContact O-N 2.83Å; N692-K694 PolarHBondContact O-N 3.44Å |
| 695 | T | 89.4 | Confident | 94.7 | Very high | 33 Ų | 33 | 33.1 Ų | 33.1 | 20% | 0.202 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 77.1 | 174.4 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | T687 C688 T691 G693 K697 | T687-T695 HydrophobicContact CG2-CG2 3.82Å; C688-T695 WeakPolarHBondContact CA-O 3.12Å; T691-T695 PolarHBondContact OG1-N 2.96Å; G693-T695 PolarHBondContact O-N 3.28Å; T695-K697 PolarHBondContact O-N 3.3Å |
| 696 | A | 90.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 34 Ų | 34 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | trans | -95.4 | 56.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 697 | K | 91.9 | Very high | 94.8 | Very high | 96 Ų | 96 | 34.4 Ų | 34.4 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | trans | -112.6 | 150.8 | 178.9 | -67.6 | -172.3 | 178.3 | -176.4 | 0 | 111.3 | T695 T734 Y770 | T695-K697 PolarHBondContact O-N 3.3Å; K697-T734 HydrophobicContact CB-CG2 4.25Å; K697-T734 HydrophobicContact CD-CG2 3.81Å; K697-Y770 PolarHBondContact NZ-OH 3.41Å | ||
| 698 | F | 96 | Very high | 94.8 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 11% | 0.114 | 19% | 0.186 | C | C | . | . | trans | -69.7 | 135.8 | 167.8 | -72.8 | -63.7 | 0 | 0 | 0 | 110.5 | L661 I664 T734 G735 L737 | L661-F698 HydrophobicContact CD1-CD1 3.81Å; L661-F698 HydrophobicContact CD1-CD2 4.44Å; L661-F698 HydrophobicContact CD1-CE1 3.57Å; L661-F698 HydrophobicContact CD1-CE2 4.23Å; L661-F698 HydrophobicContact CD1-CG 4.25Å; L661-F698 HydrophobicContact CD1-CZ 3.8Å; I664-F698 HydrophobicContact CB-CZ 4.04Å; I664-F698 HydrophobicContact CD1-CE2 3.98Å; I664-F698 HydrophobicContact CD1-CZ 3.5Å; I664-F698 HydrophobicContact CG1-CZ 4.35Å; I664-F698 HydrophobicContact CG2-CE1 4.48Å; I664-F698 HydrophobicContact CG2-CZ 3.81Å; F698-T734 CarbonylContact O-C 3.43Å; F698-T734 WeakPolarHBondContact O-CA 3.15Å; F698-G735 PolarHBondContact O-N 2.89Å; F698-L737 HydrophobicContact CE2-CG 4.33Å | ||
| 699 | L | 97 | Very high | 94.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 148 | 159.7 | -65.1 | 179.5 | 0 | 0 | 0 | 109.6 | M683 S684 D701 W727 I732 H779 | M683-L699 HydrophobicContact CB-CD1 3.53Å; S684-L699 PolarHBondContact OG-N 3.48Å; L699-D701 PolarHBondContact O-N 2.93Å; L699-W727 HydrophobicContact CD1-CZ2 3.94Å; L699-I732 HydrophobicContact CB-CG2 3.83Å; L699-H779 HydrophobicContact CD2-CB 3.91Å |
| 700 | S | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -79.4 | 106.9 | -167.7 | -175.5 | 0 | 0 | 0 | 0 | 113.3 | E702 D703 L704 P733 K745 | S700-E702 VanDerWaalsContact C-N 3.26Å; S700-E702 WeakPolarHBondContact OG-CB 3.33Å; S700-E702 PolarHBondContact OG-N 3.38Å; S700-D703 PolarHBondContact O-N 2.9Å; S700-D703 PolarHBondContact OG-N 2.84Å; S700-L704 PolarHBondContact O-N 3.26Å; S700-P733 VanDerWaalsContact CB-O 3.26Å; S700-P733 WeakPolarHBondContact CB-O 3.05Å; S700-P733 PolarHBondContact N-O 3.34Å; S700-K745 WeakPolarHBondContact CB-O 3.34Å; S700-K745 WeakPolarHBondContact OG-CB 3.03Å; S700-K745 PolarHBondContact OG-O 3.44Å | ||
| 701 | D | 97 | Very high | 93.6 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -30.6 | 163 | 39.6 | -108.9 | 0 | 0 | 0 | 112.2 | K666 V677 A680 L699 L704 L705 Y747 | K666-D701 IonicContact NZ-OD1 3.8Å; K666-D701 PolarHBondContact NZ-OD1 2.9Å; V677-D701 HydrophobicContact CG2-CB 4.23Å; A680-D701 HydrophobicContact CB-CB 3.79Å; L699-D701 PolarHBondContact O-N 2.93Å; D701-L704 PolarHBondContact O-N 3.32Å; D701-L705 WeakPolarHBondContact O-CB 3.2Å; D701-L705 PolarHBondContact O-N 3.01Å; D701-Y747 WeakPolarHBondContact OD2-CB 3.3Å; D701-Y747 WeakPolarHBondContact OD2-CD2 3.12Å |
| 702 | E | 97.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 173 | -175.4 | 73.7 | -160 | 0 | 0 | 112.7 | S700 L705 S706 K745 S748 P760 | S700-E702 VanDerWaalsContact C-N 3.26Å; S700-E702 WeakPolarHBondContact OG-CB 3.33Å; S700-E702 PolarHBondContact OG-N 3.38Å; E702-L705 PolarHBondContact O-N 3.34Å; E702-S706 VanDerWaalsContact O-CB 3.3Å; E702-S706 WeakPolarHBondContact O-CB 3.01Å; E702-S706 PolarHBondContact O-N 3.27Å; E702-S706 PolarHBondContact O-OG 3.25Å; E702-K745 HydrophobicContact CB-CB 4.35Å; E702-K745 HydrophobicContact CG-CB 4.48Å; E702-S748 VanDerWaalsContact CD-OG 3.3Å; E702-S748 PolarHBondContact OE1-OG 3.35Å; E702-S748 VanDerWaalsContact OE1-OG 3.08Å; E702-S748 WeakPolarHBondContact OE2-CB 3.38Å; E702-S748 PolarHBondContact OE2-N 3.02Å; E702-S748 PolarHBondContact OE2-OG 3.43Å; E702-P760 WeakPolarHBondContact OE1-CB 3.42Å; E702-P760 WeakPolarHBondContact OE1-CG 3.39Å |
| 703 | D | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | 177.1 | -165.1 | 71 | 0 | 0 | 0 | 111.3 | S700 L705 C707 P733 K745 R778 | S700-D703 PolarHBondContact O-N 2.9Å; S700-D703 PolarHBondContact OG-N 2.84Å; D703-L705 PolarHBondContact O-N 3.26Å; D703-C707 WeakPolarHBondContact O-CA 3.43Å; D703-C707 VanDerWaalsContact O-CB 3.25Å; D703-C707 WeakPolarHBondContact O-CB 3.22Å; D703-C707 PolarHBondContact O-N 2.89Å; D703-P733 HydrophobicContact CB-CG 3.78Å; D703-P733 VanDerWaalsContact CG-CD 3.44Å; D703-P733 WeakPolarHBondContact OD2-CD 3.49Å; D703-K745 HydrophobicContact CB-CD 3.94Å; D703-K745 IonicContact OD1-NZ 3.98Å; D703-K745 PolarHBondContact OD1-NZ 2.95Å; D703-R778 IonicContact OD1-NH1 3.11Å; D703-R778 IonicContact OD1-NH2 3.11Å; D703-R778 PolarHBondContact OD1-NH2 3.49Å; D703-R778 IonicContact OD2-CZ 2.66Å; D703-R778 IonicContact OD2-NH1 3.86Å; D703-R778 PolarHBondContact OD2-NH1 3.48Å; D703-R778 IonicContact OD2-NH2 3.99Å |
| 704 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 172.6 | -79.2 | 174 | 0 | 0 | 0 | 111.1 | W675 A676 A679 A680 M683 S700 D701 S706 C708 A723 Y726 I732 | W675-L704 HydrophobicContact CZ3-CB 4.44Å; A676-L704 HydrophobicContact CB-CB 3.93Å; A679-L704 HydrophobicContact CB-CD1 4.23Å; A680-L704 HydrophobicContact CB-CD1 4.09Å; M683-L704 HydrophobicContact CE-CD1 4.1Å; M683-L704 HydrophobicContact SD-CD1 4.3Å; S700-L704 PolarHBondContact O-N 3.26Å; D701-L704 PolarHBondContact O-N 3.32Å; L704-S706 PolarHBondContact O-N 3.01Å; L704-C708 VanDerWaalsContact O-CB 3.29Å; L704-C708 WeakPolarHBondContact O-CB 3.29Å; L704-C708 PolarHBondContact O-N 3.09Å; L704-A723 HydrophobicContact CD1-CB 4.09Å; L704-A723 HydrophobicContact CD2-CB 3.7Å; L704-A723 HydrophobicContact CG-CB 4.49Å; L704-Y726 HydrophobicContact CD2-CD1 3.96Å; L704-I732 HydrophobicContact CD2-CD1 3.57Å; L704-I732 HydrophobicContact CD2-CG1 4.44Å; L704-I732 HydrophobicContact CG-CD1 3.71Å; L704-I732 HydrophobicContact CG-CG1 4.45Å |
| 705 | L | 96 | Very high | 93 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | -176 | -177.7 | 70 | 0 | 0 | 0 | 112.9 | W675 A676 D701 E702 D703 Y747 F749 P760 | W675-L705 HydrophobicContact CZ2-CD1 4.16Å; A676-L705 HydrophobicContact CB-CB 4.48Å; D701-L705 WeakPolarHBondContact O-CB 3.2Å; D701-L705 PolarHBondContact O-N 3.01Å; E702-L705 PolarHBondContact O-N 3.34Å; D703-L705 PolarHBondContact O-N 3.26Å; L705-Y747 HydrophobicContact CD2-CE2 4.2Å; L705-F749 HydrophobicContact CD2-CE2 3.7Å; L705-P760 HydrophobicContact CD2-CG 4.46Å |
| 706 | S | 96.2 | Very high | 93 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -93.7 | -33.2 | -171.3 | 61.3 | 0 | 0 | 0 | 0 | 113.6 | E702 L704 P760 C762 | E702-S706 VanDerWaalsContact O-CB 3.3Å; E702-S706 WeakPolarHBondContact O-CB 3.01Å; E702-S706 PolarHBondContact O-N 3.27Å; E702-S706 PolarHBondContact O-OG 3.25Å; L704-S706 PolarHBondContact O-N 3.01Å; S706-P760 VanDerWaalsContact CB-O 3.3Å; S706-P760 WeakPolarHBondContact CB-O 3.18Å; S706-C762 VanDerWaalsContact O-CB 3.31Å; S706-C762 WeakPolarHBondContact O-CB 3.27Å |
| 707 | C | 96.5 | Very high | 93 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -110.7 | -20 | -168.7 | -65.6 | 0 | 0 | 0 | 0 | 115.2 | D703 K709 K745 C762 | D703-C707 WeakPolarHBondContact O-CA 3.43Å; D703-C707 VanDerWaalsContact O-CB 3.25Å; D703-C707 WeakPolarHBondContact O-CB 3.22Å; D703-C707 PolarHBondContact O-N 2.89Å; C707-K709 PolarHBondContact O-N 2.89Å; C707-K709 VanDerWaalsContact O-N 3.1Å; C707-K745 PolarHBondContact SG-NZ 3.04Å; C707-K745 VanDerWaalsContact SG-NZ 3.44Å; C707-C762 VanDerWaalsContact CA-SG 3.52Å; C707-C762 HydrophobicContact CB-CB 3.95Å; C707-C762 WeakPolarHBondContact CB-SG 3.17Å; C707-C762 WeakPolarHBondContact SG-CA 3.47Å; C707-C762 WeakPolarHBondContact SG-CB 3.37Å; C707-C762 CovalentContact SG-SG 2.04Å; C707-C762 PolarHBondContact SG-SG 3.09Å |
| 708 | C | 94.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.054 | 16% | 0.16 | C | C | . | . | trans | -82.6 | 90.1 | 179.6 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | L704 N710 C711 Y726 | L704-C708 VanDerWaalsContact O-CB 3.29Å; L704-C708 WeakPolarHBondContact O-CB 3.29Å; L704-C708 PolarHBondContact O-N 3.09Å; C708-N710 VanDerWaalsContact C-N 3.26Å; C708-N710 PolarHBondContact O-N 2.89Å; C708-C711 HydrophobicContact CB-CB 3.64Å; C708-C711 WeakPolarHBondContact CB-SG 3.45Å; C708-C711 PolarHBondContact O-N 3.3Å; C708-C711 VanDerWaalsContact O-N 3.16Å; C708-C711 WeakPolarHBondContact SG-CB 3.48Å; C708-C711 PolarHBondContact SG-N 3.41Å; C708-C711 CovalentContact SG-SG 2.01Å; C708-C711 PolarHBondContact SG-SG 2.92Å; C708-Y726 HydrophobicContact CB-CD1 4.25Å; C708-Y726 HydrophobicContact CB-CD2 3.8Å; C708-Y726 HydrophobicContact CB-CE1 4.46Å; C708-Y726 HydrophobicContact CB-CE2 4.04Å; C708-Y726 HydrophobicContact CB-CG 3.9Å; C708-Y726 VanDerWaalsContact SG-CB 3.59Å; C708-Y726 WeakPolarHBondContact SG-CD2 3.06Å; C708-Y726 VanDerWaalsContact SG-CG 3.6Å | ||
| 709 | K | 87.5 | Confident | 92.2 | Very high | 189 Ų | 189 | 29.9 Ų | 29.9 | 82% | 0.822 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.1 | -179.6 | -62.1 | -174.9 | -179.6 | -178.8 | 0 | 114.2 | C707 | C707-K709 PolarHBondContact O-N 2.89Å; C707-K709 VanDerWaalsContact O-N 3.1Å |
| 710 | N | 85.5 | Confident | 91.8 | Very high | 120 Ų | 120 | 29.7 Ų | 29.7 | 64% | 0.642 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -4.9 | -179.7 | -60.3 | -1 | 0 | 0 | 0 | 112.5 | C708 M722 | C708-N710 VanDerWaalsContact C-N 3.26Å; C708-N710 PolarHBondContact O-N 2.89Å; N710-M722 HydrophobicContact CB-CE 3.72Å; N710-M722 WeakPolarHBondContact O-CB 3.48Å; N710-M722 VanDerWaalsContact O-CE 3.28Å; N710-M722 WeakPolarHBondContact O-CE 3.48Å; N710-M722 WeakPolarHBondContact O-CG 3.26Å |
| 711 | C | 87.2 | Confident | 91.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -25.6 | 179.1 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | W675 C708 G718 N719 M722 A723 | W675-C711 HydrophobicContact CE3-CB 4.17Å; W675-C711 HydrophobicContact CH2-CB 3.57Å; W675-C711 HydrophobicContact CZ3-CB 3.3Å; C708-C711 HydrophobicContact CB-CB 3.64Å; C708-C711 WeakPolarHBondContact CB-SG 3.45Å; C708-C711 PolarHBondContact O-N 3.3Å; C708-C711 VanDerWaalsContact O-N 3.16Å; C708-C711 WeakPolarHBondContact SG-CB 3.48Å; C708-C711 PolarHBondContact SG-N 3.41Å; C708-C711 CovalentContact SG-SG 2.01Å; C708-C711 PolarHBondContact SG-SG 2.92Å; C711-G718 CarbonylContact O-C 3.59Å; C711-G718 WeakPolarHBondContact O-CA 3.49Å; C711-N719 PolarHBondContact O-N 3.31Å; C711-M722 HydrophobicContact CB-CB 4.21Å; C711-M722 PolarHBondContact SG-O 2.98Å; C711-M722 VanDerWaalsContact SG-O 3.38Å; C711-A723 WeakPolarHBondContact SG-CA 3.26Å; C711-A723 PolarHBondContact SG-N 3.46Å; C711-A723 VanDerWaalsContact SG-N 3.39Å |
| 712 | G | 85 | Confident | 90.6 | Very high | 10 Ų | 10 | 32.8 Ų | 32.8 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | 145.1 | -161.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G714 G717 | G712-G714 PolarHBondContact O-N 3.01Å; G712-G717 CarbonylContact C-O 3.46Å |
| 713 | N | 88.5 | Confident | 90.3 | Very high | 107 Ų | 107 | 31.9 Ų | 31.9 | 57% | 0.572 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -98.7 | 35.6 | -172.6 | -67.5 | -44.7 | 0 | 0 | 0 | 112.8 | C715 N716 G717 T759 | N713-C715 PolarHBondContact O-N 2.8Å; N713-N716 HydrophobicContact CB-CB 4Å; N713-N716 PolarHBondContact O-N 2.64Å; N713-N716 VanDerWaalsContact O-N 3.13Å; N713-G717 PolarHBondContact N-O 2.93Å; N713-T759 PolarHBondContact O-OG1 3.11Å |
| 714 | G | 91.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | 62.1 | -119.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | W675 G712 N716 G717 | W675-G714 PolarHBondContact NE1-O 2.8Å; G712-G714 PolarHBondContact O-N 3.01Å; G714-N716 PolarHBondContact O-N 3.15Å; G714-G717 PolarHBondContact O-N 3.04Å; G714-G717 VanDerWaalsContact O-N 3.13Å |
| 715 | C | 92.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -67.3 | -11.5 | 177.7 | -72.3 | 0 | 0 | 0 | 0 | 114.5 | C671 G672 N713 G717 T759 | C671-C715 HydrophobicContact CB-CB 4.04Å; C671-C715 WeakPolarHBondContact CB-SG 3.3Å; C671-C715 WeakPolarHBondContact SG-CA 3.5Å; C671-C715 WeakPolarHBondContact SG-CB 3.23Å; C671-C715 CovalentContact SG-SG 2.04Å; C671-C715 PolarHBondContact SG-SG 3.14Å; G672-C715 VanDerWaalsContact CA-O 3.29Å; G672-C715 WeakPolarHBondContact CA-O 3.4Å; G672-C715 PolarHBondContact N-O 3.15Å; N713-C715 PolarHBondContact O-N 2.8Å; C715-G717 VanDerWaalsContact C-N 3.29Å; C715-T759 PolarHBondContact N-OG1 3.48Å |
| 716 | N | 89.7 | Confident | 89.2 | Confident | 114 Ų | 114 | 34.7 Ų | 34.7 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -91.9 | 8.6 | 174.2 | -60.7 | -45.9 | 0 | 0 | 0 | 112.7 | N713 G714 | N713-N716 HydrophobicContact CB-CB 4Å; N713-N716 PolarHBondContact O-N 2.64Å; N713-N716 VanDerWaalsContact O-N 3.13Å; G714-N716 PolarHBondContact O-N 3.15Å |
| 717 | G | 89.9 | Confident | 89.1 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | 109.5 | 164.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | G621 G712 N713 G714 C715 | G621-G717 CarbonylContact O-C 3.56Å; G621-G717 WeakPolarHBondContact O-CA 3.25Å; G712-G717 CarbonylContact C-O 3.46Å; N713-G717 PolarHBondContact N-O 2.93Å; G714-G717 PolarHBondContact O-N 3.04Å; G714-G717 VanDerWaalsContact O-N 3.13Å; C715-G717 VanDerWaalsContact C-N 3.29Å | ||
| 718 | G | 86.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -175.3 | -172.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G621 V622 S623 C711 | G621-G718 PolarHBondContact O-N 2.61Å; V622-G718 WeakPolarHBondContact CA-O 3.46Å; S623-G718 PolarHBondContact N-O 2.85Å; C711-G718 CarbonylContact O-C 3.59Å; C711-G718 WeakPolarHBondContact O-CA 3.49Å |
| 719 | N | 85.3 | Confident | 88.5 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | trans | -122.2 | 123.4 | -170.2 | -171.2 | -54 | 0 | 0 | 0 | 110.9 | C711 F721 M722 A723 | C711-N719 PolarHBondContact O-N 3.31Å; N719-F721 VanDerWaalsContact C-N 3.28Å; N719-F721 PolarHBondContact O-N 3.31Å; N719-F721 WeakPolarHBondContact OD1-CA 3.49Å; N719-F721 WeakPolarHBondContact OD1-CB 3.45Å; N719-F721 PolarHBondContact OD1-N 2.74Å; N719-M722 HydrophobicContact CB-CB 4.36Å; N719-M722 HydrophobicContact CB-CG 4.15Å; N719-M722 PolarHBondContact O-N 3.33Å; N719-A723 PolarHBondContact O-N 3.16Å | ||
| 720 | P | 87.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -34.7 | 178 | -23.4 | 32.3 | 0 | 0 | 0 | 114.3 | W675 A723 L724 I805 I807 A834 | W675-P720 HydrophobicContact CB-CG 3.9Å; P720-A723 VanDerWaalsContact O-CB 3.3Å; P720-A723 WeakPolarHBondContact O-CB 3.17Å; P720-A723 PolarHBondContact O-N 2.82Å; P720-L724 WeakPolarHBondContact O-CG 3.47Å; P720-L724 PolarHBondContact O-N 2.95Å; P720-I805 HydrophobicContact CB-CD1 4.42Å; P720-I805 HydrophobicContact CB-CG2 3.97Å; P720-I805 HydrophobicContact CG-CG2 4.33Å; P720-I807 HydrophobicContact CG-CD1 3.92Å; P720-I807 HydrophobicContact CG-CG1 4.09Å; P720-A834 HydrophobicContact CG-CB 3.83Å |
| 721 | F | 84.1 | Confident | 89.1 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 179 | 175.3 | -105.1 | 0 | 0 | 0 | 111.5 | M634 N719 A723 L724 L725 V784 | M634-F721 HydrophobicContact CG-CE2 3.97Å; M634-F721 HydrophobicContact CG-CZ 4.36Å; M634-F721 HydrophobicContact SD-CD2 4.01Å; M634-F721 HydrophobicContact SD-CE2 3.84Å; M634-F721 HydrophobicContact SD-CZ 4.5Å; N719-F721 VanDerWaalsContact C-N 3.28Å; N719-F721 PolarHBondContact O-N 3.31Å; N719-F721 WeakPolarHBondContact OD1-CA 3.49Å; N719-F721 WeakPolarHBondContact OD1-CB 3.45Å; N719-F721 PolarHBondContact OD1-N 2.74Å; F721-A723 PolarHBondContact O-N 3.31Å; F721-L724 WeakPolarHBondContact O-CA 3.42Å; F721-L724 WeakPolarHBondContact O-CB 3.13Å; F721-L724 PolarHBondContact O-N 2.68Å; F721-L725 HydrophobicContact CD1-CD1 3.98Å; F721-L725 HydrophobicContact CD1-CG 4.37Å; F721-L725 HydrophobicContact CE1-CD1 3.38Å; F721-L725 HydrophobicContact CE1-CG 3.94Å; F721-L725 HydrophobicContact CE2-CG 4.47Å; F721-L725 HydrophobicContact CZ-CD1 3.8Å; F721-L725 HydrophobicContact CZ-CD2 4.16Å; F721-L725 HydrophobicContact CZ-CG 3.98Å; F721-L725 PolarHBondContact O-N 2.91Å; F721-V784 HydrophobicContact CD2-CG1 4.48Å; F721-V784 HydrophobicContact CE2-CG1 4.22Å |
| 722 | M | 86.1 | Confident | 89.6 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 20% | 0.202 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.9 | -32.8 | 175.3 | -65.2 | -55.3 | -71.5 | 0 | 0 | 111.8 | N710 C711 N719 L725 Y726 | N710-M722 HydrophobicContact CB-CE 3.72Å; N710-M722 WeakPolarHBondContact O-CB 3.48Å; N710-M722 VanDerWaalsContact O-CE 3.28Å; N710-M722 WeakPolarHBondContact O-CE 3.48Å; N710-M722 WeakPolarHBondContact O-CG 3.26Å; C711-M722 HydrophobicContact CB-CB 4.21Å; C711-M722 PolarHBondContact SG-O 2.98Å; C711-M722 VanDerWaalsContact SG-O 3.38Å; N719-M722 HydrophobicContact CB-CB 4.36Å; N719-M722 HydrophobicContact CB-CG 4.15Å; N719-M722 PolarHBondContact O-N 3.33Å; M722-L725 PolarHBondContact O-N 3.23Å; M722-L725 HydrophobicContact SD-CD1 3.89Å; M722-Y726 WeakPolarHBondContact O-CB 3.45Å; M722-Y726 PolarHBondContact O-N 3.43Å |
| 723 | A | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W675 A679 M683 L704 C711 N719 P720 F721 Y726 W727 | W675-A723 HydrophobicContact CE3-CB 4.14Å; W675-A723 HydrophobicContact CZ3-CB 4.14Å; A679-A723 HydrophobicContact CB-CB 3.9Å; M683-A723 WeakPolarHBondContact CE-O 3.2Å; L704-A723 HydrophobicContact CD1-CB 4.09Å; L704-A723 HydrophobicContact CD2-CB 3.7Å; L704-A723 HydrophobicContact CG-CB 4.49Å; C711-A723 WeakPolarHBondContact SG-CA 3.26Å; C711-A723 PolarHBondContact SG-N 3.46Å; C711-A723 VanDerWaalsContact SG-N 3.39Å; N719-A723 PolarHBondContact O-N 3.16Å; P720-A723 VanDerWaalsContact O-CB 3.3Å; P720-A723 WeakPolarHBondContact O-CB 3.17Å; P720-A723 PolarHBondContact O-N 2.82Å; F721-A723 PolarHBondContact O-N 3.31Å; A723-Y726 PolarHBondContact O-N 3.23Å; A723-W727 PolarHBondContact O-N 3.43Å |
| 724 | L | 88.6 | Confident | 90.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 173.6 | -60.8 | -174.3 | 0 | 0 | 0 | 112.1 | M683 P720 F721 Y726 W727 K728 V784 I805 C874 L876 | M683-L724 HydrophobicContact CE-CD2 3.62Å; P720-L724 WeakPolarHBondContact O-CG 3.47Å; P720-L724 PolarHBondContact O-N 2.95Å; F721-L724 WeakPolarHBondContact O-CA 3.42Å; F721-L724 WeakPolarHBondContact O-CB 3.13Å; F721-L724 PolarHBondContact O-N 2.68Å; L724-Y726 VanDerWaalsContact C-N 3.33Å; L724-Y726 PolarHBondContact O-N 2.97Å; L724-W727 WeakPolarHBondContact O-CB 3.47Å; L724-W727 PolarHBondContact O-N 3.1Å; L724-W727 VanDerWaalsContact O-N 3.12Å; L724-K728 PolarHBondContact O-N 2.9Å; L724-V784 HydrophobicContact CB-CB 4.4Å; L724-V784 HydrophobicContact CB-CG1 3.41Å; L724-V784 VanDerWaalsContact CB-CG1 3.41Å; L724-V784 HydrophobicContact CB-CG2 4.07Å; L724-V784 HydrophobicContact CD1-CG1 3.98Å; L724-V784 HydrophobicContact CG-CG1 4.35Å; L724-V784 WeakPolarHBondContact O-CG2 3.33Å; L724-I805 HydrophobicContact CD1-CD1 4.17Å; L724-I805 HydrophobicContact CD2-CD1 3.68Å; L724-I805 HydrophobicContact CG-CD1 4.1Å; L724-C874 HydrophobicContact CD1-CB 3.83Å; L724-L876 HydrophobicContact CB-CD2 4.38Å; L724-L876 HydrophobicContact CD1-CD1 4.42Å; L724-L876 HydrophobicContact CD1-CD2 4.46Å; L724-L876 HydrophobicContact CD1-CG 4.22Å; L724-L876 HydrophobicContact CD2-CD1 3.39Å; L724-L876 HydrophobicContact CD2-CD2 4.06Å; L724-L876 HydrophobicContact CD2-CG 3.92Å; L724-L876 HydrophobicContact CG-CD1 4.47Å |
| 725 | L | 86.8 | Confident | 90.8 | Very high | 25 Ų | 25 | 23.9 Ų | 23.9 | 13% | 0.131 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.9 | -41 | 175.4 | -72.5 | -178.3 | 0 | 0 | 0 | 112.1 | F721 M722 W727 K728 N729 V784 | F721-L725 HydrophobicContact CD1-CD1 3.98Å; F721-L725 HydrophobicContact CD1-CG 4.37Å; F721-L725 HydrophobicContact CE1-CD1 3.38Å; F721-L725 HydrophobicContact CE1-CG 3.94Å; F721-L725 HydrophobicContact CE2-CG 4.47Å; F721-L725 HydrophobicContact CZ-CD1 3.8Å; F721-L725 HydrophobicContact CZ-CD2 4.16Å; F721-L725 HydrophobicContact CZ-CG 3.98Å; F721-L725 PolarHBondContact O-N 2.91Å; M722-L725 PolarHBondContact O-N 3.23Å; M722-L725 HydrophobicContact SD-CD1 3.89Å; L725-W727 VanDerWaalsContact C-N 3.27Å; L725-W727 PolarHBondContact O-N 3.37Å; L725-K728 PolarHBondContact O-N 2.94Å; L725-N729 WeakPolarHBondContact O-CB 3.29Å; L725-N729 PolarHBondContact O-N 3.35Å; L725-N729 PolarHBondContact O-ND2 3.49Å; L725-V784 HydrophobicContact CD2-CG1 4.33Å |
| 726 | Y | 91.7 | Very high | 90.9 | Very high | 39 Ų | 39 | 23.7 Ų | 23.7 | 15% | 0.153 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 173.9 | -174 | -92.2 | 0 | 0 | 0 | 111.7 | L704 C708 M722 A723 L724 T730 G731 I732 | L704-Y726 HydrophobicContact CD2-CD1 3.96Å; C708-Y726 HydrophobicContact CB-CD1 4.25Å; C708-Y726 HydrophobicContact CB-CD2 3.8Å; C708-Y726 HydrophobicContact CB-CE1 4.46Å; C708-Y726 HydrophobicContact CB-CE2 4.04Å; C708-Y726 HydrophobicContact CB-CG 3.9Å; C708-Y726 VanDerWaalsContact SG-CB 3.59Å; C708-Y726 WeakPolarHBondContact SG-CD2 3.06Å; C708-Y726 VanDerWaalsContact SG-CG 3.6Å; M722-Y726 WeakPolarHBondContact O-CB 3.45Å; M722-Y726 PolarHBondContact O-N 3.43Å; A723-Y726 PolarHBondContact O-N 3.23Å; L724-Y726 VanDerWaalsContact C-N 3.33Å; L724-Y726 PolarHBondContact O-N 2.97Å; Y726-T730 WeakPolarHBondContact CD2-OG1 2.88Å; Y726-T730 HydrophobicContact CE1-CG2 4.17Å; Y726-T730 HydrophobicContact CE2-CG2 4.05Å; Y726-T730 WeakPolarHBondContact CE2-OG1 3.17Å; Y726-T730 WeakPolarHBondContact O-CA 3.04Å; Y726-T730 VanDerWaalsContact O-CB 3.28Å; Y726-T730 WeakPolarHBondContact O-CB 3.37Å; Y726-T730 PolarHBondContact O-N 3.46Å; Y726-G731 PolarHBondContact O-N 3.21Å; Y726-G731 VanDerWaalsContact O-N 3.17Å; Y726-I732 HydrophobicContact CD1-CD1 3.48Å; Y726-I732 VanDerWaalsContact CD1-CD1 3.48Å; Y726-I732 HydrophobicContact CE1-CD1 3.63Å |
| 727 | W | 93.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.2 | -175.3 | 33.6 | 0 | 0 | 0 | 113.3 | M683 L699 A723 L724 L725 G731 I732 H779 K780 A781 L876 V878 | M683-W727 HydrophobicContact CB-CD2 4.14Å; M683-W727 HydrophobicContact CB-CE3 4.07Å; M683-W727 HydrophobicContact CB-CH2 3.85Å; M683-W727 HydrophobicContact CB-CZ2 3.93Å; M683-W727 HydrophobicContact CB-CZ3 3.95Å; M683-W727 HydrophobicContact CE-CB 3.58Å; M683-W727 HydrophobicContact CE-CD2 4.18Å; M683-W727 HydrophobicContact CE-CE3 4.16Å; M683-W727 HydrophobicContact CE-CG 4Å; M683-W727 HydrophobicContact CG-CD2 3.64Å; M683-W727 HydrophobicContact CG-CE3 3.4Å; M683-W727 VanDerWaalsContact CG-CE3 3.4Å; M683-W727 HydrophobicContact CG-CG 4.3Å; M683-W727 HydrophobicContact CG-CH2 4.1Å; M683-W727 HydrophobicContact CG-CZ2 4.33Å; M683-W727 HydrophobicContact CG-CZ3 3.69Å; M683-W727 HydrophobicContact SD-CB 3.94Å; M683-W727 HydrophobicContact SD-CD2 3.75Å; M683-W727 HydrophobicContact SD-CE3 4.03Å; M683-W727 HydrophobicContact SD-CG 3.74Å; L699-W727 HydrophobicContact CD1-CZ2 3.94Å; A723-W727 PolarHBondContact O-N 3.43Å; L724-W727 WeakPolarHBondContact O-CB 3.47Å; L724-W727 PolarHBondContact O-N 3.1Å; L724-W727 VanDerWaalsContact O-N 3.12Å; L725-W727 VanDerWaalsContact C-N 3.27Å; L725-W727 PolarHBondContact O-N 3.37Å; W727-G731 VanDerWaalsContact O-CA 3.25Å; W727-G731 WeakPolarHBondContact O-CA 3.3Å; W727-G731 PolarHBondContact O-N 2.82Å; W727-G731 VanDerWaalsContact O-N 3.14Å; W727-I732 HydrophobicContact CB-CG1 3.98Å; W727-I732 HydrophobicContact CG-CG1 3.98Å; W727-H779 PolarHBondContact NE1-O 2.73Å; W727-K780 WeakPolarHBondContact O-CA 3.42Å; W727-A781 HydrophobicContact CD2-CB 3.66Å; W727-A781 HydrophobicContact CE3-CB 3.48Å; W727-A781 VanDerWaalsContact CE3-CB 3.48Å; W727-A781 HydrophobicContact CG-CB 4.2Å; W727-A781 HydrophobicContact CH2-CB 4.32Å; W727-A781 HydrophobicContact CZ2-CB 4.44Å; W727-A781 HydrophobicContact CZ3-CB 3.8Å; W727-A781 PolarHBondContact O-N 3.16Å; W727-L876 HydrophobicContact CE3-CD1 3.67Å; W727-L876 HydrophobicContact CE3-CD2 3.44Å; W727-L876 VanDerWaalsContact CE3-CD2 3.44Å; W727-L876 HydrophobicContact CE3-CG 4.09Å; W727-L876 HydrophobicContact CH2-CD1 4.35Å; W727-L876 HydrophobicContact CZ3-CB 4.12Å; W727-L876 HydrophobicContact CZ3-CD1 3.23Å; W727-L876 HydrophobicContact CZ3-CD2 3.42Å; W727-L876 VanDerWaalsContact CZ3-CD2 3.42Å; W727-L876 HydrophobicContact CZ3-CG 3.71Å; W727-V878 HydrophobicContact CH2-CG1 4.3Å; W727-V878 HydrophobicContact CH2-CG2 3.57Å; W727-V878 HydrophobicContact CZ3-CG2 4.17Å |
| 728 | K | 88.1 | Confident | 91.4 | Very high | 86 Ų | 86 | 27.6 Ų | 27.6 | 37% | 0.374 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.9 | -50.6 | 174.1 | -177.4 | -177.4 | 178.7 | -174.6 | 0 | 112 | L724 L725 A781 V784 | L724-K728 PolarHBondContact O-N 2.9Å; L725-K728 PolarHBondContact O-N 2.94Å; K728-A781 HydrophobicContact CB-CB 4.27Å; K728-V784 HydrophobicContact CB-CG2 3.7Å; K728-V784 HydrophobicContact CD-CG2 4.11Å; K728-V784 HydrophobicContact CG-CG2 4.4Å |
| 729 | N | 90.2 | Very high | 91.6 | Very high | 99 Ų | 99 | 30.4 Ų | 30.4 | 53% | 0.529 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -79.7 | -45.5 | -169.6 | -64.5 | -20.3 | 0 | 0 | 0 | 112.1 | L725 K780 | L725-N729 WeakPolarHBondContact O-CB 3.29Å; L725-N729 PolarHBondContact O-N 3.35Å; L725-N729 PolarHBondContact O-ND2 3.49Å; N729-K780 PolarHBondContact O-NZ 3.3Å |
| 730 | T | 92.9 | Very high | 92.1 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 33% | 0.325 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -38.8 | -174.2 | -46.4 | 0 | 0 | 0 | 0 | 112.5 | Y726 K780 | Y726-T730 WeakPolarHBondContact CD2-OG1 2.88Å; Y726-T730 HydrophobicContact CE1-CG2 4.17Å; Y726-T730 HydrophobicContact CE2-CG2 4.05Å; Y726-T730 WeakPolarHBondContact CE2-OG1 3.17Å; Y726-T730 WeakPolarHBondContact O-CA 3.04Å; Y726-T730 VanDerWaalsContact O-CB 3.28Å; Y726-T730 WeakPolarHBondContact O-CB 3.37Å; Y726-T730 PolarHBondContact O-N 3.46Å; T730-K780 VanDerWaalsContact O-CE 3.22Å; T730-K780 WeakPolarHBondContact O-CE 3.43Å |
| 731 | G | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | 83.8 | 153.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y726 W727 R778 H779 | Y726-G731 PolarHBondContact O-N 3.21Å; Y726-G731 VanDerWaalsContact O-N 3.17Å; W727-G731 VanDerWaalsContact O-CA 3.25Å; W727-G731 WeakPolarHBondContact O-CA 3.3Å; W727-G731 PolarHBondContact O-N 2.82Å; W727-G731 VanDerWaalsContact O-N 3.14Å; G731-R778 PolarHBondContact O-NH1 2.82Å; G731-H779 CarbonylContact C-O 3.49Å; G731-H779 WeakPolarHBondContact CA-O 3.39Å | ||
| 732 | I | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -114.3 | 129.4 | -176.5 | -61.9 | -58.1 | 0 | 0 | 0 | 109.3 | M683 L699 L704 Y726 W727 H779 | M683-I732 HydrophobicContact SD-CG1 4.04Å; L699-I732 HydrophobicContact CB-CG2 3.83Å; L704-I732 HydrophobicContact CD2-CD1 3.57Å; L704-I732 HydrophobicContact CD2-CG1 4.44Å; L704-I732 HydrophobicContact CG-CD1 3.71Å; L704-I732 HydrophobicContact CG-CG1 4.45Å; Y726-I732 HydrophobicContact CD1-CD1 3.48Å; Y726-I732 VanDerWaalsContact CD1-CD1 3.48Å; Y726-I732 HydrophobicContact CE1-CD1 3.63Å; W727-I732 HydrophobicContact CB-CG1 3.98Å; W727-I732 HydrophobicContact CG-CG1 3.98Å; I732-H779 PolarHBondContact N-O 2.89Å; I732-H779 PolarHBondContact O-N 3.48Å |
| 733 | P | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -70.9 | 165.1 | 173.3 | 32.8 | -35.5 | 0 | 0 | 0 | 111.3 | S700 D703 C744 K745 I774 D777 R778 | S700-P733 VanDerWaalsContact CB-O 3.26Å; S700-P733 WeakPolarHBondContact CB-O 3.05Å; S700-P733 PolarHBondContact N-O 3.34Å; D703-P733 HydrophobicContact CB-CG 3.78Å; D703-P733 VanDerWaalsContact CG-CD 3.44Å; D703-P733 WeakPolarHBondContact OD2-CD 3.49Å; P733-C744 HydrophobicContact CB-CB 4.15Å; P733-K745 HydrophobicContact CG-CD 4.23Å; P733-I774 HydrophobicContact CB-CG1 3.97Å; P733-I774 HydrophobicContact CG-CD1 4.29Å; P733-I774 HydrophobicContact CG-CG1 4.19Å; P733-D777 WeakPolarHBondContact CA-O 3.09Å; P733-R778 HydrophobicContact CB-CG 4.43Å | ||
| 734 | T | 97.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 149.4 | 170.6 | 64.8 | 0 | 0 | 0 | 0 | 111 | K697 F698 G743 C744 K745 Y770 D777 | K697-T734 HydrophobicContact CB-CG2 4.25Å; K697-T734 HydrophobicContact CD-CG2 3.81Å; F698-T734 CarbonylContact O-C 3.43Å; F698-T734 WeakPolarHBondContact O-CA 3.15Å; T734-G743 WeakPolarHBondContact OG1-CA 3.22Å; T734-C744 WeakPolarHBondContact O-CB 3.42Å; T734-C744 PolarHBondContact O-N 3.41Å; T734-C744 VanDerWaalsContact O-N 3.07Å; T734-C744 PolarHBondContact OG1-N 3.14Å; T734-K745 PolarHBondContact O-N 3.06Å; T734-Y770 PolarHBondContact OG1-OH 2.74Å; T734-D777 WeakPolarHBondContact CA-OD2 3.47Å; T734-D777 VanDerWaalsContact CB-OD2 3.28Å; T734-D777 WeakPolarHBondContact CB-OD2 3.4Å; T734-D777 WeakPolarHBondContact CG2-OD1 3.44Å; T734-D777 WeakPolarHBondContact CG2-OD2 3.37Å; T734-D777 PolarHBondContact N-OD2 3.5Å; T734-D777 PolarHBondContact OG1-OD1 3.02Å; T734-D777 PolarHBondContact OG1-OD2 3.04Å |
| 735 | G | 96.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | -147.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F698 G743 K745 | F698-G735 PolarHBondContact O-N 2.89Å; G735-G743 WeakPolarHBondContact O-CA 3.19Å; G735-K745 WeakPolarHBondContact CA-O 3.44Å |
| 736 | G | 94.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | 172 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P746 Y747 | G736-P746 WeakPolarHBondContact O-CA 2.95Å; G736-Y747 PolarHBondContact O-N 2.99Å |
| 737 | L | 95 | Very high | 94.6 | Very high | 72 Ų | 72 | 38 Ų | 38 | 38% | 0.377 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -63 | 162.4 | 170 | -57.3 | 178.1 | 0 | 0 | 0 | 110.3 | I664 K666 F698 G739 S740 | I664-L737 HydrophobicContact CG2-CD1 4.17Å; I664-L737 HydrophobicContact CG2-CD2 4.18Å; K666-L737 HydrophobicContact CG-CD2 3.97Å; F698-L737 HydrophobicContact CE2-CG 4.33Å; L737-G739 PolarHBondContact O-N 2.95Å; L737-S740 WeakPolarHBondContact O-CB 3.28Å; L737-S740 PolarHBondContact O-N 2.91Å |
| 738 | Y | 94 | Very high | 94.6 | Very high | 126 Ų | 126 | 40.3 Ų | 40.3 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 131.4 | 172.6 | 176 | -94.5 | 0 | 0 | 0 | 111.9 | S740 Y747 S748 F749 P750 | Y738-S740 PolarHBondContact O-N 3.46Å; Y738-Y747 VanDerWaalsContact CA-O 3.26Å; Y738-Y747 WeakPolarHBondContact CA-O 3.16Å; Y738-S748 WeakPolarHBondContact CD2-O 3Å; Y738-S748 WeakPolarHBondContact CE2-O 3.47Å; Y738-F749 VanDerWaalsContact CD2-C 3.47Å; Y738-P750 HydrophobicContact CD1-CB 4.08Å; Y738-P750 HydrophobicContact CD2-CB 4.25Å; Y738-P750 HydrophobicContact CE1-CB 3.83Å; Y738-P750 HydrophobicContact CE2-CB 4Å; Y738-P750 HydrophobicContact CE2-CG 4.17Å; Y738-P750 HydrophobicContact CG-CB 4.28Å |
| 739 | G | 92.5 | Very high | 94.9 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 60% | 0.598 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -2.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L737 | L737-G739 PolarHBondContact O-N 2.95Š|
| 740 | S | 94.7 | Very high | 94.9 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | trans | -65.8 | 139.4 | 175.5 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | L737 Y738 T742 P746 | L737-S740 WeakPolarHBondContact O-CB 3.28Å; L737-S740 PolarHBondContact O-N 2.91Å; Y738-S740 PolarHBondContact O-N 3.46Å; S740-T742 PolarHBondContact OG-N 3.29Å; S740-T742 PolarHBondContact OG-OG1 3.44Å; S740-P746 WeakPolarHBondContact O-CG 3.45Å | ||
| 741 | K | 94.2 | Very high | 94.7 | Very high | 127 Ų | 127 | 36 Ų | 36 | 55% | 0.552 | 21% | 0.207 | S | C | * | . | trans | -108.5 | 5.6 | 175.7 | -59.9 | -173.2 | 177.3 | -153.1 | 0 | 113.4 | E769 | K741-E769 HydrophobicContact CB-CB 4.32Å; K741-E769 HydrophobicContact CD-CB 4.2Å; K741-E769 HydrophobicContact CD-CG 4.01Å; K741-E769 WeakPolarHBondContact CE-OE1 3.23Å; K741-E769 HydrophobicContact CG-CB 4.41Å; K741-E769 IonicContact NZ-OE1 2.68Å; K741-E769 PolarHBondContact NZ-OE1 3.2Å | ||
| 742 | T | 91.5 | Very high | 94 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 63% | 0.632 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -94.6 | -0.2 | -171.5 | 59 | 0 | 0 | 0 | 0 | 114.6 | S740 Y770 | S740-T742 PolarHBondContact OG-N 3.29Å; S740-T742 PolarHBondContact OG-OG1 3.44Å; T742-Y770 WeakPolarHBondContact O-CE2 3.22Å |
| 743 | G | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -142.1 | 164.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T734 G735 | T734-G743 WeakPolarHBondContact OG1-CA 3.22Å; G735-G743 WeakPolarHBondContact O-CA 3.19Å |
| 744 | C | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -62.9 | -46.1 | -173 | 174.1 | 0 | 0 | 0 | 0 | 113.4 | P733 T734 C766 I767 Y770 D777 | P733-C744 HydrophobicContact CB-CB 4.15Å; T734-C744 WeakPolarHBondContact O-CB 3.42Å; T734-C744 PolarHBondContact O-N 3.41Å; T734-C744 VanDerWaalsContact O-N 3.07Å; T734-C744 PolarHBondContact OG1-N 3.14Å; C744-C766 HydrophobicContact CB-CB 3.8Å; C744-C766 WeakPolarHBondContact CB-SG 3.43Å; C744-C766 CarbonylContact O-C 3.54Å; C744-C766 VanDerWaalsContact O-CA 3.23Å; C744-C766 WeakPolarHBondContact O-CA 3.37Å; C744-C766 WeakPolarHBondContact O-CB 3.46Å; C744-C766 WeakPolarHBondContact SG-CA 3.12Å; C744-C766 WeakPolarHBondContact SG-CB 2.99Å; C744-C766 CovalentContact SG-SG 2.03Å; C744-C766 PolarHBondContact SG-SG 3.08Å; C744-I767 PolarHBondContact O-N 3.46Å; C744-Y770 VanDerWaalsContact CA-CD1 3.42Å; C744-Y770 HydrophobicContact CB-CD1 3.64Å; C744-Y770 HydrophobicContact CB-CE1 3.72Å; C744-Y770 HydrophobicContact CB-CG 4.48Å; C744-D777 WeakPolarHBondContact CB-OD2 3.24Å |
| 745 | K | 97.2 | Very high | 91.1 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 80.7 | -176 | -77.1 | -173.3 | 170.4 | -174.2 | 0 | 111.6 | S700 E702 D703 C707 P733 T734 G735 T763 I774 | S700-K745 WeakPolarHBondContact CB-O 3.34Å; S700-K745 WeakPolarHBondContact OG-CB 3.03Å; S700-K745 PolarHBondContact OG-O 3.44Å; E702-K745 HydrophobicContact CB-CB 4.35Å; E702-K745 HydrophobicContact CG-CB 4.48Å; D703-K745 HydrophobicContact CB-CD 3.94Å; D703-K745 IonicContact OD1-NZ 3.98Å; D703-K745 PolarHBondContact OD1-NZ 2.95Å; C707-K745 PolarHBondContact SG-NZ 3.04Å; C707-K745 VanDerWaalsContact SG-NZ 3.44Å; P733-K745 HydrophobicContact CG-CD 4.23Å; T734-K745 PolarHBondContact O-N 3.06Å; G735-K745 WeakPolarHBondContact CA-O 3.44Å; K745-T763 WeakPolarHBondContact CE-O 3.44Å; K745-T763 PolarHBondContact NZ-O 2.94Å; K745-I774 HydrophobicContact CD-CD1 4.29Å |
| 746 | P | 97.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 155.3 | 172.5 | 31.5 | -37.6 | 0 | 0 | 0 | 111.6 | G736 S740 S748 I767 | G736-P746 WeakPolarHBondContact O-CA 2.95Å; S740-P746 WeakPolarHBondContact O-CG 3.45Å; P746-S748 PolarHBondContact O-N 3.41Å; P746-I767 HydrophobicContact CG-CD1 4.11Å; P746-I767 HydrophobicContact CG-CG2 3.91Å |
| 747 | Y | 97.1 | Very high | 89.9 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | trans | -60.4 | 127.6 | 177.5 | -162.7 | -124.1 | 0 | 0 | 0 | 111.3 | D667 Q668 S673 V677 D701 L705 G736 Y738 F749 | D667-Y747 WeakPolarHBondContact O-CE1 3.38Å; Q668-Y747 PolarHBondContact O-OH 3.42Å; S673-Y747 PolarHBondContact OG-OH 3.33Å; V677-Y747 HydrophobicContact CG2-CE2 4.46Å; D701-Y747 WeakPolarHBondContact OD2-CB 3.3Å; D701-Y747 WeakPolarHBondContact OD2-CD2 3.12Å; L705-Y747 HydrophobicContact CD2-CE2 4.2Å; G736-Y747 PolarHBondContact O-N 2.99Å; Y738-Y747 VanDerWaalsContact CA-O 3.26Å; Y738-Y747 WeakPolarHBondContact CA-O 3.16Å; Y747-F749 HydrophobicContact CD1-CB 4.21Å; Y747-F749 HydrophobicContact CE1-CB 3.81Å; Y747-F749 AromaticContact CE1-CD2 3.84Å; Y747-F749 HydrophobicContact CE1-CD2 3.84Å; Y747-F749 HydrophobicContact CE1-CG 4.35Å; Y747-F749 AromaticContact CE2-CD2 3.99Å; Y747-F749 HydrophobicContact CE2-CD2 3.99Å; Y747-F749 HydrophobicContact CE2-CE2 4.5Å; Y747-F749 AromaticContact CZ-CD2 3.55Å | ||
| 748 | S | 94.7 | Very high | 89.6 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | trans | -81 | -16.3 | -172 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | E702 Y738 P746 P760 | E702-S748 VanDerWaalsContact CD-OG 3.3Å; E702-S748 PolarHBondContact OE1-OG 3.35Å; E702-S748 VanDerWaalsContact OE1-OG 3.08Å; E702-S748 WeakPolarHBondContact OE2-CB 3.38Å; E702-S748 PolarHBondContact OE2-N 3.02Å; E702-S748 PolarHBondContact OE2-OG 3.43Å; Y738-S748 WeakPolarHBondContact CD2-O 3Å; Y738-S748 WeakPolarHBondContact CE2-O 3.47Å; P746-S748 PolarHBondContact O-N 3.41Å; S748-P760 VanDerWaalsContact OG-CG 3.3Å; S748-P760 WeakPolarHBondContact OG-CG 3.43Å | ||
| 749 | F | 94.7 | Very high | 89.6 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -94.1 | 127.1 | -177.1 | -54.5 | -62.6 | 0 | 0 | 0 | 113.2 | C671 L705 Y738 Y747 A757 R758 P760 | C671-F749 HydrophobicContact CB-CD2 4.05Å; C671-F749 HydrophobicContact CB-CE2 3.93Å; L705-F749 HydrophobicContact CD2-CE2 3.7Å; Y738-F749 VanDerWaalsContact CD2-C 3.47Å; Y747-F749 HydrophobicContact CD1-CB 4.21Å; Y747-F749 HydrophobicContact CE1-CB 3.81Å; Y747-F749 AromaticContact CE1-CD2 3.84Å; Y747-F749 HydrophobicContact CE1-CD2 3.84Å; Y747-F749 HydrophobicContact CE1-CG 4.35Å; Y747-F749 AromaticContact CE2-CD2 3.99Å; Y747-F749 HydrophobicContact CE2-CD2 3.99Å; Y747-F749 HydrophobicContact CE2-CE2 4.5Å; Y747-F749 AromaticContact CZ-CD2 3.55Å; F749-A757 HydrophobicContact CD1-CB 3.89Å; F749-A757 HydrophobicContact CD2-CB 4.39Å; F749-A757 HydrophobicContact CE1-CB 3.59Å; F749-A757 HydrophobicContact CE2-CB 4.1Å; F749-A757 HydrophobicContact CG-CB 4.28Å; F749-A757 HydrophobicContact CZ-CB 3.69Å; F749-R758 VanDerWaalsContact CZ-O 3.29Å; F749-R758 WeakPolarHBondContact CZ-O 3.33Å; F749-P760 HydrophobicContact CE1-CG 4.37Å; F749-P760 HydrophobicContact CE2-CG 4.08Å; F749-P760 HydrophobicContact CZ-CG 3.62Å |
| 750 | P | 90.2 | Very high | 89.6 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -66 | 143.2 | 176.4 | 17.4 | -20.7 | 0 | 0 | 0 | 111.1 | S669 Y738 N753 | S669-P750 WeakPolarHBondContact CB-O 3.28Å; S669-P750 PolarHBondContact OG-O 3.2Å; Y738-P750 HydrophobicContact CD1-CB 4.08Å; Y738-P750 HydrophobicContact CD2-CB 4.25Å; Y738-P750 HydrophobicContact CE1-CB 3.83Å; Y738-P750 HydrophobicContact CE2-CB 4Å; Y738-P750 HydrophobicContact CE2-CG 4.17Å; Y738-P750 HydrophobicContact CG-CB 4.28Å; P750-N753 HydrophobicContact CG-CB 4.02Å; P750-N753 WeakPolarHBondContact O-CB 3.26Å; P750-N753 PolarHBondContact O-N 3.17Å |
| 751 | P | 88.3 | Confident | 89.5 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 142.3 | 176.5 | 25.9 | -34.2 | 0 | 0 | 0 | 110.6 | D667 N753 | D667-P751 HydrophobicContact CB-CB 3.99Å; D667-P751 VanDerWaalsContact OD2-CA 3.25Å; D667-P751 WeakPolarHBondContact OD2-CA 3.25Å; D667-P751 VanDerWaalsContact OD2-CB 3.27Å; D667-P751 WeakPolarHBondContact OD2-CB 3.44Å; P751-N753 PolarHBondContact O-N 2.91Å; P751-N753 VanDerWaalsContact O-N 3.17Å |
| 752 | G | 78.7 | Confident | 89.6 | Confident | 19 Ų | 19 | 62 Ų | 62 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 6.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | D667 R754 | D667-G752 PolarHBondContact OD2-N 2.91Å; G752-R754 PolarHBondContact O-N 3.42Å |
| 753 | N | 79.8 | Confident | 89.7 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | trans | -64.2 | 130.5 | 175.4 | -171.1 | -4.4 | 0 | 0 | 0 | 110.8 | N670 P750 P751 K755 | N670-N753 WeakPolarHBondContact CB-O 3.42Å; P750-N753 HydrophobicContact CG-CB 4.02Å; P750-N753 WeakPolarHBondContact O-CB 3.26Å; P750-N753 PolarHBondContact O-N 3.17Å; P751-N753 PolarHBondContact O-N 2.91Å; P751-N753 VanDerWaalsContact O-N 3.17Å; N753-K755 PolarHBondContact OD1-N 2.87Å | ||
| 754 | R | 72 | Confident | 89.5 | Confident | 143 Ų | 143 | 66.5 Ų | 66.5 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | trans | -88.3 | -17.4 | 179 | -63 | -172.6 | -177.1 | -166.8 | -2.7 | 113.5 | R609 N670 G752 K756 | R609-R754 VanDerWaalsContact O-CZ 3.26Å; R609-R754 PolarHBondContact O-NH1 3.36Å; R609-R754 PolarHBondContact O-NH2 3.29Å; N670-R754 PolarHBondContact ND2-O 3.48Å; G752-R754 PolarHBondContact O-N 3.42Å; R754-K756 PolarHBondContact O-N 2.86Å | ||
| 755 | K | 77.8 | Confident | 89.3 | Confident | 167 Ų | 167 | 74.4 Ų | 74.4 | 73% | 0.726 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -66.6 | 130.3 | 179.4 | -66 | -174.4 | -179.9 | -178.6 | 0 | 109.7 | N753 A757 | N753-K755 PolarHBondContact OD1-N 2.87Å; K755-A757 PolarHBondContact O-N 3.41Å |
| 756 | K | 80.4 | Confident | 89.2 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 117.3 | 174.6 | 178.8 | 178.8 | 177.1 | 178.8 | 0 | 109.5 | R618 N670 R754 | R618-K756 VanDerWaalsContact NH1-CE 3.3Å; N670-K756 PolarHBondContact ND2-N 3.05Å; R754-K756 PolarHBondContact O-N 2.86Å |
| 757 | A | 86 | Confident | 89.2 | Confident | 9 Ų | 9 | 76.6 Ų | 76.6 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 134.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | N670 C671 F749 K755 | N670-A757 VanDerWaalsContact O-CB 3.23Å; N670-A757 WeakPolarHBondContact O-CB 3.41Å; N670-A757 PolarHBondContact O-N 2.83Å; N670-A757 VanDerWaalsContact O-N 3.11Å; C671-A757 HydrophobicContact CB-CB 3.56Å; F749-A757 HydrophobicContact CD1-CB 3.89Å; F749-A757 HydrophobicContact CD2-CB 4.39Å; F749-A757 HydrophobicContact CE1-CB 3.59Å; F749-A757 HydrophobicContact CE2-CB 4.1Å; F749-A757 HydrophobicContact CG-CB 4.28Å; F749-A757 HydrophobicContact CZ-CB 3.69Å; K755-A757 PolarHBondContact O-N 3.41Å |
| 758 | R | 89.7 | Confident | 89 | Confident | 219 Ų | 219 | 86 Ų | 86 | 83% | 0.826 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 135.3 | 168.6 | -68.2 | -176.7 | 177.1 | 178.2 | -1.2 | 107.9 | F749 P760 | F749-R758 VanDerWaalsContact CZ-O 3.29Å; F749-R758 WeakPolarHBondContact CZ-O 3.33Å; R758-P760 WeakPolarHBondContact O-CD 3.16Å |
| 759 | T | 93 | Very high | 89 | Confident | 54 Ų | 54 | 88.6 Ų | 88.6 | 33% | 0.331 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 123.4 | 175.9 | -53.7 | 0 | 0 | 0 | 0 | 109.5 | N713 C715 | N713-T759 PolarHBondContact O-OG1 3.11Å; C715-T759 PolarHBondContact N-OG1 3.48Å |
| 760 | P | 92.8 | Very high | 89 | Confident | 26 Ų | 26 | 88.5 Ų | 88.5 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 150.5 | 179 | -21.4 | 36.9 | 0 | 0 | 0 | 110.3 | E702 L705 S706 S748 F749 R758 | E702-P760 WeakPolarHBondContact OE1-CB 3.42Å; E702-P760 WeakPolarHBondContact OE1-CG 3.39Å; L705-P760 HydrophobicContact CD2-CG 4.46Å; S706-P760 VanDerWaalsContact CB-O 3.3Å; S706-P760 WeakPolarHBondContact CB-O 3.18Å; S748-P760 VanDerWaalsContact OG-CG 3.3Å; S748-P760 WeakPolarHBondContact OG-CG 3.43Å; F749-P760 HydrophobicContact CE1-CG 4.37Å; F749-P760 HydrophobicContact CE2-CG 4.08Å; F749-P760 HydrophobicContact CZ-CG 3.62Å; R758-P760 WeakPolarHBondContact O-CD 3.16Å |
| 761 | A | 92.9 | Very high | 89.1 | Confident | 83 Ų | 83 | 92.5 Ų | 92.5 | 69% | 0.686 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -67 | 136.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T763 | A761-T763 PolarHBondContact O-N 3.48Š|
| 762 | C | 95.4 | Very high | 89.3 | Confident | 65 Ų | 65 | 91.1 Ų | 91.1 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 126.9 | 171.1 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | S706 C707 | S706-C762 VanDerWaalsContact O-CB 3.31Å; S706-C762 WeakPolarHBondContact O-CB 3.27Å; C707-C762 VanDerWaalsContact CA-SG 3.52Å; C707-C762 HydrophobicContact CB-CB 3.95Å; C707-C762 WeakPolarHBondContact CB-SG 3.17Å; C707-C762 WeakPolarHBondContact SG-CA 3.47Å; C707-C762 WeakPolarHBondContact SG-CB 3.37Å; C707-C762 CovalentContact SG-SG 2.04Å; C707-C762 PolarHBondContact SG-SG 3.09Å |
| 763 | T | 92.9 | Very high | 90 | Very high | 76 Ų | 76 | 95 Ų | 95 | 47% | 0.466 | 48% | 0.478 | S | S | . | . | trans | -123.9 | 143.5 | 173.5 | 62.1 | 0 | 0 | 0 | 0 | 111 | K745 A761 K765 | K745-T763 WeakPolarHBondContact CE-O 3.44Å; K745-T763 PolarHBondContact NZ-O 2.94Å; A761-T763 PolarHBondContact O-N 3.48Å; T763-K765 VanDerWaalsContact C-N 3.27Å; T763-K765 PolarHBondContact O-N 2.71Å | ||
| 764 | N | 90.8 | Very high | 90.7 | Very high | 123 Ų | 123 | 93 Ų | 93 | 66% | 0.658 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -94 | 33.8 | 176.2 | -70.7 | -28.1 | 0 | 0 | 0 | 112.2 | I774 | N764-I774 WeakPolarHBondContact O-CG2 3.31Š|
| 765 | K | 93.1 | Very high | 91.6 | Very high | 166 Ų | 166 | 89.8 Ų | 89.8 | 72% | 0.722 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -135.1 | 148.5 | -178.9 | -64.5 | -177.1 | -179.4 | 179.5 | 0 | 109.8 | T763 | T763-K765 VanDerWaalsContact C-N 3.27Å; T763-K765 PolarHBondContact O-N 2.71Å |
| 766 | C | 96.4 | Very high | 92.3 | Very high | 27 Ų | 27 | 89.7 Ų | 89.7 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | trans | -79.4 | 167.1 | 168.4 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | C744 Y770 V772 | C744-C766 HydrophobicContact CB-CB 3.8Å; C744-C766 WeakPolarHBondContact CB-SG 3.43Å; C744-C766 CarbonylContact O-C 3.54Å; C744-C766 VanDerWaalsContact O-CA 3.23Å; C744-C766 WeakPolarHBondContact O-CA 3.37Å; C744-C766 WeakPolarHBondContact O-CB 3.46Å; C744-C766 WeakPolarHBondContact SG-CA 3.12Å; C744-C766 WeakPolarHBondContact SG-CB 2.99Å; C744-C766 CovalentContact SG-SG 2.03Å; C744-C766 PolarHBondContact SG-SG 3.08Å; C766-Y770 HydrophobicContact CB-CD1 4.13Å; C766-V772 PolarHBondContact SG-O 3.26Å | ||
| 767 | I | 95.4 | Very high | 93 | Very high | 48 Ų | 48 | 84.4 Ų | 84.4 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | trans | -55.6 | 150.7 | 164.8 | 58 | 166.8 | 0 | 0 | 0 | 110.4 | C744 P746 E769 Y770 | C744-I767 PolarHBondContact O-N 3.46Å; P746-I767 HydrophobicContact CG-CD1 4.11Å; P746-I767 HydrophobicContact CG-CG2 3.91Å; I767-E769 PolarHBondContact O-N 2.95Å; I767-Y770 PolarHBondContact O-N 3.22Å; I767-Y770 VanDerWaalsContact O-N 3.09Å | ||
| 768 | K | 93.1 | Very high | 93.4 | Very high | 210 Ų | 210 | 86.8 Ų | 86.8 | 91% | 0.913 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.5 | -173.3 | -69.6 | -176.9 | 178.7 | -179.6 | 0 | 112.6 | Y770 | K768-Y770 VanDerWaalsContact C-N 3.28Å; K768-Y770 PolarHBondContact O-N 3.48Å |
| 769 | E | 95 | Very high | 93.6 | Very high | 104 Ų | 104 | 78.4 Ų | 78.4 | 49% | 0.486 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.9 | -178.5 | -60.2 | 99 | 137.6 | 0 | 0 | 114.1 | K741 I767 | K741-E769 HydrophobicContact CB-CB 4.32Å; K741-E769 HydrophobicContact CD-CB 4.2Å; K741-E769 HydrophobicContact CD-CG 4.01Å; K741-E769 WeakPolarHBondContact CE-OE1 3.23Å; K741-E769 HydrophobicContact CG-CB 4.41Å; K741-E769 IonicContact NZ-OE1 2.68Å; K741-E769 PolarHBondContact NZ-OE1 3.2Å; I767-E769 PolarHBondContact O-N 2.95Å |
| 770 | Y | 95.7 | Very high | 93.6 | Very high | 23 Ų | 23 | 80.8 Ų | 80.8 | 9% | 0.09 | 43% | 0.431 | C | S | . | . | trans | -96.3 | 118.7 | 179.2 | -166.3 | -110.3 | 0 | 0 | 0 | 111.1 | K697 T734 T742 C744 C766 I767 K768 V772 D777 | K697-Y770 PolarHBondContact NZ-OH 3.41Å; T734-Y770 PolarHBondContact OG1-OH 2.74Å; T742-Y770 WeakPolarHBondContact O-CE2 3.22Å; C744-Y770 VanDerWaalsContact CA-CD1 3.42Å; C744-Y770 HydrophobicContact CB-CD1 3.64Å; C744-Y770 HydrophobicContact CB-CE1 3.72Å; C744-Y770 HydrophobicContact CB-CG 4.48Å; C766-Y770 HydrophobicContact CB-CD1 4.13Å; I767-Y770 PolarHBondContact O-N 3.22Å; I767-Y770 VanDerWaalsContact O-N 3.09Å; K768-Y770 VanDerWaalsContact C-N 3.28Å; K768-Y770 PolarHBondContact O-N 3.48Å; Y770-V772 HydrophobicContact CD1-CB 4.18Å; Y770-V772 HydrophobicContact CE1-CB 3.64Å; Y770-V772 HydrophobicContact CE1-CG2 4.15Å; Y770-V772 PolarHBondContact O-N 2.92Å; Y770-D777 HydrophobicContact CE1-CB 4.36Å; Y770-D777 WeakPolarHBondContact CE1-OD1 3.49Å; Y770-D777 PolarHBondContact OH-OD1 3.45Å | ||
| 771 | P | 92 | Very high | 93.3 | Very high | 122 Ų | 122 | 80 Ų | 80 | 79% | 0.792 | 43% | 0.426 | S | S | * | . | trans | -79.1 | -16.6 | -167.5 | 30.2 | -36 | 0 | 0 | 0 | 114.4 | ||||
| 772 | V | 93.2 | Very high | 92.8 | Very high | 55 Ų | 55 | 81.5 Ų | 81.5 | 33% | 0.333 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -89.6 | 131.5 | -175 | -173.1 | 0 | 0 | 0 | 0 | 110 | C766 Y770 K776 D777 | C766-V772 PolarHBondContact SG-O 3.26Å; Y770-V772 HydrophobicContact CD1-CB 4.18Å; Y770-V772 HydrophobicContact CE1-CB 3.64Å; Y770-V772 HydrophobicContact CE1-CG2 4.15Å; Y770-V772 PolarHBondContact O-N 2.92Å; V772-K776 HydrophobicContact CG1-CB 4Å; V772-D777 HydrophobicContact CG1-CB 4.06Å |
| 773 | N | 92.5 | Very high | 92.1 | Very high | 101 Ų | 101 | 83.4 Ų | 83.4 | 54% | 0.54 | 42% | 0.417 | S | S | . | . | trans | -63.5 | 137.7 | 173.9 | -176.9 | -75.3 | 0 | 0 | 0 | 111.1 | A775 K776 D777 | N773-A775 PolarHBondContact O-N 3.37Å; N773-A775 WeakPolarHBondContact OD1-CB 3.4Å; N773-A775 PolarHBondContact OD1-N 3.42Å; N773-K776 PolarHBondContact O-N 2.87Å; N773-D777 PolarHBondContact O-N 2.95Å | ||
| 774 | I | 94.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 80.4 Ų | 80.4 | 6% | 0.062 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -50.3 | -38.3 | -177.8 | -167.1 | 171.6 | 0 | 0 | 0 | 113.6 | P733 K745 N764 K776 D777 R778 | P733-I774 HydrophobicContact CB-CG1 3.97Å; P733-I774 HydrophobicContact CG-CD1 4.29Å; P733-I774 HydrophobicContact CG-CG1 4.19Å; K745-I774 HydrophobicContact CD-CD1 4.29Å; N764-I774 WeakPolarHBondContact O-CG2 3.31Å; I774-K776 PolarHBondContact O-N 2.72Å; I774-D777 PolarHBondContact O-N 2.64Å; I774-D777 VanDerWaalsContact O-N 3.15Å; I774-R778 WeakPolarHBondContact O-CG 3.42Å; I774-R778 PolarHBondContact O-N 3.02Å |
| 775 | A | 90.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 74.8 Ų | 74.8 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66 | -29.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N773 | N773-A775 PolarHBondContact O-N 3.37Å; N773-A775 WeakPolarHBondContact OD1-CB 3.4Å; N773-A775 PolarHBondContact OD1-N 3.42Å |
| 776 | K | 93.3 | Very high | 89.8 | Confident | 165 Ų | 165 | 66.9 Ų | 66.9 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -88.1 | -13.9 | 176.5 | -65.9 | -176.3 | 177.8 | 178.3 | 0 | 113.1 | V772 N773 I774 | V772-K776 HydrophobicContact CG1-CB 4Å; N773-K776 PolarHBondContact O-N 2.87Å; I774-K776 PolarHBondContact O-N 2.72Å |
| 777 | D | 95.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -98.8 | -3.6 | -176.9 | -164.6 | 68.1 | 0 | 0 | 0 | 112.8 | P733 T734 C744 Y770 V772 N773 I774 H779 | P733-D777 WeakPolarHBondContact CA-O 3.09Å; T734-D777 WeakPolarHBondContact CA-OD2 3.47Å; T734-D777 VanDerWaalsContact CB-OD2 3.28Å; T734-D777 WeakPolarHBondContact CB-OD2 3.4Å; T734-D777 WeakPolarHBondContact CG2-OD1 3.44Å; T734-D777 WeakPolarHBondContact CG2-OD2 3.37Å; T734-D777 PolarHBondContact N-OD2 3.5Å; T734-D777 PolarHBondContact OG1-OD1 3.02Å; T734-D777 PolarHBondContact OG1-OD2 3.04Å; C744-D777 WeakPolarHBondContact CB-OD2 3.24Å; Y770-D777 HydrophobicContact CE1-CB 4.36Å; Y770-D777 WeakPolarHBondContact CE1-OD1 3.49Å; Y770-D777 PolarHBondContact OH-OD1 3.45Å; V772-D777 HydrophobicContact CG1-CB 4.06Å; N773-D777 PolarHBondContact O-N 2.95Å; I774-D777 PolarHBondContact O-N 2.64Å; I774-D777 VanDerWaalsContact O-N 3.15Å; D777-H779 PolarHBondContact O-CD2 2.79Å; D777-H779 PolarHBondContact O-N 2.7Å; D777-H779 PolarHBondContact O-NE2 2.49Å |
| 778 | R | 94.3 | Very high | 86.5 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | trans | -74 | 124.1 | 177.7 | -76.2 | -174.5 | -176 | -77.6 | -7.4 | 111.7 | D703 G731 P733 I774 | D703-R778 IonicContact OD1-NH1 3.11Å; D703-R778 IonicContact OD1-NH2 3.11Å; D703-R778 PolarHBondContact OD1-NH2 3.49Å; D703-R778 IonicContact OD2-CZ 2.66Å; D703-R778 IonicContact OD2-NH1 3.86Å; D703-R778 PolarHBondContact OD2-NH1 3.48Å; D703-R778 IonicContact OD2-NH2 3.99Å; G731-R778 PolarHBondContact O-NH1 2.82Å; P733-R778 HydrophobicContact CB-CG 4.43Å; I774-R778 WeakPolarHBondContact O-CG 3.42Å; I774-R778 PolarHBondContact O-N 3.02Å | ||
| 779 | H | 94.1 | Very high | 84.6 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -101.5 | 130.6 | 172.7 | -60.5 | -94.4 | 0 | 0 | 0 | 109.5 | L699 W727 G731 I732 D777 | L699-H779 HydrophobicContact CD2-CB 3.91Å; W727-H779 PolarHBondContact NE1-O 2.73Å; G731-H779 CarbonylContact C-O 3.49Å; G731-H779 WeakPolarHBondContact CA-O 3.39Å; I732-H779 PolarHBondContact N-O 2.89Å; I732-H779 PolarHBondContact O-N 3.48Å; D777-H779 PolarHBondContact O-CD2 2.79Å; D777-H779 PolarHBondContact O-N 2.7Å; D777-H779 PolarHBondContact O-NE2 2.49Å |
| 780 | K | 92.3 | Very high | 83 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 46% | 0.457 | 31% | 0.307 | S | S | . | . | trans | -108.4 | 148.2 | -179.6 | -69.7 | -169.6 | 179.8 | -155.1 | 0 | 112.2 | W727 N729 T730 | W727-K780 WeakPolarHBondContact O-CA 3.42Å; N729-K780 PolarHBondContact O-NZ 3.3Å; T730-K780 VanDerWaalsContact O-CE 3.22Å; T730-K780 WeakPolarHBondContact O-CE 3.43Å | ||
| 781 | A | 87.2 | Confident | 81.9 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | trans | -79.2 | 149.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W727 K728 V784 L876 | W727-A781 HydrophobicContact CD2-CB 3.66Å; W727-A781 HydrophobicContact CE3-CB 3.48Å; W727-A781 VanDerWaalsContact CE3-CB 3.48Å; W727-A781 HydrophobicContact CG-CB 4.2Å; W727-A781 HydrophobicContact CH2-CB 4.32Å; W727-A781 HydrophobicContact CZ2-CB 4.44Å; W727-A781 HydrophobicContact CZ3-CB 3.8Å; W727-A781 PolarHBondContact O-N 3.16Å; K728-A781 HydrophobicContact CB-CB 4.27Å; A781-V784 HydrophobicContact CB-CG2 4.4Å; A781-L876 HydrophobicContact CB-CD2 4.06Å | ||
| 782 | Q | 81.4 | Confident | 81.1 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 54% | 0.542 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -82.7 | -47.2 | 169.6 | -173.6 | 180 | 2.6 | 0 | 0 | 110.8 | K879 | Q782-K879 HydrophobicContact CB-CB 4.48Š|
| 783 | R | 81.4 | Confident | 80.1 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.1 | -175.7 | -163.5 | -170.7 | -172.8 | 170.4 | 7.9 | 111.7 | E635 Y785 L876 D877 | E635-R783 IonicContact OE1-CZ 3.2Å; E635-R783 IonicContact OE1-NE 3.16Å; E635-R783 PolarHBondContact OE1-NE 3.15Å; E635-R783 VanDerWaalsContact OE1-NE 3.12Å; E635-R783 IonicContact OE1-NH2 3.61Å; E635-R783 PolarHBondContact OE1-NH2 3.37Å; E635-R783 IonicContact OE2-CZ 3.31Å; E635-R783 IonicContact OE2-NE 2.71Å; E635-R783 PolarHBondContact OE2-NE 3.24Å; E635-R783 IonicContact OE2-NH2 2.84Å; E635-R783 PolarHBondContact OE2-NH2 3.07Å; E635-R783 VanDerWaalsContact OE2-NH2 3.08Å; R783-Y785 HydrophobicContact CG-CD1 4.04Å; R783-L876 WeakPolarHBondContact O-CD2 3.04Å; R783-D877 HydrophobicContact CB-CB 4.34Å; R783-D877 PolarHBondContact N-O 3.33Å; R783-D877 PolarHBondContact O-N 2.88Å |
| 784 | V | 78.8 | Confident | 79.4 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.9 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 107.6 | F721 L724 L725 K728 A781 L876 | F721-V784 HydrophobicContact CD2-CG1 4.48Å; F721-V784 HydrophobicContact CE2-CG1 4.22Å; L724-V784 HydrophobicContact CB-CB 4.4Å; L724-V784 HydrophobicContact CB-CG1 3.41Å; L724-V784 VanDerWaalsContact CB-CG1 3.41Å; L724-V784 HydrophobicContact CB-CG2 4.07Å; L724-V784 HydrophobicContact CD1-CG1 3.98Å; L724-V784 HydrophobicContact CG-CG1 4.35Å; L724-V784 WeakPolarHBondContact O-CG2 3.33Å; L725-V784 HydrophobicContact CD2-CG1 4.33Å; K728-V784 HydrophobicContact CB-CG2 3.7Å; K728-V784 HydrophobicContact CD-CG2 4.11Å; K728-V784 HydrophobicContact CG-CG2 4.4Å; A781-V784 HydrophobicContact CB-CG2 4.4Å; V784-L876 HydrophobicContact CB-CD2 4.24Å; V784-L876 HydrophobicContact CG2-CD2 3.58Å |
| 785 | Y | 75.5 | Confident | 78.9 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 161.2 | -177.1 | 51 | -97.9 | 0 | 0 | 0 | 112.3 | E635 V637 R783 Q797 T875 L876 D877 | E635-Y785 CarbonylContact O-C 3.37Å; E635-Y785 WeakPolarHBondContact O-CA 3.48Å; E635-Y785 WeakPolarHBondContact O-CB 3.44Å; V637-Y785 HydrophobicContact CG2-CD1 4.32Å; V637-Y785 HydrophobicContact CG2-CD2 3.15Å; V637-Y785 HydrophobicContact CG2-CE2 3.54Å; V637-Y785 HydrophobicContact CG2-CG 3.57Å; R783-Y785 HydrophobicContact CG-CD1 4.04Å; Y785-Q797 PolarHBondContact OH-OE1 2.84Å; Y785-T875 WeakPolarHBondContact CE2-OG1 3.38Å; Y785-T875 PolarHBondContact N-O 2.88Å; Y785-T875 CarbonylContact O-C 3.55Å; Y785-T875 PolarHBondContact O-N 2.9Å; Y785-L876 VanDerWaalsContact CE1-C 3.46Å; Y785-L876 PolarHBondContact OH-O 3.29Å; Y785-D877 HydrophobicContact CE1-CB 4.1Å |
| 786 | G | 73.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 150.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | M634 E635 I636 V637 | M634-G786 VanDerWaalsContact SD-CA 3.56Å; E635-G786 PolarHBondContact O-N 3.11Å; I636-G786 WeakPolarHBondContact CA-O 3.5Å; V637-G786 PolarHBondContact N-O 2.89Å; V637-G786 VanDerWaalsContact N-O 3.13Å |
| 787 | I | 63.2 | Low | 78.2 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.5 | 163.3 | -54.4 | -175.9 | 0 | 0 | 0 | 106.9 | A789 N793 I794 Q797 V804 I873 T875 | I787-A789 PolarHBondContact O-N 2.87Å; I787-N793 HydrophobicContact CG2-CB 3.69Å; I787-I794 HydrophobicContact CG2-CG1 4.22Å; I787-Q797 HydrophobicContact CD1-CB 3.38Å; I787-Q797 HydrophobicContact CD1-CG 3.39Å; I787-Q797 HydrophobicContact CG1-CB 4.47Å; I787-Q797 HydrophobicContact CG1-CG 3.98Å; I787-Q797 HydrophobicContact CG2-CG 4.48Å; I787-V804 HydrophobicContact CD1-CG1 4.2Å; I787-I873 HydrophobicContact CB-CB 4.23Å; I787-I873 HydrophobicContact CB-CG2 4.02Å; I787-I873 HydrophobicContact CD1-CG2 3.6Å; I787-I873 HydrophobicContact CG1-CG2 4Å; I787-I873 PolarHBondContact N-O 2.99Å; I787-T875 HydrophobicContact CD1-CG2 3.33Å; I787-T875 WeakPolarHBondContact CD1-OG1 3.18Å; I787-T875 HydrophobicContact CG1-CG2 3.88Å; I787-T875 WeakPolarHBondContact CG1-OG1 3.45Å |
| 788 | R | 59.8 | Low | 77.9 | Confident | 68 Ų | 68 | 40 Ų | 40 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -56.5 | 139.6 | 172.6 | -165.9 | 177.2 | 170.8 | 93.6 | -2 | 109.3 | I636 D638 G790 D956 | I636-R788 HydrophobicContact CG2-CB 3.48Å; I636-R788 VanDerWaalsContact CG2-CB 3.48Å; I636-R788 HydrophobicContact CG2-CG 4.16Å; D638-R788 HydrophobicContact CB-CB 4.48Å; D638-R788 VanDerWaalsContact CG-CD 3.49Å; D638-R788 WeakPolarHBondContact OD2-CD 2.72Å; D638-R788 IonicContact OD2-NE 2.99Å; R788-G790 PolarHBondContact O-N 3.08Å; R788-G790 VanDerWaalsContact O-N 3.14Å; R788-D956 IonicContact NH2-OD2 3.12Å |
| 789 | A | 53.5 | Low | 77.8 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 61% | 0.612 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -57.5 | 121.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | I787 | I787-A789 PolarHBondContact O-N 2.87Š|
| 790 | G | 60.2 | Low | 77.5 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 35% | 0.351 | 21% | 0.213 | S | C | . | . | trans | 164.2 | 130.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R788 M792 N793 I794 | R788-G790 PolarHBondContact O-N 3.08Å; R788-G790 VanDerWaalsContact O-N 3.14Å; G790-M792 VanDerWaalsContact C-N 3.3Å; G790-M792 PolarHBondContact O-N 2.86Å; G790-N793 PolarHBondContact O-N 3.35Å; G790-I794 VanDerWaalsContact O-CD1 3.27Å; G790-I794 WeakPolarHBondContact O-CD1 3.19Å; G790-I794 VanDerWaalsContact O-CG1 3.26Å; G790-I794 WeakPolarHBondContact O-CG1 3.33Å; G790-I794 PolarHBondContact O-N 3.05Å | ||
| 791 | E | 72.4 | Confident | 77.4 | Confident | 85 Ų | 85 | 39.3 Ų | 39.3 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -51.4 | -48.7 | -175.6 | -169.5 | -168.9 | 143.6 | 0 | 0 | 111.7 | N793 I794 M795 K847 W849 | E791-N793 PolarHBondContact O-N 2.83Å; E791-I794 PolarHBondContact O-N 3.43Å; E791-M795 HydrophobicContact CG-CG 4.42Å; E791-M795 HydrophobicContact CG-SD 3.87Å; E791-M795 VanDerWaalsContact O-CG 3.29Å; E791-M795 WeakPolarHBondContact O-CG 3.36Å; E791-M795 PolarHBondContact O-N 2.9Å; E791-K847 WeakPolarHBondContact OE1-CD 3.44Å; E791-K847 WeakPolarHBondContact OE1-CE 3.09Å; E791-K847 IonicContact OE1-NZ 3.56Å; E791-K847 PolarHBondContact OE1-NZ 2.92Å; E791-K847 IonicContact OE2-NZ 3.91Å; E791-K847 PolarHBondContact OE2-NZ 3Å; E791-W849 HydrophobicContact CG-CH2 4.16Å; E791-W849 HydrophobicContact CG-CZ2 3.92Å |
| 792 | M | 76.1 | Confident | 77.7 | Confident | 72 Ų | 72 | 39 Ų | 39 | 36% | 0.355 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -43.7 | -176.7 | -171 | 57.7 | 70.5 | 0 | 0 | 113.1 | L645 G790 I794 M795 R796 | L645-M792 HydrophobicContact CD1-SD 3.58Å; L645-M792 VanDerWaalsContact CD1-SD 3.58Å; L645-M792 HydrophobicContact CG-SD 4.24Å; G790-M792 VanDerWaalsContact C-N 3.3Å; G790-M792 PolarHBondContact O-N 2.86Å; M792-I794 VanDerWaalsContact C-N 3.25Å; M792-I794 PolarHBondContact O-N 2.88Å; M792-M795 PolarHBondContact O-N 3.13Å; M792-R796 WeakPolarHBondContact O-CG 3.47Å; M792-R796 PolarHBondContact O-N 2.96Å |
| 793 | N | 73 | Confident | 78.4 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 179.2 | -77.4 | -27.7 | 0 | 0 | 0 | 111.3 | D638 Y639 I787 G790 E791 Q797 | D638-N793 PolarHBondContact OD1-ND2 3.31Å; Y639-N793 PolarHBondContact N-OD1 3.37Å; I787-N793 HydrophobicContact CG2-CB 3.69Å; G790-N793 PolarHBondContact O-N 3.35Å; E791-N793 PolarHBondContact O-N 2.83Å; N793-Q797 VanDerWaalsContact O-CG 3.22Å; N793-Q797 WeakPolarHBondContact O-CG 3.5Å; N793-Q797 PolarHBondContact O-N 3.35Å |
| 794 | I | 76.7 | Confident | 78.8 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.7 | -47.2 | 178.3 | -55 | 156.5 | 0 | 0 | 0 | 110.6 | I787 G790 E791 M792 R796 Q797 I798 V804 W849 I873 | I787-I794 HydrophobicContact CG2-CG1 4.22Å; G790-I794 VanDerWaalsContact O-CD1 3.27Å; G790-I794 WeakPolarHBondContact O-CD1 3.19Å; G790-I794 VanDerWaalsContact O-CG1 3.26Å; G790-I794 WeakPolarHBondContact O-CG1 3.33Å; G790-I794 PolarHBondContact O-N 3.05Å; E791-I794 PolarHBondContact O-N 3.43Å; M792-I794 VanDerWaalsContact C-N 3.25Å; M792-I794 PolarHBondContact O-N 2.88Å; I794-R796 VanDerWaalsContact C-N 3.29Å; I794-R796 PolarHBondContact O-N 3.38Å; I794-Q797 PolarHBondContact O-N 3.38Å; I794-I798 HydrophobicContact CG2-CD1 3.82Å; I794-I798 HydrophobicContact CG2-CG1 4.44Å; I794-I798 WeakPolarHBondContact O-CG1 3.27Å; I794-I798 PolarHBondContact O-N 3.43Å; I794-V804 HydrophobicContact CG2-CG2 4.14Å; I794-W849 HydrophobicContact CB-CH2 3.58Å; I794-W849 HydrophobicContact CB-CZ2 4.09Å; I794-W849 HydrophobicContact CB-CZ3 4.25Å; I794-W849 HydrophobicContact CD1-CH2 4.2Å; I794-W849 HydrophobicContact CD1-CZ2 3.81Å; I794-W849 HydrophobicContact CG2-CE3 4.4Å; I794-W849 HydrophobicContact CG2-CH2 3.48Å; I794-W849 VanDerWaalsContact CG2-CH2 3.48Å; I794-W849 HydrophobicContact CG2-CZ2 4.04Å; I794-W849 HydrophobicContact CG2-CZ3 3.69Å; I794-I873 HydrophobicContact CB-CD1 4.18Å; I794-I873 HydrophobicContact CD1-CD1 3.13Å; I794-I873 HydrophobicContact CG1-CD1 3.3Å; I794-I873 HydrophobicContact CG2-CD1 3.8Å |
| 795 | M | 84.1 | Confident | 79.3 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.4 | -43.2 | 177.5 | -68.1 | 168.7 | 80.1 | 0 | 0 | 110.8 | L645 E791 M792 Q797 I798 N799 W840 W849 | L645-M795 HydrophobicContact CB-CE 4.36Å; L645-M795 HydrophobicContact CD1-CB 3.45Å; L645-M795 VanDerWaalsContact CD1-CB 3.45Å; L645-M795 HydrophobicContact CD1-CE 4.49Å; E791-M795 HydrophobicContact CG-CG 4.42Å; E791-M795 HydrophobicContact CG-SD 3.87Å; E791-M795 VanDerWaalsContact O-CG 3.29Å; E791-M795 WeakPolarHBondContact O-CG 3.36Å; E791-M795 PolarHBondContact O-N 2.9Å; M792-M795 PolarHBondContact O-N 3.13Å; M795-Q797 PolarHBondContact O-N 3.29Å; M795-I798 PolarHBondContact O-N 3.45Å; M795-N799 VanDerWaalsContact O-CB 3.26Å; M795-N799 WeakPolarHBondContact O-CB 3.08Å; M795-N799 PolarHBondContact O-N 3Å; M795-W840 HydrophobicContact CB-CD2 4.41Å; M795-W840 HydrophobicContact CB-CE3 4.29Å; M795-W840 HydrophobicContact CB-CH2 4.03Å; M795-W840 HydrophobicContact CB-CZ2 4.17Å; M795-W840 HydrophobicContact CB-CZ3 4.13Å; M795-W840 HydrophobicContact CE-CD2 4.13Å; M795-W840 VanDerWaalsContact CE-CE2 3.46Å; M795-W840 HydrophobicContact CE-CG 4.24Å; M795-W840 HydrophobicContact CE-CZ2 3.84Å; M795-W840 HydrophobicContact CG-CD2 3.98Å; M795-W840 HydrophobicContact CG-CE3 4.2Å; M795-W840 HydrophobicContact CG-CG 4.35Å; M795-W840 HydrophobicContact CG-CZ2 4.43Å; M795-W840 VanDerWaalsContact O-CH2 3.31Å; M795-W840 WeakPolarHBondContact O-CH2 3.23Å; M795-W840 VanDerWaalsContact O-CZ3 3.28Å; M795-W840 WeakPolarHBondContact O-CZ3 3.06Å; M795-W849 HydrophobicContact CG-CH2 3.68Å; M795-W849 HydrophobicContact CG-CZ3 3.9Å |
| 796 | R | 82.9 | Confident | 79.7 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 175.7 | -75.4 | -173.9 | -177.2 | 139.4 | 20.6 | 112.3 | Y639 L641 E643 L645 M792 I794 I798 N799 Q800 | Y639-R796 PolarHBondContact O-NH1 3.46Å; L641-R796 PolarHBondContact O-NH1 3.36Å; L641-R796 PolarHBondContact O-NH2 2.64Å; E643-R796 IonicContact OE2-NE 3.2Å; L645-R796 HydrophobicContact CD1-CG 3.75Å; L645-R796 HydrophobicContact CD2-CG 4.45Å; M792-R796 WeakPolarHBondContact O-CG 3.47Å; M792-R796 PolarHBondContact O-N 2.96Å; I794-R796 VanDerWaalsContact C-N 3.29Å; I794-R796 PolarHBondContact O-N 3.38Å; R796-I798 VanDerWaalsContact C-N 3.31Å; R796-I798 PolarHBondContact O-N 3.09Å; R796-N799 WeakPolarHBondContact O-CB 3.45Å; R796-N799 PolarHBondContact O-N 2.92Å; R796-N799 VanDerWaalsContact O-N 3.13Å; R796-Q800 WeakPolarHBondContact O-CB 3.17Å; R796-Q800 PolarHBondContact O-N 3.21Å |
| 797 | Q | 85.4 | Confident | 80 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -38.2 | -178.1 | -72.2 | -67.4 | -45.9 | 0 | 0 | 111.9 | Y639 R686 Y785 I787 N793 I794 M795 Y801 G802 V804 | Y639-Q797 PolarHBondContact OH-NE2 3.05Å; Y639-Q797 VanDerWaalsContact OH-NE2 3.07Å; R686-Q797 PolarHBondContact NH2-O 3.49Å; Y785-Q797 PolarHBondContact OH-OE1 2.84Å; I787-Q797 HydrophobicContact CD1-CB 3.38Å; I787-Q797 HydrophobicContact CD1-CG 3.39Å; I787-Q797 HydrophobicContact CG1-CB 4.47Å; I787-Q797 HydrophobicContact CG1-CG 3.98Å; I787-Q797 HydrophobicContact CG2-CG 4.48Å; N793-Q797 VanDerWaalsContact O-CG 3.22Å; N793-Q797 WeakPolarHBondContact O-CG 3.5Å; N793-Q797 PolarHBondContact O-N 3.35Å; I794-Q797 PolarHBondContact O-N 3.38Å; M795-Q797 PolarHBondContact O-N 3.29Å; Q797-Y801 PolarHBondContact O-N 3.24Å; Q797-G802 PolarHBondContact O-N 2.88Å; Q797-V804 HydrophobicContact CB-CG1 4.29Å |
| 798 | I | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | 171.9 | -62.6 | 165.5 | 0 | 0 | 0 | 110.7 | L649 W655 I794 M795 R796 G802 V804 I837 W840 W849 | L649-I798 HydrophobicContact CD2-CG2 3.68Å; W655-I798 VanDerWaalsContact CH2-O 3.25Å; W655-I798 WeakPolarHBondContact CH2-O 3.15Å; I794-I798 HydrophobicContact CG2-CD1 3.82Å; I794-I798 HydrophobicContact CG2-CG1 4.44Å; I794-I798 WeakPolarHBondContact O-CG1 3.27Å; I794-I798 PolarHBondContact O-N 3.43Å; M795-I798 PolarHBondContact O-N 3.45Å; R796-I798 VanDerWaalsContact C-N 3.31Å; R796-I798 PolarHBondContact O-N 3.09Å; I798-G802 WeakPolarHBondContact CA-O 3.46Å; I798-G802 WeakPolarHBondContact O-CA 3.29Å; I798-G802 PolarHBondContact O-N 2.83Å; I798-V804 HydrophobicContact CD1-CG2 3.89Å; I798-V804 HydrophobicContact CG1-CB 4.33Å; I798-V804 HydrophobicContact CG1-CG1 3.62Å; I798-V804 HydrophobicContact CG1-CG2 3.76Å; I798-I837 HydrophobicContact CD1-CB 4.2Å; I798-I837 HydrophobicContact CD1-CG2 3.57Å; I798-W840 HydrophobicContact CB-CE3 4.22Å; I798-W840 HydrophobicContact CB-CZ3 3.71Å; I798-W840 HydrophobicContact CD1-CE3 4.29Å; I798-W840 HydrophobicContact CG2-CE3 4.06Å; I798-W840 HydrophobicContact CG2-CZ3 3.67Å; I798-W849 HydrophobicContact CD1-CE3 4.16Å; I798-W849 HydrophobicContact CD1-CZ3 3.86Å |
| 799 | N | 91.5 | Very high | 81.2 | Confident | 34 Ų | 34 | 26.6 Ų | 26.6 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.6 | -47.9 | 179.6 | -168.4 | 45.6 | 0 | 0 | 0 | 111.9 | L645 L649 K654 W655 M795 R796 W840 | L645-N799 HydrophobicContact CD2-CB 4.01Å; L645-N799 WeakPolarHBondContact CD2-ND2 3.28Å; L649-N799 HydrophobicContact CD1-CB 4.21Å; L649-N799 VanDerWaalsContact CD1-OD1 3.26Å; L649-N799 WeakPolarHBondContact CD1-OD1 3.44Å; K654-N799 PolarHBondContact NZ-O 2.92Å; K654-N799 PolarHBondContact NZ-OD1 3.23Å; W655-N799 WeakPolarHBondContact CH2-O 3.31Å; W655-N799 WeakPolarHBondContact CZ2-O 3.36Å; M795-N799 VanDerWaalsContact O-CB 3.26Å; M795-N799 WeakPolarHBondContact O-CB 3.08Å; M795-N799 PolarHBondContact O-N 3Å; R796-N799 WeakPolarHBondContact O-CB 3.45Å; R796-N799 PolarHBondContact O-N 2.92Å; R796-N799 VanDerWaalsContact O-N 3.13Å; N799-W840 HydrophobicContact CB-CH2 3.98Å |
| 800 | Q | 88.6 | Confident | 82.5 | Confident | 106 Ų | 106 | 23.1 Ų | 23.1 | 50% | 0.495 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -84.7 | -41.9 | -170.1 | -169.1 | 173.2 | 15.8 | 0 | 0 | 112.1 | R796 | R796-Q800 WeakPolarHBondContact O-CB 3.17Å; R796-Q800 PolarHBondContact O-N 3.21Å |
| 801 | Y | 90.2 | Very high | 83.4 | Confident | 53 Ų | 53 | 25.3 Ų | 25.3 | 21% | 0.208 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -118.2 | -7.2 | -169 | -54.5 | -72.6 | 0 | 0 | 0 | 113.8 | R686 Q797 | R686-Y801 WeakPolarHBondContact CG-O 3.26Å; Q797-Y801 PolarHBondContact O-N 3.24Å |
| 802 | G | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | 88.2 | -163.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R686 Q797 I798 | R686-G802 PolarHBondContact NH2-O 3.36Å; Q797-G802 PolarHBondContact O-N 2.88Å; I798-G802 WeakPolarHBondContact CA-O 3.46Å; I798-G802 WeakPolarHBondContact O-CA 3.29Å; I798-G802 PolarHBondContact O-N 2.83Å | ||
| 803 | P | 95.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -49 | 152.1 | -167.1 | -32 | 37.8 | 0 | 0 | 0 | 116.3 | A651 I662 V682 D685 R686 R836 I837 I838 | A651-P803 HydrophobicContact CB-CG 4.05Å; I662-P803 HydrophobicContact CG2-CG 4.49Å; V682-P803 WeakPolarHBondContact CG1-O 3.28Å; V682-P803 HydrophobicContact CG2-CB 4.48Å; D685-P803 HydrophobicContact CB-CB 4.36Å; D685-P803 HydrophobicContact CB-CG 3.97Å; R686-P803 PolarHBondContact NE-O 2.99Å; R686-P803 PolarHBondContact NH2-O 2.94Å; P803-R836 HydrophobicContact CB-CG 4Å; P803-I837 CarbonylContact C-O 3.49Å; P803-I837 WeakPolarHBondContact CA-O 3.48Å; P803-I837 VanDerWaalsContact CB-O 3.32Å; P803-I837 WeakPolarHBondContact CB-O 3.15Å; P803-I838 HydrophobicContact CB-CG2 4.12Å; P803-I838 HydrophobicContact CG-CB 4.35Å; P803-I838 HydrophobicContact CG-CG2 3.98Å | ||
| 804 | V | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 156.7 | -175.1 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | R686 I787 I794 Q797 I798 R836 I837 I873 T875 | R686-V804 VanDerWaalsContact NH2-CG1 3.29Å; I787-V804 HydrophobicContact CD1-CG1 4.2Å; I794-V804 HydrophobicContact CG2-CG2 4.14Å; Q797-V804 HydrophobicContact CB-CG1 4.29Å; I798-V804 HydrophobicContact CD1-CG2 3.89Å; I798-V804 HydrophobicContact CG1-CB 4.33Å; I798-V804 HydrophobicContact CG1-CG1 3.62Å; I798-V804 HydrophobicContact CG1-CG2 3.76Å; V804-R836 CarbonylContact O-C 2.92Å; V804-R836 WeakPolarHBondContact O-CA 3.47Å; V804-I837 HydrophobicContact CG2-CB 3.71Å; V804-I837 HydrophobicContact CG2-CD1 4.19Å; V804-I837 HydrophobicContact CG2-CG1 4.17Å; V804-I837 PolarHBondContact N-O 3.11Å; V804-I837 PolarHBondContact O-N 3.16Å; V804-I873 HydrophobicContact CB-CG2 4.15Å; V804-I873 HydrophobicContact CG2-CG2 4.14Å; V804-T875 HydrophobicContact CB-CG2 3.31Å; V804-T875 HydrophobicContact CG1-CG2 3.31Å |
| 805 | I | 89 | Confident | 85.6 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.8 | 175.1 | -47.6 | 163.9 | 0 | 0 | 0 | 108.6 | A679 V682 P720 L724 A834 V835 I873 C874 | A679-I805 HydrophobicContact CB-CD1 3.82Å; V682-I805 HydrophobicContact CB-CD1 4.39Å; V682-I805 HydrophobicContact CB-CG1 3.75Å; V682-I805 HydrophobicContact CG1-CG1 4.07Å; V682-I805 HydrophobicContact CG2-CG1 3.56Å; P720-I805 HydrophobicContact CB-CD1 4.42Å; P720-I805 HydrophobicContact CB-CG2 3.97Å; P720-I805 HydrophobicContact CG-CG2 4.33Å; L724-I805 HydrophobicContact CD1-CD1 4.17Å; L724-I805 HydrophobicContact CD2-CD1 3.68Å; L724-I805 HydrophobicContact CG-CD1 4.1Å; I805-A834 HydrophobicContact CG2-CB 4.49Å; I805-V835 WeakPolarHBondContact CA-O 3.47Å; I805-I873 WeakPolarHBondContact O-CA 3.46Å; I805-I873 WeakPolarHBondContact O-CG2 3.35Å; I805-C874 PolarHBondContact O-N 2.97Å |
| 806 | A | 84 | Confident | 86 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A834 V835 I837 L869 I873 | A806-A834 CarbonylContact O-C 3.56Å; A806-A834 WeakPolarHBondContact O-CA 3.31Å; A806-V835 HydrophobicContact CB-CG2 4.21Å; A806-V835 PolarHBondContact N-O 2.84Å; A806-V835 PolarHBondContact O-N 2.76Å; A806-I837 HydrophobicContact CB-CD1 3.54Å; A806-I837 HydrophobicContact CB-CG1 3.81Å; A806-L869 HydrophobicContact CB-CD1 4.49Å; A806-I873 HydrophobicContact CB-CD1 4.35Å; A806-I873 HydrophobicContact CB-CG1 3.85Å |
| 807 | I | 80 | Confident | 86.4 | Confident | 13 Ų | 13 | 16 Ų | 16 | 7% | 0.067 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.9 | 171.4 | -59.3 | 167.8 | 0 | 0 | 0 | 108.1 | V622 F624 P720 N832 H833 A834 S871 L872 | V622-I807 HydrophobicContact CB-CG2 4.45Å; V622-I807 HydrophobicContact CG1-CD1 4.08Å; V622-I807 HydrophobicContact CG1-CG1 4.43Å; V622-I807 HydrophobicContact CG1-CG2 3.89Å; V622-I807 HydrophobicContact CG2-CG2 4.35Å; F624-I807 HydrophobicContact CE1-CD1 4.43Å; F624-I807 HydrophobicContact CZ-CG2 4.04Å; P720-I807 HydrophobicContact CG-CD1 3.92Å; P720-I807 HydrophobicContact CG-CG1 4.09Å; I807-N832 HydrophobicContact CG2-CB 4.21Å; I807-H833 WeakPolarHBondContact CA-O 3.21Å; I807-A834 HydrophobicContact CG1-CB 4.36Å; I807-S871 WeakPolarHBondContact O-CB 3.09Å; I807-L872 PolarHBondContact N-O 2.82Å |
| 808 | F | 73.9 | Confident | 86.7 | Confident | 13 Ų | 13 | 19.3 Ų | 19.3 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.3 | 177.2 | 74.6 | -71.1 | 0 | 0 | 0 | 111.7 | V810 F814 N832 H833 V835 L869 | F808-V810 HydrophobicContact CD2-CG2 4.29Å; F808-V810 HydrophobicContact CE1-CG2 4.33Å; F808-V810 HydrophobicContact CE2-CG2 3.6Å; F808-V810 HydrophobicContact CZ-CG2 3.62Å; F808-F814 HydrophobicContact CE2-CE1 4.24Å; F808-F814 HydrophobicContact CE2-CE2 4.25Å; F808-F814 HydrophobicContact CE2-CZ 4.04Å; F808-F814 AromaticContact CZ-CE1 3.79Å; F808-F814 HydrophobicContact CZ-CE1 3.79Å; F808-F814 HydrophobicContact CZ-CE2 4.28Å; F808-F814 AromaticContact CZ-CZ 3.64Å; F808-F814 HydrophobicContact CZ-CZ 3.64Å; F808-N832 WeakPolarHBondContact O-CA 3.21Å; F808-H833 HydrophobicContact CD1-CB 4.48Å; F808-H833 WeakPolarHBondContact CD1-O 3.39Å; F808-H833 HydrophobicContact CE1-CB 3.93Å; F808-H833 AromaticContact CE1-CD2 3.85Å; F808-H833 HydrophobicContact CZ-CB 4.31Å; F808-H833 PolarHBondContact N-O 3.47Å; F808-H833 PolarHBondContact O-N 2.89Å; F808-V835 HydrophobicContact CD1-CG1 4.46Å; F808-V835 HydrophobicContact CD1-CG2 3.84Å; F808-V835 HydrophobicContact CE1-CB 4.33Å; F808-V835 HydrophobicContact CE1-CG1 3.61Å; F808-V835 HydrophobicContact CE1-CG2 3.78Å; F808-V835 HydrophobicContact CZ-CG1 4.44Å; F808-L869 HydrophobicContact CB-CD2 3.79Å; F808-L869 HydrophobicContact CD1-CD2 4.16Å; F808-L869 HydrophobicContact CD2-CD2 3.69Å; F808-L869 HydrophobicContact CE2-CD2 4.32Å; F808-L869 HydrophobicContact CG-CD2 3.61Å |
| 809 | A | 74.1 | Confident | 86.7 | Confident | 28 Ų | 28 | 20.5 Ų | 20.5 | 23% | 0.231 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | Y811 K829 | A809-Y811 HydrophobicContact CB-CE2 4.16Å; A809-K829 HydrophobicContact CB-CD 3.93Å; A809-K829 HydrophobicContact CB-CG 4.19Å |
| 810 | V | 80.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.8 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | L620 F808 F814 I830 G831 H833 | L620-V810 HydrophobicContact CD1-CB 4.01Å; L620-V810 HydrophobicContact CD1-CG1 4.07Å; L620-V810 HydrophobicContact CD2-CB 4.03Å; L620-V810 HydrophobicContact CD2-CG1 4.03Å; L620-V810 HydrophobicContact CD2-CG2 3.89Å; F808-V810 HydrophobicContact CD2-CG2 4.29Å; F808-V810 HydrophobicContact CE1-CG2 4.33Å; F808-V810 HydrophobicContact CE2-CG2 3.6Å; F808-V810 HydrophobicContact CZ-CG2 3.62Å; V810-F814 HydrophobicContact CG1-CB 4.05Å; V810-F814 HydrophobicContact CG1-CD1 3.75Å; V810-F814 HydrophobicContact CG1-CG 4.26Å; V810-F814 HydrophobicContact CG2-CD1 4.14Å; V810-F814 HydrophobicContact CG2-CE1 4.35Å; V810-I830 PolarHBondContact O-N 3.18Å; V810-G831 PolarHBondContact N-O 3.44Å; V810-H833 HydrophobicContact CG2-CB 3.44Å; V810-H833 VanDerWaalsContact CG2-CB 3.44Å |
| 811 | Y | 78.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 14.9 Ų | 14.9 | 31% | 0.314 | 8% | 0.077 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 159.5 | 174.3 | -63.8 | -96.2 | 0 | 0 | 0 | 110.9 | A809 D813 F814 H824 G828 K829 | A809-Y811 HydrophobicContact CB-CE2 4.16Å; Y811-D813 VanDerWaalsContact C-N 3.29Å; Y811-D813 PolarHBondContact O-N 3.01Å; Y811-F814 WeakPolarHBondContact O-CB 3.43Å; Y811-F814 PolarHBondContact O-N 3.24Å; Y811-F814 VanDerWaalsContact O-N 3.07Å; Y811-H824 VanDerWaalsContact CB-ND1 3.31Å; Y811-H824 WeakPolarHBondContact CB-ND1 3.43Å; Y811-H824 AromaticContact CD1-CD2 3.92Å; Y811-H824 AromaticContact CD1-CE1 3.44Å; Y811-H824 VanDerWaalsContact CD1-CE1 3.44Å; Y811-H824 WeakPolarHBondContact CD1-CE1 3.37Å; Y811-H824 AromaticContact CD1-ND1 3.82Å; Y811-H824 AromaticContact CD1-NE2 3.53Å; Y811-H824 HydrophobicContact CD2-CB 4.24Å; Y811-H824 AromaticContact CD2-CG 3.95Å; Y811-H824 AromaticContact CE1-NE2 3.89Å; Y811-H824 HydrophobicContact CG-CB 4.49Å; Y811-H824 AromaticContact CG-CE1 3.59Å; Y811-H824 AromaticContact CG-CG 3.76Å; Y811-H824 AromaticContact CG-ND1 3.47Å; Y811-H824 AromaticContact CG-NE2 4Å; Y811-G828 VanDerWaalsContact CA-O 3.29Å; Y811-G828 WeakPolarHBondContact CA-O 3.48Å; Y811-K829 HydrophobicContact CD1-CB 4.29Å; Y811-K829 HydrophobicContact CE1-CB 4.08Å |
| 812 | S | 82 | Confident | 86.1 | Confident | 6 Ų | 6 | 13 Ų | 13 | 4% | 0.042 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -62.8 | -29.4 | -173.4 | 78.2 | 0 | 0 | 0 | 0 | 114.9 | H581 F814 Y815 Y816 G827 G828 I830 | H581-S812 WeakPolarHBondContact NE2-CB 2.96Å; H581-S812 PolarHBondContact NE2-OG 3.39Å; S812-F814 PolarHBondContact O-N 3Å; S812-Y815 WeakPolarHBondContact O-CD2 3.44Å; S812-Y816 WeakPolarHBondContact O-CE2 3.43Å; S812-G827 VanDerWaalsContact OG-CA 3.25Å; S812-G827 WeakPolarHBondContact OG-CA 3.45Å; S812-G828 PolarHBondContact N-O 2.99Å; S812-G828 VanDerWaalsContact N-O 3.09Å; S812-I830 VanDerWaalsContact CB-CD1 3.49Å |
| 813 | D | 82.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | G | 310 helix | trans | -67.6 | -20.3 | 175.5 | 61.9 | -0.8 | 0 | 0 | 0 | 113.9 | L585 W600 Y811 Y815 Y816 Y822 H824 K825 K826 | L585-D813 HydrophobicContact CD1-CB 4.41Å; W600-D813 HydrophobicContact CH2-CB 4.33Å; Y811-D813 VanDerWaalsContact C-N 3.29Å; Y811-D813 PolarHBondContact O-N 3.01Å; D813-Y815 VanDerWaalsContact C-N 3.28Å; D813-Y815 PolarHBondContact O-N 3.23Å; D813-Y816 PolarHBondContact O-N 3.05Å; D813-Y816 VanDerWaalsContact O-N 3.09Å; D813-Y822 PolarHBondContact OD1-OH 2.87Å; D813-H824 IonicContact OD1-CE1 3.91Å; D813-H824 IonicContact OD1-ND1 2.64Å; D813-H824 PolarHBondContact OD1-ND1 3.15Å; D813-H824 VanDerWaalsContact OD1-ND1 3.11Å; D813-H824 IonicContact OD2-CE1 3.23Å; D813-H824 IonicContact OD2-CG 2.66Å; D813-H824 IonicContact OD2-ND1 3.64Å; D813-H824 PolarHBondContact OD2-ND1 3.48Å; D813-H824 VanDerWaalsContact OD2-ND1 3.11Å; D813-K825 PolarHBondContact OD2-N 3.42Å; D813-K826 WeakPolarHBondContact CB-O 3.45Å; D813-K826 PolarHBondContact OD2-N 3.42Å |
| 814 | F | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -63.5 | -30 | -177.3 | -173.6 | -114.6 | 0 | 0 | 0 | 113.5 | F808 V810 Y811 S812 Y816 Y817 Y822 W855 W859 L865 | F808-F814 HydrophobicContact CE2-CE1 4.24Å; F808-F814 HydrophobicContact CE2-CE2 4.25Å; F808-F814 HydrophobicContact CE2-CZ 4.04Å; F808-F814 AromaticContact CZ-CE1 3.79Å; F808-F814 HydrophobicContact CZ-CE1 3.79Å; F808-F814 HydrophobicContact CZ-CE2 4.28Å; F808-F814 AromaticContact CZ-CZ 3.64Å; F808-F814 HydrophobicContact CZ-CZ 3.64Å; V810-F814 HydrophobicContact CG1-CB 4.05Å; V810-F814 HydrophobicContact CG1-CD1 3.75Å; V810-F814 HydrophobicContact CG1-CG 4.26Å; V810-F814 HydrophobicContact CG2-CD1 4.14Å; V810-F814 HydrophobicContact CG2-CE1 4.35Å; Y811-F814 WeakPolarHBondContact O-CB 3.43Å; Y811-F814 PolarHBondContact O-N 3.24Å; Y811-F814 VanDerWaalsContact O-N 3.07Å; S812-F814 PolarHBondContact O-N 3Å; F814-Y816 PolarHBondContact O-N 3.08Å; F814-Y816 VanDerWaalsContact O-N 3.13Å; F814-Y817 WeakPolarHBondContact O-CB 3.38Å; F814-Y817 PolarHBondContact O-N 2.89Å; F814-Y822 HydrophobicContact CB-CE2 4.3Å; F814-Y822 AromaticContact CD2-CD1 3.93Å; F814-Y822 HydrophobicContact CD2-CD1 3.93Å; F814-Y822 HydrophobicContact CD2-CD2 4.15Å; F814-Y822 AromaticContact CD2-CE1 3.68Å; F814-Y822 HydrophobicContact CD2-CE1 3.68Å; F814-Y822 AromaticContact CD2-CE2 3.91Å; F814-Y822 HydrophobicContact CD2-CE2 3.91Å; F814-Y822 HydrophobicContact CD2-CG 4.16Å; F814-Y822 AromaticContact CD2-CZ 3.68Å; F814-Y822 HydrophobicContact CE2-CD1 4.21Å; F814-Y822 HydrophobicContact CE2-CE1 4.33Å; F814-Y822 HydrophobicContact CE2-CG 4.47Å; F814-W855 AromaticContact CD1-CH2 3.59Å; F814-W855 HydrophobicContact CD1-CH2 3.59Å; F814-W855 AromaticContact CD1-CZ3 3.75Å; F814-W855 HydrophobicContact CD1-CZ3 3.75Å; F814-W855 AromaticContact CE1-CH2 3.54Å; F814-W855 HydrophobicContact CE1-CH2 3.54Å; F814-W855 HydrophobicContact CE1-CZ2 4.46Å; F814-W855 AromaticContact CE1-CZ3 3.54Å; F814-W855 HydrophobicContact CE1-CZ3 3.54Å; F814-W859 HydrophobicContact CD1-CZ2 4.2Å; F814-W859 HydrophobicContact CD2-CZ2 4.28Å; F814-W859 AromaticContact CE1-CH2 3.95Å; F814-W859 HydrophobicContact CE1-CH2 3.95Å; F814-W859 AromaticContact CE1-CZ2 3.7Å; F814-W859 HydrophobicContact CE1-CZ2 3.7Å; F814-W859 AromaticContact CE2-CH2 3.81Å; F814-W859 HydrophobicContact CE2-CH2 3.81Å; F814-W859 AromaticContact CE2-CZ2 3.79Å; F814-W859 HydrophobicContact CE2-CZ2 3.79Å; F814-W859 HydrophobicContact CG-CZ2 4.48Å; F814-W859 AromaticContact CZ-CH2 3.36Å; F814-W859 HydrophobicContact CZ-CH2 3.36Å; F814-W859 AromaticContact CZ-CZ2 3.47Å; F814-W859 HydrophobicContact CZ-CZ2 3.47Å; F814-W859 VanDerWaalsContact CZ-CZ2 3.47Å; F814-W859 PolarHBondContact O-NE1 3.43Å; F814-L865 HydrophobicContact CE2-CD1 3.84Å; F814-L865 HydrophobicContact CE2-CD2 3.58Å; F814-L865 HydrophobicContact CE2-CG 4.32Å; F814-L865 HydrophobicContact CZ-CD2 3.77Å |
| 815 | Y | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.5 | 176.7 | -59.8 | -58.7 | 0 | 0 | 0 | 113.3 | Y578 N605 F608 M616 S812 D813 I830 W855 | Y578-Y815 PolarHBondContact OH-O 2.77Å; N605-Y815 PolarHBondContact ND2-O 3.22Å; F608-Y815 HydrophobicContact CD2-CD1 4.33Å; F608-Y815 WeakPolarHBondContact CD2-O 3.22Å; F608-Y815 HydrophobicContact CE1-CD1 4.1Å; F608-Y815 HydrophobicContact CE1-CE1 4.5Å; F608-Y815 AromaticContact CE2-CD1 3.73Å; F608-Y815 HydrophobicContact CE2-CD1 3.73Å; F608-Y815 HydrophobicContact CE2-CG 4.27Å; F608-Y815 AromaticContact CZ-CD1 3.61Å; F608-Y815 HydrophobicContact CZ-CD1 3.61Å; F608-Y815 HydrophobicContact CZ-CE1 4.29Å; M616-Y815 HydrophobicContact CB-CE1 3.97Å; M616-Y815 HydrophobicContact CB-CE2 4.14Å; M616-Y815 HydrophobicContact CE-CD2 4.39Å; M616-Y815 HydrophobicContact CE-CE2 4.4Å; M616-Y815 HydrophobicContact SD-CD1 4.27Å; M616-Y815 HydrophobicContact SD-CD2 3.97Å; M616-Y815 HydrophobicContact SD-CE2 4.19Å; M616-Y815 HydrophobicContact SD-CG 4Å; S812-Y815 WeakPolarHBondContact O-CD2 3.44Å; D813-Y815 VanDerWaalsContact C-N 3.28Å; D813-Y815 PolarHBondContact O-N 3.23Å; Y815-I830 HydrophobicContact CD2-CD1 4.28Å; Y815-I830 HydrophobicContact CE2-CD1 3.39Å; Y815-W855 AromaticContact CD1-CH2 3.76Å; Y815-W855 HydrophobicContact CD1-CH2 3.76Å; Y815-W855 HydrophobicContact CD1-CZ3 4.08Å; Y815-W855 AromaticContact CE1-CH2 3.73Å; Y815-W855 HydrophobicContact CE1-CH2 3.73Å; Y815-W855 HydrophobicContact CE1-CZ2 4.23Å; Y815-W855 HydrophobicContact CE1-CZ3 4.49Å |
| 816 | Y | 92.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -104.4 | 6.9 | -176.9 | -51.8 | -75.3 | 0 | 0 | 0 | 113.4 | Y578 H581 Y582 L585 F602 G603 L604 S812 D813 F814 K818 | Y578-Y816 HydrophobicContact CD2-CD1 4.43Å; Y578-Y816 AromaticContact CD2-CE1 3.53Å; Y578-Y816 HydrophobicContact CD2-CE1 3.53Å; Y578-Y816 AromaticContact CD2-CZ 3.78Å; Y578-Y816 HydrophobicContact CE1-CE1 4.34Å; Y578-Y816 AromaticContact CE2-CD1 3.54Å; Y578-Y816 HydrophobicContact CE2-CD1 3.54Å; Y578-Y816 AromaticContact CE2-CE1 3.05Å; Y578-Y816 HydrophobicContact CE2-CE1 3.05Å; Y578-Y816 HydrophobicContact CE2-CG 4.44Å; Y578-Y816 AromaticContact CE2-CZ 3.64Å; Y578-Y816 HydrophobicContact CG-CE1 4.33Å; Y578-Y816 AromaticContact CZ-CD1 3.71Å; Y578-Y816 AromaticContact CZ-CE1 3.52Å; Y578-Y816 WeakPolarHBondContact O-CE1 3.33Å; Y578-Y816 PolarHBondContact O-OH 3.06Å; H581-Y816 WeakPolarHBondContact CB-OH 3.45Å; H581-Y816 AromaticContact CD2-CE2 3.69Å; H581-Y816 AromaticContact CD2-CZ 3.96Å; H581-Y816 PolarHBondContact CD2-OH 3.01Å; Y582-Y816 AromaticContact CD2-CD1 3.64Å; Y582-Y816 HydrophobicContact CD2-CD1 3.64Å; Y582-Y816 AromaticContact CD2-CE1 3.98Å; Y582-Y816 HydrophobicContact CD2-CE1 3.98Å; Y582-Y816 HydrophobicContact CD2-CG 4.36Å; Y582-Y816 HydrophobicContact CG-CD1 4.35Å; Y582-Y816 HydrophobicContact CG-CE1 4.24Å; Y582-Y816 PolarHBondContact N-OH 3.36Å; L585-Y816 HydrophobicContact CD1-CD2 3.83Å; L585-Y816 HydrophobicContact CD1-CE2 3.67Å; F602-Y816 HydrophobicContact CD2-CG 4.33Å; F602-Y816 HydrophobicContact CE2-CD1 4.42Å; F602-Y816 AromaticContact CE2-CD2 3.69Å; F602-Y816 HydrophobicContact CE2-CD2 3.69Å; F602-Y816 AromaticContact CE2-CG 3.52Å; F602-Y816 HydrophobicContact CE2-CG 3.52Å; F602-Y816 HydrophobicContact CZ-CD1 4.35Å; F602-Y816 HydrophobicContact CZ-CD2 4.14Å; F602-Y816 AromaticContact CZ-CG 3.85Å; F602-Y816 HydrophobicContact CZ-CG 3.85Å; G603-Y816 PolarHBondContact N-O 2.84Å; G603-Y816 CarbonylContact O-C 3.53Å; G603-Y816 WeakPolarHBondContact O-CA 3.4Å; G603-Y816 WeakPolarHBondContact O-CB 3.31Å; L604-Y816 HydrophobicContact CD2-CE1 4.34Å; S812-Y816 WeakPolarHBondContact O-CE2 3.43Å; D813-Y816 PolarHBondContact O-N 3.05Å; D813-Y816 VanDerWaalsContact O-N 3.09Å; F814-Y816 PolarHBondContact O-N 3.08Å; F814-Y816 VanDerWaalsContact O-N 3.13Å; Y816-K818 PolarHBondContact O-N 3.36Å |
| 817 | Y | 92.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.4 | 173 | 172.5 | -97.6 | 0 | 0 | 0 | 111.3 | W600 N605 F814 G820 Y822 W859 L865 Q866 | W600-Y817 HydrophobicContact CB-CD2 3.99Å; W600-Y817 HydrophobicContact CB-CE2 3.87Å; W600-Y817 HydrophobicContact CD2-CD2 4.17Å; W600-Y817 AromaticContact CE3-CD2 3.79Å; W600-Y817 HydrophobicContact CE3-CD2 3.79Å; W600-Y817 HydrophobicContact CE3-CG 4.47Å; W600-Y817 HydrophobicContact CG-CD2 4.29Å; N605-Y817 PolarHBondContact ND2-O 2.86Å; F814-Y817 WeakPolarHBondContact O-CB 3.38Å; F814-Y817 PolarHBondContact O-N 2.89Å; Y817-G820 WeakPolarHBondContact CE2-O 3.41Å; Y817-G820 VanDerWaalsContact CZ-O 3.27Å; Y817-G820 PolarHBondContact OH-N 2.83Å; Y817-G820 PolarHBondContact OH-O 3.17Å; Y817-Y822 HydrophobicContact CD2-CD2 4.08Å; Y817-Y822 HydrophobicContact CD2-CG 4.33Å; Y817-W859 AromaticContact CD1-CH2 3.85Å; Y817-W859 HydrophobicContact CD1-CH2 3.85Å; Y817-W859 AromaticContact CD1-CZ2 3.85Å; Y817-W859 HydrophobicContact CD1-CZ2 3.85Å; Y817-W859 HydrophobicContact CD1-CZ3 4.44Å; Y817-W859 HydrophobicContact CE1-CH2 4.46Å; Y817-W859 HydrophobicContact CG-CZ2 4.4Å; Y817-L865 HydrophobicContact CD1-CD1 3.78Å; Y817-L865 HydrophobicContact CD2-CD1 4.12Å; Y817-L865 HydrophobicContact CE1-CB 4.26Å; Y817-L865 HydrophobicContact CE1-CD1 3.55Å; Y817-L865 HydrophobicContact CE2-CD1 3.9Å; Y817-L865 HydrophobicContact CG-CD1 4.05Å; Y817-Q866 PolarHBondContact OH-N 2.91Å |
| 818 | K | 90.5 | Very high | 80.6 | Confident | 71 Ų | 71 | 30.3 Ų | 30.3 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -44.6 | 175.1 | -60.6 | -62.4 | -62 | -177.2 | 0 | 113.7 | K601 L604 N605 Y816 G860 E861 | K601-K818 HydrophobicContact CB-CB 4.13Å; K601-K818 VanDerWaalsContact O-CB 3.3Å; K601-K818 WeakPolarHBondContact O-CB 3.33Å; K601-K818 PolarHBondContact O-N 3.17Å; L604-K818 WeakPolarHBondContact O-CD 3.41Å; L604-K818 PolarHBondContact O-NZ 3.01Å; N605-K818 VanDerWaalsContact OD1-CD 3.26Å; N605-K818 WeakPolarHBondContact OD1-CD 2.86Å; N605-K818 PolarHBondContact OD1-NZ 2.94Å; Y816-K818 PolarHBondContact O-N 3.36Å; K818-G860 CarbonylContact O-C 3.51Å; K818-E861 PolarHBondContact O-N 3.13Å |
| 819 | S | 90.4 | Very high | 80.5 | Confident | 26 Ų | 26 | 35.6 Ų | 35.6 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 163.4 | -175 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | W600 K601 E861 | W600-S819 CarbonylContact C-O 3.57Å; W600-S819 WeakPolarHBondContact CA-O 3.38Å; W600-S819 WeakPolarHBondContact CB-O 3.49Å; K601-S819 WeakPolarHBondContact CD-OG 3.4Å; K601-S819 WeakPolarHBondContact CG-OG 3.37Å; K601-S819 PolarHBondContact N-O 2.83Å; S819-E861 VanDerWaalsContact CA-OE1 3.28Å; S819-E861 WeakPolarHBondContact CA-OE1 3.48Å; S819-E861 VanDerWaalsContact CB-OE1 3.27Å; S819-E861 WeakPolarHBondContact CB-OE1 3.09Å |
| 820 | G | 87.9 | Confident | 80.4 | Confident | 18 Ų | 18 | 35 Ų | 35 | 19% | 0.186 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | -168.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S599 Y817 Y822 E861 | S599-G820 CarbonylContact O-C 3.4Å; S599-G820 VanDerWaalsContact O-CA 3.29Å; S599-G820 WeakPolarHBondContact O-CA 3.18Å; Y817-G820 WeakPolarHBondContact CE2-O 3.41Å; Y817-G820 VanDerWaalsContact CZ-O 3.27Å; Y817-G820 PolarHBondContact OH-N 2.83Å; Y817-G820 PolarHBondContact OH-O 3.17Å; G820-Y822 PolarHBondContact O-N 3.25Å; G820-E861 PolarHBondContact N-OE1 3.48Å |
| 821 | V | 85.9 | Confident | 80 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 104.9 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | S599 V823 Y848 Q866 F868 | S599-V821 WeakPolarHBondContact CB-O 3.44Å; S599-V821 PolarHBondContact O-N 3.1Å; S599-V821 PolarHBondContact OG-O 3.26Å; V821-V823 PolarHBondContact O-N 2.92Å; V821-Y848 HydrophobicContact CG2-CD1 3.93Å; V821-Y848 HydrophobicContact CG2-CG 4.18Å; V821-Q866 CarbonylContact C-O 3.44Å; V821-Q866 WeakPolarHBondContact CA-O 3.49Å; V821-Q866 HydrophobicContact CG2-CB 4.27Å; V821-F868 HydrophobicContact CG1-CD2 3.8Å; V821-F868 HydrophobicContact CG1-CE2 3.79Å |
| 822 | Y | 83.2 | Confident | 80.1 | Confident | 13 Ų | 13 | 33.4 Ų | 33.4 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 124 | 177.2 | 176.6 | -102.5 | 0 | 0 | 0 | 110.9 | W600 D813 F814 Y817 G820 H824 L865 Q866 S867 | W600-Y822 HydrophobicContact CD2-CD2 4.15Å; W600-Y822 AromaticContact CE2-CD2 3.93Å; W600-Y822 HydrophobicContact CH2-CD2 4.43Å; W600-Y822 HydrophobicContact CH2-CE2 4.29Å; W600-Y822 HydrophobicContact CZ2-CD2 4.08Å; W600-Y822 AromaticContact CZ2-CE2 3.98Å; W600-Y822 HydrophobicContact CZ2-CE2 3.98Å; D813-Y822 PolarHBondContact OD1-OH 2.87Å; F814-Y822 HydrophobicContact CB-CE2 4.3Å; F814-Y822 AromaticContact CD2-CD1 3.93Å; F814-Y822 HydrophobicContact CD2-CD1 3.93Å; F814-Y822 HydrophobicContact CD2-CD2 4.15Å; F814-Y822 AromaticContact CD2-CE1 3.68Å; F814-Y822 HydrophobicContact CD2-CE1 3.68Å; F814-Y822 AromaticContact CD2-CE2 3.91Å; F814-Y822 HydrophobicContact CD2-CE2 3.91Å; F814-Y822 HydrophobicContact CD2-CG 4.16Å; F814-Y822 AromaticContact CD2-CZ 3.68Å; F814-Y822 HydrophobicContact CE2-CD1 4.21Å; F814-Y822 HydrophobicContact CE2-CE1 4.33Å; F814-Y822 HydrophobicContact CE2-CG 4.47Å; Y817-Y822 HydrophobicContact CD2-CD2 4.08Å; Y817-Y822 HydrophobicContact CD2-CG 4.33Å; G820-Y822 PolarHBondContact O-N 3.25Å; Y822-H824 HydrophobicContact CE1-CB 4.44Å; Y822-L865 VanDerWaalsContact CB-CD1 3.49Å; Y822-L865 HydrophobicContact CG-CD1 4.19Å; Y822-Q866 PolarHBondContact N-O 3.49Å; Y822-S867 PolarHBondContact O-OG 3.39Å |
| 823 | V | 77.3 | Confident | 80.5 | Confident | 40 Ų | 40 | 33.1 Ų | 33.1 | 24% | 0.242 | 19% | 0.185 | C | C | . | . | trans | -129.4 | 127.2 | 165.9 | 178.5 | 0 | 0 | 0 | 0 | 105.8 | W600 V821 K825 F868 | W600-V823 PolarHBondContact NE1-O 3.45Å; V821-V823 PolarHBondContact O-N 2.92Å; V823-K825 PolarHBondContact O-N 3.03Å; V823-F868 HydrophobicContact CG2-CD2 3.71Å; V823-F868 HydrophobicContact CG2-CE2 4.12Å | ||
| 824 | H | 73.6 | Confident | 80.9 | Confident | 53 Ų | 53 | 33.1 Ų | 33.1 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | trans | -56.7 | 130.3 | 174.9 | 170.3 | 60.4 | 0 | 0 | 0 | 110.7 | Y811 D813 Y822 K826 G827 | Y811-H824 VanDerWaalsContact CB-ND1 3.31Å; Y811-H824 WeakPolarHBondContact CB-ND1 3.43Å; Y811-H824 AromaticContact CD1-CD2 3.92Å; Y811-H824 AromaticContact CD1-CE1 3.44Å; Y811-H824 VanDerWaalsContact CD1-CE1 3.44Å; Y811-H824 WeakPolarHBondContact CD1-CE1 3.37Å; Y811-H824 AromaticContact CD1-ND1 3.82Å; Y811-H824 AromaticContact CD1-NE2 3.53Å; Y811-H824 HydrophobicContact CD2-CB 4.24Å; Y811-H824 AromaticContact CD2-CG 3.95Å; Y811-H824 AromaticContact CE1-NE2 3.89Å; Y811-H824 HydrophobicContact CG-CB 4.49Å; Y811-H824 AromaticContact CG-CE1 3.59Å; Y811-H824 AromaticContact CG-CG 3.76Å; Y811-H824 AromaticContact CG-ND1 3.47Å; Y811-H824 AromaticContact CG-NE2 4Å; D813-H824 IonicContact OD1-CE1 3.91Å; D813-H824 IonicContact OD1-ND1 2.64Å; D813-H824 PolarHBondContact OD1-ND1 3.15Å; D813-H824 VanDerWaalsContact OD1-ND1 3.11Å; D813-H824 IonicContact OD2-CE1 3.23Å; D813-H824 IonicContact OD2-CG 2.66Å; D813-H824 IonicContact OD2-ND1 3.64Å; D813-H824 PolarHBondContact OD2-ND1 3.48Å; D813-H824 VanDerWaalsContact OD2-ND1 3.11Å; Y822-H824 HydrophobicContact CE1-CB 4.44Å; H824-K826 PolarHBondContact CE1-O 3.32Å; H824-K826 PolarHBondContact ND1-O 2.98Å; H824-G827 PolarHBondContact CE1-O 3.17Å; H824-G827 PolarHBondContact NE2-O 3.18Å | ||
| 825 | K | 71.4 | Confident | 81 | Confident | 116 Ų | 116 | 33.2 Ų | 33.2 | 50% | 0.504 | 19% | 0.186 | S | C | . | . | trans | -121.7 | -36.5 | 179.6 | -63.1 | -65.8 | -176.4 | 174.1 | 0 | 112.4 | F589 D813 V823 | F589-K825 HydrophobicContact CZ-CB 4.2Å; D813-K825 PolarHBondContact OD2-N 3.42Å; V823-K825 PolarHBondContact O-N 3.03Å | ||
| 826 | K | 70 | Confident | 81.1 | Confident | 89 Ų | 89 | 33.7 Ų | 33.7 | 39% | 0.387 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -148.1 | 152.6 | -171.6 | -72.6 | -66.1 | -175.7 | 176.8 | 0 | 112.6 | L585 D813 H824 | L585-K826 HydrophobicContact CD2-CB 3.89Å; D813-K826 WeakPolarHBondContact CB-O 3.45Å; D813-K826 PolarHBondContact OD2-N 3.42Å; H824-K826 PolarHBondContact CE1-O 3.32Å; H824-K826 PolarHBondContact ND1-O 2.98Å |
| 827 | G | 61.7 | Low | 81.1 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 37% | 0.371 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 95.4 | 161.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | S812 H824 | S812-G827 VanDerWaalsContact OG-CA 3.25Å; S812-G827 WeakPolarHBondContact OG-CA 3.45Å; H824-G827 PolarHBondContact CE1-O 3.17Å; H824-G827 PolarHBondContact NE2-O 3.18Å |
| 828 | G | 64.8 | Low | 81.2 | Confident | 43 Ų | 43 | 33.8 Ų | 33.8 | 44% | 0.443 | 19% | 0.188 | S | C | . | . | trans | -85.6 | 165.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y811 S812 | Y811-G828 VanDerWaalsContact CA-O 3.29Å; Y811-G828 WeakPolarHBondContact CA-O 3.48Å; S812-G828 PolarHBondContact N-O 2.99Å; S812-G828 VanDerWaalsContact N-O 3.09Å | ||
| 829 | K | 70.2 | Confident | 81.4 | Confident | 124 Ų | 124 | 30.4 Ų | 30.4 | 54% | 0.539 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 128.3 | 169 | 179.3 | 178.6 | 178.3 | 176.8 | 0 | 109.5 | A809 Y811 N832 | A809-K829 HydrophobicContact CB-CD 3.93Å; A809-K829 HydrophobicContact CB-CG 4.19Å; Y811-K829 HydrophobicContact CD1-CB 4.29Å; Y811-K829 HydrophobicContact CE1-CB 4.08Å; K829-N832 WeakPolarHBondContact CE-OD1 3.23Å; K829-N832 PolarHBondContact NZ-OD1 3.42Å; K829-N832 VanDerWaalsContact NZ-OD1 3.1Å |
| 830 | I | 72 | Confident | 81.5 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -33.5 | -178.5 | -60.4 | -178.2 | 0 | 0 | 0 | 111.8 | F613 K617 L620 V810 S812 Y815 | F613-I830 HydrophobicContact CE2-CD1 3.72Å; F613-I830 HydrophobicContact CE2-CG1 4.1Å; F613-I830 HydrophobicContact CE2-CG2 4.02Å; F613-I830 HydrophobicContact CZ-CD1 4.42Å; F613-I830 HydrophobicContact CZ-CG1 4.33Å; F613-I830 HydrophobicContact CZ-CG2 3.89Å; K617-I830 HydrophobicContact CB-CG2 3.98Å; K617-I830 HydrophobicContact CD-CG2 3.86Å; K617-I830 VanDerWaalsContact CE-O 3.28Å; K617-I830 WeakPolarHBondContact CE-O 3.24Å; K617-I830 HydrophobicContact CG-CG2 3.8Å; L620-I830 HydrophobicContact CD1-CB 4.01Å; L620-I830 HydrophobicContact CD1-CG2 3.7Å; V810-I830 PolarHBondContact O-N 3.18Å; S812-I830 VanDerWaalsContact CB-CD1 3.49Å; Y815-I830 HydrophobicContact CD2-CD1 4.28Å; Y815-I830 HydrophobicContact CE2-CD1 3.39Å |
| 831 | G | 73.4 | Confident | 81.6 | Confident | 15 Ų | 15 | 29 Ų | 29 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | -169.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V810 | V810-G831 PolarHBondContact N-O 3.44Å |
| 832 | N | 81.2 | Confident | 81.6 | Confident | 32 Ų | 32 | 32.1 Ų | 32.1 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 139.7 | 176.5 | -52.7 | -60 | 0 | 0 | 0 | 109.4 | L620 V622 F624 I807 F808 K829 | L620-N832 CarbonylContact C-O 3.56Å; V622-N832 HydrophobicContact CB-CB 3.99Å; V622-N832 HydrophobicContact CG1-CB 4.26Å; V622-N832 PolarHBondContact N-O 3.05Å; F624-N832 HydrophobicContact CE2-CB 4.26Å; F624-N832 WeakPolarHBondContact CE2-ND2 3.44Å; I807-N832 HydrophobicContact CG2-CB 4.21Å; F808-N832 WeakPolarHBondContact O-CA 3.21Å; K829-N832 WeakPolarHBondContact CE-OD1 3.23Å; K829-N832 PolarHBondContact NZ-OD1 3.42Å; K829-N832 VanDerWaalsContact NZ-OD1 3.1Å |
| 833 | H | 89.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.9 | -176.8 | -169.2 | 52.9 | 0 | 0 | 0 | 110.7 | L619 L620 Q668 C674 I807 F808 V810 N853 W855 | L619-H833 PolarHBondContact O-ND1 2.67Å; L620-H833 HydrophobicContact CD2-CB 3.97Å; Q668-H833 PolarHBondContact OE1-CE1 2.99Å; C674-H833 WeakPolarHBondContact CB-CE1 3.44Å; C674-H833 VanDerWaalsContact CB-ND1 3.34Å; C674-H833 WeakPolarHBondContact CB-ND1 3.46Å; C674-H833 PolarHBondContact SG-ND1 2.77Å; I807-H833 WeakPolarHBondContact CA-O 3.21Å; F808-H833 HydrophobicContact CD1-CB 4.48Å; F808-H833 WeakPolarHBondContact CD1-O 3.39Å; F808-H833 HydrophobicContact CE1-CB 3.93Å; F808-H833 AromaticContact CE1-CD2 3.85Å; F808-H833 HydrophobicContact CZ-CB 4.31Å; F808-H833 PolarHBondContact N-O 3.47Å; F808-H833 PolarHBondContact O-N 2.89Å; V810-H833 HydrophobicContact CG2-CB 3.44Å; V810-H833 VanDerWaalsContact CG2-CB 3.44Å; H833-N853 PolarHBondContact NE2-OD1 2.86Å; H833-W855 AromaticContact CE1-NE1 3.61Å; H833-W855 AromaticContact NE2-CE2 3.98Å; H833-W855 AromaticContact NE2-NE1 3.77Å |
| 834 | A | 89.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V622 S678 P720 I805 A806 I807 | V622-A834 HydrophobicContact CG2-CB 3.58Å; S678-A834 VanDerWaalsContact OG-CB 3.3Å; S678-A834 WeakPolarHBondContact OG-CB 3.48Å; P720-A834 HydrophobicContact CG-CB 3.83Å; I805-A834 HydrophobicContact CG2-CB 4.49Å; A806-A834 CarbonylContact O-C 3.56Å; A806-A834 WeakPolarHBondContact O-CA 3.31Å; I807-A834 HydrophobicContact CG1-CB 4.36Å |
| 835 | V | 91.5 | Very high | 81.2 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 163.1 | -178 | -71.9 | 0 | 0 | 0 | 0 | 111 | I805 A806 F808 V851 L869 | I805-V835 WeakPolarHBondContact CA-O 3.47Å; A806-V835 HydrophobicContact CB-CG2 4.21Å; A806-V835 PolarHBondContact N-O 2.84Å; A806-V835 PolarHBondContact O-N 2.76Å; F808-V835 HydrophobicContact CD1-CG1 4.46Å; F808-V835 HydrophobicContact CD1-CG2 3.84Å; F808-V835 HydrophobicContact CE1-CB 4.33Å; F808-V835 HydrophobicContact CE1-CG1 3.61Å; F808-V835 HydrophobicContact CE1-CG2 3.78Å; F808-V835 HydrophobicContact CZ-CG1 4.44Å; V835-V851 HydrophobicContact CB-CG1 3.5Å; V835-V851 HydrophobicContact CG1-CG1 4.07Å; V835-V851 HydrophobicContact CG2-CG1 3.57Å; V835-L869 HydrophobicContact CG2-CD1 4.39Å |
| 836 | R | 93.5 | Very high | 81.3 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117 | 175.8 | 174.7 | 176.9 | 63.6 | 169.1 | -0.5 | 109.6 | I662 I664 V682 D685 P803 V804 I838 A852 | I662-R836 PolarHBondContact O-NH2 2.65Å; I664-R836 PolarHBondContact O-NH2 3.37Å; V682-R836 HydrophobicContact CG2-CB 4.21Å; V682-R836 HydrophobicContact CG2-CG 3.68Å; D685-R836 IonicContact OD1-NH1 3.92Å; D685-R836 PolarHBondContact OD1-NH1 2.88Å; D685-R836 WeakPolarHBondContact OD2-CD 3.45Å; D685-R836 IonicContact OD2-CZ 3.34Å; D685-R836 IonicContact OD2-NE 2.81Å; D685-R836 IonicContact OD2-NH1 3.03Å; D685-R836 PolarHBondContact OD2-NH1 2.74Å; P803-R836 HydrophobicContact CB-CG 4Å; V804-R836 CarbonylContact O-C 2.92Å; V804-R836 WeakPolarHBondContact O-CA 3.47Å; R836-I838 HydrophobicContact CG-CG2 3.92Å; R836-A852 PolarHBondContact N-O 3.3Å; R836-A852 PolarHBondContact O-N 2.91Å |
| 837 | I | 92.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.7 | 172.2 | -50.6 | -177.5 | 0 | 0 | 0 | 108.5 | I798 P803 V804 A806 G839 W849 V851 L869 I873 | I798-I837 HydrophobicContact CD1-CB 4.2Å; I798-I837 HydrophobicContact CD1-CG2 3.57Å; P803-I837 CarbonylContact C-O 3.49Å; P803-I837 WeakPolarHBondContact CA-O 3.48Å; P803-I837 VanDerWaalsContact CB-O 3.32Å; P803-I837 WeakPolarHBondContact CB-O 3.15Å; V804-I837 HydrophobicContact CG2-CB 3.71Å; V804-I837 HydrophobicContact CG2-CD1 4.19Å; V804-I837 HydrophobicContact CG2-CG1 4.17Å; V804-I837 PolarHBondContact N-O 3.11Å; V804-I837 PolarHBondContact O-N 3.16Å; A806-I837 HydrophobicContact CB-CD1 3.54Å; A806-I837 HydrophobicContact CB-CG1 3.81Å; I837-G839 WeakPolarHBondContact CG2-O 3.32Å; I837-W849 HydrophobicContact CD1-CB 4.41Å; I837-W849 HydrophobicContact CD1-CD2 4.26Å; I837-W849 HydrophobicContact CD1-CG 4.21Å; I837-W849 HydrophobicContact CG2-CB 4.07Å; I837-W849 HydrophobicContact CG2-CD2 4.35Å; I837-W849 HydrophobicContact CG2-CE3 3.85Å; I837-W849 HydrophobicContact CG2-CG 4.48Å; I837-V851 HydrophobicContact CG1-CG2 4.24Å; I837-L869 HydrophobicContact CD1-CD1 3.99Å; I837-L869 HydrophobicContact CG1-CD1 4.35Å; I837-I873 HydrophobicContact CD1-CD1 4.44Å |
| 838 | I | 95 | Very high | 82.9 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 2.8 | -176.2 | 62 | 166.8 | 0 | 0 | 0 | 112.9 | A651 I662 P803 R836 L850 A852 | A651-I838 WeakPolarHBondContact CB-O 3.42Å; A651-I838 PolarHBondContact N-O 3.18Å; I662-I838 HydrophobicContact CG2-CB 4.29Å; I662-I838 HydrophobicContact CG2-CG2 4.05Å; P803-I838 HydrophobicContact CB-CG2 4.12Å; P803-I838 HydrophobicContact CG-CB 4.35Å; P803-I838 HydrophobicContact CG-CG2 3.98Å; R836-I838 HydrophobicContact CG-CG2 3.92Å; I838-L850 HydrophobicContact CD1-CD2 3.9Å; I838-L850 HydrophobicContact CD1-CG 4.02Å; I838-L850 HydrophobicContact CG1-CB 4.33Å; I838-L850 HydrophobicContact CG1-CD2 3.89Å; I838-L850 HydrophobicContact CG1-CG 3.78Å; I838-L850 WeakPolarHBondContact CG1-O 3.45Å; I838-L850 PolarHBondContact N-O 3.31Å; I838-A852 HydrophobicContact CG2-CB 4.26Å |
| 839 | G | 94.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | -174.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | L649 I837 L850 | L649-G839 CarbonylContact O-C 3.5Å; L649-G839 WeakPolarHBondContact O-CA 3.4Å; I837-G839 WeakPolarHBondContact CG2-O 3.32Å; G839-L850 PolarHBondContact N-O 3.14Å; G839-L850 PolarHBondContact O-N 2.9Å |
| 840 | W | 93.4 | Very high | 85.2 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 165.6 | 173.2 | 66.7 | 87.7 | 0 | 0 | 0 | 109.8 | L645 P646 E647 E648 L649 M795 I798 N799 Y848 W849 | L645-W840 HydrophobicContact CB-CZ2 4.41Å; P646-W840 HydrophobicContact CG-CZ2 3.97Å; P646-W840 WeakPolarHBondContact O-CZ2 3.09Å; P646-W840 PolarHBondContact O-NE1 3Å; E647-W840 PolarHBondContact O-NE1 3.41Å; E648-W840 WeakPolarHBondContact CA-O 3.39Å; L649-W840 HydrophobicContact CB-CD2 3.9Å; L649-W840 HydrophobicContact CB-CE3 3.85Å; L649-W840 HydrophobicContact CB-CH2 3.52Å; L649-W840 HydrophobicContact CB-CZ2 3.54Å; L649-W840 HydrophobicContact CB-CZ3 3.64Å; L649-W840 HydrophobicContact CD1-CH2 3.46Å; L649-W840 VanDerWaalsContact CD1-CH2 3.46Å; L649-W840 HydrophobicContact CD1-CZ2 4.14Å; L649-W840 HydrophobicContact CD1-CZ3 3.82Å; L649-W840 HydrophobicContact CD2-CE3 4.31Å; L649-W840 HydrophobicContact CD2-CH2 4.33Å; L649-W840 HydrophobicContact CD2-CZ3 3.85Å; L649-W840 HydrophobicContact CG-CH2 3.95Å; L649-W840 HydrophobicContact CG-CZ2 4.42Å; L649-W840 HydrophobicContact CG-CZ3 3.97Å; L649-W840 PolarHBondContact N-O 2.88Å; L649-W840 PolarHBondContact O-N 3.12Å; M795-W840 HydrophobicContact CB-CD2 4.41Å; M795-W840 HydrophobicContact CB-CE3 4.29Å; M795-W840 HydrophobicContact CB-CH2 4.03Å; M795-W840 HydrophobicContact CB-CZ2 4.17Å; M795-W840 HydrophobicContact CB-CZ3 4.13Å; M795-W840 HydrophobicContact CE-CD2 4.13Å; M795-W840 VanDerWaalsContact CE-CE2 3.46Å; M795-W840 HydrophobicContact CE-CG 4.24Å; M795-W840 HydrophobicContact CE-CZ2 3.84Å; M795-W840 HydrophobicContact CG-CD2 3.98Å; M795-W840 HydrophobicContact CG-CE3 4.2Å; M795-W840 HydrophobicContact CG-CG 4.35Å; M795-W840 HydrophobicContact CG-CZ2 4.43Å; M795-W840 VanDerWaalsContact O-CH2 3.31Å; M795-W840 WeakPolarHBondContact O-CH2 3.23Å; M795-W840 VanDerWaalsContact O-CZ3 3.28Å; M795-W840 WeakPolarHBondContact O-CZ3 3.06Å; I798-W840 HydrophobicContact CB-CE3 4.22Å; I798-W840 HydrophobicContact CB-CZ3 3.71Å; I798-W840 HydrophobicContact CD1-CE3 4.29Å; I798-W840 HydrophobicContact CG2-CE3 4.06Å; I798-W840 HydrophobicContact CG2-CZ3 3.67Å; N799-W840 HydrophobicContact CB-CH2 3.98Å; W840-Y848 CarbonylContact C-O 3.54Å; W840-Y848 WeakPolarHBondContact CA-O 3.41Å; W840-Y848 WeakPolarHBondContact CB-O 3.3Å; W840-W849 HydrophobicContact CB-CE3 3.79Å; W840-W849 HydrophobicContact CB-CZ3 3.96Å; W840-W849 HydrophobicContact CE3-CZ3 4.41Å |
| 841 | G | 90 | Very high | 86.2 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | -169.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K847 Y848 | G841-K847 CarbonylContact O-C 3.42Å; G841-K847 WeakPolarHBondContact O-CA 3.18Å; G841-Y848 PolarHBondContact N-O 3.37Å; G841-Y848 WeakPolarHBondContact O-CD1 3.47Å; G841-Y848 PolarHBondContact O-N 3.01Å |
| 842 | K | 85.5 | Confident | 87.2 | Confident | 69 Ų | 69 | 32.1 Ų | 32.1 | 30% | 0.3 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 124.3 | -177.8 | -171 | -175.7 | 178.1 | -168 | 0 | 110.5 | E648 G844 E846 K847 Y848 | E648-K842 PolarHBondContact OE1-N 3.25Å; K842-G844 WeakPolarHBondContact CE-O 3.41Å; K842-G844 WeakPolarHBondContact CG-O 3.39Å; K842-E846 CarbonylContact C-O 3.57Å; K842-E846 WeakPolarHBondContact CA-O 3.46Å; K842-K847 HydrophobicContact CG-CG 4.29Å; K842-Y848 VanDerWaalsContact N-CE1 3.33Å |
| 843 | T | 77.8 | Confident | 87.8 | Confident | 78 Ų | 78 | 30.9 Ų | 30.9 | 48% | 0.479 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 108.4 | 172.3 | -59.6 | 0 | 0 | 0 | 0 | 108.8 | N845 E846 Y848 | T843-N845 PolarHBondContact O-N 3.26Å; T843-E846 PolarHBondContact N-O 2.91Å; T843-E846 PolarHBondContact O-N 3.41Å; T843-Y848 WeakPolarHBondContact OG1-CE1 3.26Å |
| 844 | G | 75 | Confident | 88.1 | Confident | 65 Ų | 65 | 31.1 Ų | 31.1 | 67% | 0.67 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -117.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K842 | K842-G844 WeakPolarHBondContact CE-O 3.41Å; K842-G844 WeakPolarHBondContact CG-O 3.39Å |
| 845 | N | 72.6 | Confident | 88.3 | Confident | 151 Ų | 151 | 31.2 Ų | 31.2 | 81% | 0.807 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -3.9 | 172 | -78.7 | -18.7 | 0 | 0 | 0 | 113.6 | T843 | T843-N845 PolarHBondContact O-N 3.26Š|
| 846 | E | 73.7 | Confident | 88.3 | Confident | 82 Ų | 82 | 31.4 Ų | 31.4 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 115.7 | -175.5 | -65.2 | -173 | 159.8 | 0 | 0 | 111.2 | S599 K842 T843 F868 | S599-E846 WeakPolarHBondContact CB-OE2 3.21Å; K842-E846 CarbonylContact C-O 3.57Å; K842-E846 WeakPolarHBondContact CA-O 3.46Å; T843-E846 PolarHBondContact N-O 2.91Å; T843-E846 PolarHBondContact O-N 3.41Å; E846-F868 HydrophobicContact CB-CE2 3.99Å; E846-F868 HydrophobicContact CB-CZ 3.8Å; E846-F868 HydrophobicContact CG-CE2 4.41Å; E846-F868 HydrophobicContact CG-CZ 4.27Å |
| 847 | K | 81.2 | Confident | 88.2 | Confident | 94 Ų | 94 | 35.2 Ų | 35.2 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 150.2 | 172.9 | -60.8 | -175.6 | -178.3 | 178.9 | 0 | 111 | E791 G841 K842 F868 | E791-K847 WeakPolarHBondContact OE1-CD 3.44Å; E791-K847 WeakPolarHBondContact OE1-CE 3.09Å; E791-K847 IonicContact OE1-NZ 3.56Å; E791-K847 PolarHBondContact OE1-NZ 2.92Å; E791-K847 IonicContact OE2-NZ 3.91Å; E791-K847 PolarHBondContact OE2-NZ 3Å; G841-K847 CarbonylContact O-C 3.42Å; G841-K847 WeakPolarHBondContact O-CA 3.18Å; K842-K847 HydrophobicContact CG-CG 4.29Å; K847-F868 HydrophobicContact CB-CE1 4.34Å; K847-F868 WeakPolarHBondContact O-CD1 3.43Å; K847-F868 WeakPolarHBondContact O-CE1 3.46Å; K847-F868 VanDerWaalsContact O-CE2 3.27Å; K847-F868 WeakPolarHBondContact O-CE2 3.18Å; K847-F868 WeakPolarHBondContact O-CZ 3.35Å |
| 848 | Y | 84.2 | Confident | 88 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 14% | 0.137 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.5 | 177 | 64.4 | -93.7 | 0 | 0 | 0 | 112 | V821 W840 G841 K842 T843 Q866 | V821-Y848 HydrophobicContact CG2-CD1 3.93Å; V821-Y848 HydrophobicContact CG2-CG 4.18Å; W840-Y848 CarbonylContact C-O 3.54Å; W840-Y848 WeakPolarHBondContact CA-O 3.41Å; W840-Y848 WeakPolarHBondContact CB-O 3.3Å; G841-Y848 PolarHBondContact N-O 3.37Å; G841-Y848 WeakPolarHBondContact O-CD1 3.47Å; G841-Y848 PolarHBondContact O-N 3.01Å; K842-Y848 VanDerWaalsContact N-CE1 3.33Å; T843-Y848 WeakPolarHBondContact OG1-CE1 3.26Å; Y848-Q866 HydrophobicContact CD2-CB 3.64Å; Y848-Q866 HydrophobicContact CD2-CG 3.79Å; Y848-Q866 HydrophobicContact CE2-CB 4.24Å; Y848-Q866 HydrophobicContact CE2-CG 3.86Å; Y848-Q866 HydrophobicContact CG-CB 3.96Å; Y848-Q866 HydrophobicContact CG-CG 4.47Å |
| 849 | W | 89.9 | Confident | 87.9 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 137.1 | 163.6 | -61.3 | 109 | 0 | 0 | 0 | 110 | E791 I794 M795 I798 I837 W840 V851 Q866 S867 L869 | E791-W849 HydrophobicContact CG-CH2 4.16Å; E791-W849 HydrophobicContact CG-CZ2 3.92Å; I794-W849 HydrophobicContact CB-CH2 3.58Å; I794-W849 HydrophobicContact CB-CZ2 4.09Å; I794-W849 HydrophobicContact CB-CZ3 4.25Å; I794-W849 HydrophobicContact CD1-CH2 4.2Å; I794-W849 HydrophobicContact CD1-CZ2 3.81Å; I794-W849 HydrophobicContact CG2-CE3 4.4Å; I794-W849 HydrophobicContact CG2-CH2 3.48Å; I794-W849 VanDerWaalsContact CG2-CH2 3.48Å; I794-W849 HydrophobicContact CG2-CZ2 4.04Å; I794-W849 HydrophobicContact CG2-CZ3 3.69Å; M795-W849 HydrophobicContact CG-CH2 3.68Å; M795-W849 HydrophobicContact CG-CZ3 3.9Å; I798-W849 HydrophobicContact CD1-CE3 4.16Å; I798-W849 HydrophobicContact CD1-CZ3 3.86Å; I837-W849 HydrophobicContact CD1-CB 4.41Å; I837-W849 HydrophobicContact CD1-CD2 4.26Å; I837-W849 HydrophobicContact CD1-CG 4.21Å; I837-W849 HydrophobicContact CG2-CB 4.07Å; I837-W849 HydrophobicContact CG2-CD2 4.35Å; I837-W849 HydrophobicContact CG2-CE3 3.85Å; I837-W849 HydrophobicContact CG2-CG 4.48Å; W840-W849 HydrophobicContact CB-CE3 3.79Å; W840-W849 HydrophobicContact CB-CZ3 3.96Å; W840-W849 HydrophobicContact CE3-CZ3 4.41Å; W849-V851 HydrophobicContact CB-CG2 3.9Å; W849-Q866 VanDerWaalsContact O-CA 3.31Å; W849-Q866 WeakPolarHBondContact O-CA 3.48Å; W849-S867 PolarHBondContact N-O 3.34Å; W849-S867 PolarHBondContact O-N 3.26Å; W849-S867 VanDerWaalsContact O-N 3.1Å; W849-L869 HydrophobicContact CB-CD1 4.48Å; W849-L869 PolarHBondContact NE1-O 3.33Å |
| 850 | L | 93.1 | Very high | 87.8 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 112.7 | 170 | -177 | 65.4 | 0 | 0 | 0 | 109.1 | I838 G839 Q866 | I838-L850 HydrophobicContact CD1-CD2 3.9Å; I838-L850 HydrophobicContact CD1-CG 4.02Å; I838-L850 HydrophobicContact CG1-CB 4.33Å; I838-L850 HydrophobicContact CG1-CD2 3.89Å; I838-L850 HydrophobicContact CG1-CG 3.78Å; I838-L850 WeakPolarHBondContact CG1-O 3.45Å; I838-L850 PolarHBondContact N-O 3.31Å; G839-L850 PolarHBondContact N-O 3.14Å; G839-L850 PolarHBondContact O-N 2.9Å; L850-Q866 HydrophobicContact CD1-CG 4.34Å |
| 851 | V | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.9 | -167.7 | -176 | 0 | 0 | 0 | 0 | 110.7 | V835 I837 W849 K864 L865 L869 | V835-V851 HydrophobicContact CB-CG1 3.5Å; V835-V851 HydrophobicContact CG1-CG1 4.07Å; V835-V851 HydrophobicContact CG2-CG1 3.57Å; I837-V851 HydrophobicContact CG1-CG2 4.24Å; W849-V851 HydrophobicContact CB-CG2 3.9Å; V851-K864 CarbonylContact O-C 3.54Å; V851-K864 VanDerWaalsContact O-CA 3.3Å; V851-K864 WeakPolarHBondContact O-CA 3.37Å; V851-L865 HydrophobicContact CB-CB 4.12Å; V851-L865 HydrophobicContact CB-CD2 4.3Å; V851-L865 HydrophobicContact CB-CG 4.49Å; V851-L865 HydrophobicContact CG1-CD2 4.48Å; V851-L865 HydrophobicContact CG2-CD2 4.5Å; V851-L865 PolarHBondContact N-O 2.78Å; V851-L865 PolarHBondContact O-N 2.99Å; V851-L869 HydrophobicContact CG2-CD1 3.84Å |
| 852 | A | 94.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 112.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I665 R836 I838 | I665-A852 HydrophobicContact CD1-CB 3.74Å; R836-A852 PolarHBondContact N-O 3.3Å; R836-A852 PolarHBondContact O-N 2.91Å; I838-A852 HydrophobicContact CG2-CB 4.26Å |
| 853 | N | 94.8 | Very high | 87.6 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | trans | -84 | 173.2 | 176.7 | -161.9 | 2.5 | 0 | 0 | 0 | 110.8 | I665 H833 W855 W859 G863 | I665-N853 WeakPolarHBondContact CG2-O 3.42Å; H833-N853 PolarHBondContact NE2-OD1 2.86Å; N853-W855 VanDerWaalsContact ND2-CD2 3.25Å; N853-W859 HydrophobicContact CB-CE3 4.14Å; N853-W859 HydrophobicContact CB-CZ3 3.7Å; N853-W859 WeakPolarHBondContact ND2-CH2 3.49Å; N853-W859 WeakPolarHBondContact ND2-CZ3 3.5Å; N853-G863 WeakPolarHBondContact CB-O 3.27Å; N853-G863 PolarHBondContact N-O 3.26Å; N853-G863 VanDerWaalsContact N-O 3.1Å | ||
| 854 | S | 94.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -112.6 | 27.7 | -179.5 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | K666 Q668 | K666-S854 CarbonylContact O-C 3.58Å; K666-S854 VanDerWaalsContact O-CA 3.25Å; K666-S854 WeakPolarHBondContact O-CA 3.1Å; Q668-S854 WeakPolarHBondContact CG-O 3.49Å; Q668-S854 PolarHBondContact N-O 3.12Å; Q668-S854 PolarHBondContact OE1-O 3.13Å; Q668-S854 PolarHBondContact OE1-OG 2.98Å |
| 855 | W | 93.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -105.2 | 13.6 | -179.5 | -64.6 | -13.9 | 0 | 0 | 0 | 113.6 | R607 F608 L620 F814 Y815 H833 N853 W859 | R607-W855 WeakPolarHBondContact CD-O 3.42Å; R607-W855 HydrophobicContact CG-CB 4.37Å; F608-W855 HydrophobicContact CE1-CE3 4.48Å; F608-W855 HydrophobicContact CE2-CE3 4.01Å; F608-W855 AromaticContact CE2-CZ3 3.98Å; F608-W855 HydrophobicContact CE2-CZ3 3.98Å; F608-W855 AromaticContact CZ-CD2 3.83Å; F608-W855 HydrophobicContact CZ-CD2 3.83Å; F608-W855 AromaticContact CZ-CE3 3.41Å; F608-W855 HydrophobicContact CZ-CE3 3.41Å; F608-W855 VanDerWaalsContact CZ-CE3 3.41Å; F608-W855 HydrophobicContact CZ-CH2 4.04Å; F608-W855 HydrophobicContact CZ-CZ2 4.44Å; F608-W855 AromaticContact CZ-CZ3 3.53Å; F608-W855 HydrophobicContact CZ-CZ3 3.53Å; L620-W855 HydrophobicContact CD2-CZ2 3.92Å; F814-W855 AromaticContact CD1-CH2 3.59Å; F814-W855 HydrophobicContact CD1-CH2 3.59Å; F814-W855 AromaticContact CD1-CZ3 3.75Å; F814-W855 HydrophobicContact CD1-CZ3 3.75Å; F814-W855 AromaticContact CE1-CH2 3.54Å; F814-W855 HydrophobicContact CE1-CH2 3.54Å; F814-W855 HydrophobicContact CE1-CZ2 4.46Å; F814-W855 AromaticContact CE1-CZ3 3.54Å; F814-W855 HydrophobicContact CE1-CZ3 3.54Å; Y815-W855 AromaticContact CD1-CH2 3.76Å; Y815-W855 HydrophobicContact CD1-CH2 3.76Å; Y815-W855 HydrophobicContact CD1-CZ3 4.08Å; Y815-W855 AromaticContact CE1-CH2 3.73Å; Y815-W855 HydrophobicContact CE1-CH2 3.73Å; Y815-W855 HydrophobicContact CE1-CZ2 4.23Å; Y815-W855 HydrophobicContact CE1-CZ3 4.49Å; H833-W855 AromaticContact CE1-NE1 3.61Å; H833-W855 AromaticContact NE2-CE2 3.98Å; H833-W855 AromaticContact NE2-NE1 3.77Å; N853-W855 VanDerWaalsContact ND2-CD2 3.25Å; W855-W859 HydrophobicContact CB-CB 4.35Å; W855-W859 AromaticContact CE3-CD1 3.89Å; W855-W859 AromaticContact CE3-CD2 3.58Å; W855-W859 HydrophobicContact CE3-CD2 3.58Å; W855-W859 AromaticContact CE3-CE2 3.53Å; W855-W859 HydrophobicContact CE3-CE3 4.15Å; W855-W859 AromaticContact CE3-CG 3.81Å; W855-W859 HydrophobicContact CE3-CG 3.81Å; W855-W859 HydrophobicContact CE3-CZ2 4.05Å; W855-W859 AromaticContact CE3-NE1 3.72Å; W855-W859 HydrophobicContact CZ3-CD2 4.15Å; W855-W859 AromaticContact CZ3-CE2 3.58Å; W855-W859 HydrophobicContact CZ3-CG 4.5Å; W855-W859 AromaticContact CZ3-CZ2 3.82Å; W855-W859 HydrophobicContact CZ3-CZ2 3.82Å; W855-W859 AromaticContact CZ3-NE1 3.64Å |
| 856 | G | 91.3 | Very high | 89.1 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | trans | 69.9 | -175.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | K666 R858 G863 | K666-G856 PolarHBondContact O-N 2.99Å; K666-G856 VanDerWaalsContact O-N 3.17Å; G856-R858 VanDerWaalsContact C-N 3.29Å; G856-R858 PolarHBondContact O-N 2.93Å; G856-G863 VanDerWaalsContact O-CA 3.27Å; G856-G863 WeakPolarHBondContact O-CA 3.46Å | ||
| 857 | N | 91.7 | Very high | 89.1 | Confident | 89 Ų | 89 | 30.9 Ų | 30.9 | 48% | 0.476 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.2 | -169.9 | -72.8 | -1.3 | 0 | 0 | 0 | 114.7 | I665 W859 N862 | I665-N857 WeakPolarHBondContact CB-OD1 3.27Å; N857-W859 VanDerWaalsContact C-N 3.33Å; N857-N862 WeakPolarHBondContact CB-OD1 3.4Å |
| 858 | R | 89.2 | Confident | 88 | Confident | 129 Ų | 129 | 31.2 Ų | 31.2 | 49% | 0.487 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11.6 | -177.5 | -64.4 | -169.1 | -66.7 | 168.1 | -2 | 113.9 | D606 R607 G856 | D606-R858 HydrophobicContact CB-CB 4.39Å; R607-R858 HydrophobicContact CB-CB 4.44Å; G856-R858 VanDerWaalsContact C-N 3.29Å; G856-R858 PolarHBondContact O-N 2.93Å |
| 859 | W | 92.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -133 | 145.2 | 177.4 | 175.7 | 86.1 | 0 | 0 | 0 | 110.5 | N605 R607 F608 F814 Y817 N853 W855 N857 G863 L865 | N605-W859 VanDerWaalsContact ND2-CD1 3.33Å; R607-W859 HydrophobicContact CB-CB 4.14Å; F608-W859 AromaticContact CE2-CD1 3.31Å; F608-W859 HydrophobicContact CE2-CG 4.25Å; F608-W859 AromaticContact CE2-NE1 3.72Å; F814-W859 HydrophobicContact CD1-CZ2 4.2Å; F814-W859 HydrophobicContact CD2-CZ2 4.28Å; F814-W859 AromaticContact CE1-CH2 3.95Å; F814-W859 HydrophobicContact CE1-CH2 3.95Å; F814-W859 AromaticContact CE1-CZ2 3.7Å; F814-W859 HydrophobicContact CE1-CZ2 3.7Å; F814-W859 AromaticContact CE2-CH2 3.81Å; F814-W859 HydrophobicContact CE2-CH2 3.81Å; F814-W859 AromaticContact CE2-CZ2 3.79Å; F814-W859 HydrophobicContact CE2-CZ2 3.79Å; F814-W859 HydrophobicContact CG-CZ2 4.48Å; F814-W859 AromaticContact CZ-CH2 3.36Å; F814-W859 HydrophobicContact CZ-CH2 3.36Å; F814-W859 AromaticContact CZ-CZ2 3.47Å; F814-W859 HydrophobicContact CZ-CZ2 3.47Å; F814-W859 VanDerWaalsContact CZ-CZ2 3.47Å; F814-W859 PolarHBondContact O-NE1 3.43Å; Y817-W859 AromaticContact CD1-CH2 3.85Å; Y817-W859 HydrophobicContact CD1-CH2 3.85Å; Y817-W859 AromaticContact CD1-CZ2 3.85Å; Y817-W859 HydrophobicContact CD1-CZ2 3.85Å; Y817-W859 HydrophobicContact CD1-CZ3 4.44Å; Y817-W859 HydrophobicContact CE1-CH2 4.46Å; Y817-W859 HydrophobicContact CG-CZ2 4.4Å; N853-W859 HydrophobicContact CB-CE3 4.14Å; N853-W859 HydrophobicContact CB-CZ3 3.7Å; N853-W859 WeakPolarHBondContact ND2-CH2 3.49Å; N853-W859 WeakPolarHBondContact ND2-CZ3 3.5Å; W855-W859 HydrophobicContact CB-CB 4.35Å; W855-W859 AromaticContact CE3-CD1 3.89Å; W855-W859 AromaticContact CE3-CD2 3.58Å; W855-W859 HydrophobicContact CE3-CD2 3.58Å; W855-W859 AromaticContact CE3-CE2 3.53Å; W855-W859 HydrophobicContact CE3-CE3 4.15Å; W855-W859 AromaticContact CE3-CG 3.81Å; W855-W859 HydrophobicContact CE3-CG 3.81Å; W855-W859 HydrophobicContact CE3-CZ2 4.05Å; W855-W859 AromaticContact CE3-NE1 3.72Å; W855-W859 HydrophobicContact CZ3-CD2 4.15Å; W855-W859 AromaticContact CZ3-CE2 3.58Å; W855-W859 HydrophobicContact CZ3-CG 4.5Å; W855-W859 AromaticContact CZ3-CZ2 3.82Å; W855-W859 HydrophobicContact CZ3-CZ2 3.82Å; W855-W859 AromaticContact CZ3-NE1 3.64Å; N857-W859 VanDerWaalsContact C-N 3.33Å; W859-G863 VanDerWaalsContact O-CA 3.24Å; W859-G863 WeakPolarHBondContact O-CA 3.46Å; W859-G863 PolarHBondContact O-N 3.35Å; W859-L865 HydrophobicContact CH2-CB 4.07Å; W859-L865 HydrophobicContact CH2-CD1 4.31Å; W859-L865 HydrophobicContact CZ3-CB 4.23Å |
| 860 | G | 91.6 | Very high | 84.2 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -149.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N605 K818 N862 | N605-G860 PolarHBondContact OD1-N 2.86Å; K818-G860 CarbonylContact O-C 3.51Å; G860-N862 VanDerWaalsContact C-N 3.28Å; G860-N862 PolarHBondContact O-N 3.44Å |
| 861 | E | 89.8 | Confident | 81.7 | Confident | 58 Ų | 58 | 39.1 Ų | 39.1 | 27% | 0.271 | 19% | 0.19 | S | C | . | . | B | Isolated β-bridge | trans | -81.1 | 72.1 | 178.7 | -61.2 | -170.3 | 164.7 | 0 | 0 | 110.5 | K818 S819 G820 G863 K864 Q866 | K818-E861 PolarHBondContact O-N 3.13Å; S819-E861 VanDerWaalsContact CA-OE1 3.28Å; S819-E861 WeakPolarHBondContact CA-OE1 3.48Å; S819-E861 VanDerWaalsContact CB-OE1 3.27Å; S819-E861 WeakPolarHBondContact CB-OE1 3.09Å; G820-E861 PolarHBondContact N-OE1 3.48Å; E861-G863 VanDerWaalsContact C-N 3.3Å; E861-G863 PolarHBondContact O-N 3.35Å; E861-K864 HydrophobicContact CB-CB 4.32Å; E861-K864 PolarHBondContact N-O 3.3Å; E861-K864 WeakPolarHBondContact O-CB 3.36Å; E861-K864 PolarHBondContact O-N 3.13Å; E861-Q866 PolarHBondContact OE2-NE2 2.88Å |
| 862 | N | 89.3 | Confident | 79.2 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 47.1 | -174.7 | -167.9 | 25.2 | 0 | 0 | 0 | 111.3 | N857 G860 | N857-N862 WeakPolarHBondContact CB-OD1 3.4Å; G860-N862 VanDerWaalsContact C-N 3.28Å; G860-N862 PolarHBondContact O-N 3.44Å |
| 863 | G | 86 | Confident | 77 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -0.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N853 G856 W859 E861 | N853-G863 WeakPolarHBondContact CB-O 3.27Å; N853-G863 PolarHBondContact N-O 3.26Å; N853-G863 VanDerWaalsContact N-O 3.1Å; G856-G863 VanDerWaalsContact O-CA 3.27Å; G856-G863 WeakPolarHBondContact O-CA 3.46Å; W859-G863 VanDerWaalsContact O-CA 3.24Å; W859-G863 WeakPolarHBondContact O-CA 3.46Å; W859-G863 PolarHBondContact O-N 3.35Å; E861-G863 VanDerWaalsContact C-N 3.3Å; E861-G863 PolarHBondContact O-N 3.35Å |
| 864 | K | 89.7 | Confident | 74.8 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 157.8 | -178.5 | -56.6 | 166 | -162.1 | 170.1 | 0 | 111.4 | R652 I665 V851 E861 | R652-K864 VanDerWaalsContact NH1-CE 3.32Å; I665-K864 HydrophobicContact CD1-CG 3.93Å; V851-K864 CarbonylContact O-C 3.54Å; V851-K864 VanDerWaalsContact O-CA 3.3Å; V851-K864 WeakPolarHBondContact O-CA 3.37Å; E861-K864 HydrophobicContact CB-CB 4.32Å; E861-K864 PolarHBondContact N-O 3.3Å; E861-K864 WeakPolarHBondContact O-CB 3.36Å; E861-K864 PolarHBondContact O-N 3.13Å |
| 865 | L | 86.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.8 | 179.5 | 167.8 | 75.2 | 0 | 0 | 0 | 109.2 | F814 Y817 Y822 V851 W859 | F814-L865 HydrophobicContact CE2-CD1 3.84Å; F814-L865 HydrophobicContact CE2-CD2 3.58Å; F814-L865 HydrophobicContact CE2-CG 4.32Å; F814-L865 HydrophobicContact CZ-CD2 3.77Å; Y817-L865 HydrophobicContact CD1-CD1 3.78Å; Y817-L865 HydrophobicContact CD2-CD1 4.12Å; Y817-L865 HydrophobicContact CE1-CB 4.26Å; Y817-L865 HydrophobicContact CE1-CD1 3.55Å; Y817-L865 HydrophobicContact CE2-CD1 3.9Å; Y817-L865 HydrophobicContact CG-CD1 4.05Å; Y822-L865 VanDerWaalsContact CB-CD1 3.49Å; Y822-L865 HydrophobicContact CG-CD1 4.19Å; V851-L865 HydrophobicContact CB-CB 4.12Å; V851-L865 HydrophobicContact CB-CD2 4.3Å; V851-L865 HydrophobicContact CB-CG 4.49Å; V851-L865 HydrophobicContact CG1-CD2 4.48Å; V851-L865 HydrophobicContact CG2-CD2 4.5Å; V851-L865 PolarHBondContact N-O 2.78Å; V851-L865 PolarHBondContact O-N 2.99Å; W859-L865 HydrophobicContact CH2-CB 4.07Å; W859-L865 HydrophobicContact CH2-CD1 4.31Å; W859-L865 HydrophobicContact CZ3-CB 4.23Å |
| 866 | Q | 79.7 | Confident | 69.9 | Low | 32 Ų | 32 | 43.3 Ų | 43.3 | 15% | 0.15 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125.1 | 161.5 | -57.5 | 172.9 | 25.1 | 0 | 0 | 107.2 | Y817 V821 Y822 Y848 W849 L850 E861 | Y817-Q866 PolarHBondContact OH-N 2.91Å; V821-Q866 CarbonylContact C-O 3.44Å; V821-Q866 WeakPolarHBondContact CA-O 3.49Å; V821-Q866 HydrophobicContact CG2-CB 4.27Å; Y822-Q866 PolarHBondContact N-O 3.49Å; Y848-Q866 HydrophobicContact CD2-CB 3.64Å; Y848-Q866 HydrophobicContact CD2-CG 3.79Å; Y848-Q866 HydrophobicContact CE2-CB 4.24Å; Y848-Q866 HydrophobicContact CE2-CG 3.86Å; Y848-Q866 HydrophobicContact CG-CB 3.96Å; Y848-Q866 HydrophobicContact CG-CG 4.47Å; W849-Q866 VanDerWaalsContact O-CA 3.31Å; W849-Q866 WeakPolarHBondContact O-CA 3.48Å; L850-Q866 HydrophobicContact CD1-CG 4.34Å; E861-Q866 PolarHBondContact OE2-NE2 2.88Å |
| 867 | S | 72.9 | Confident | 67 | Low | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 150.7 | -175.4 | -176.1 | 0 | 0 | 0 | 0 | 114.2 | Y822 W849 L869 | Y822-S867 PolarHBondContact O-OG 3.39Å; W849-S867 PolarHBondContact N-O 3.34Å; W849-S867 PolarHBondContact O-N 3.26Å; W849-S867 VanDerWaalsContact O-N 3.1Å; S867-L869 PolarHBondContact O-N 3.48Å |
| 868 | F | 58.9 | Low | 64 | Low | 102 Ų | 102 | 41.4 Ų | 41.4 | 45% | 0.447 | 20% | 0.2 | S | C | . | . | trans | -76.6 | 106.4 | 159.3 | -70.4 | -90.8 | 0 | 0 | 0 | 109.3 | V821 V823 E846 K847 | V821-F868 HydrophobicContact CG1-CD2 3.8Å; V821-F868 HydrophobicContact CG1-CE2 3.79Å; V823-F868 HydrophobicContact CG2-CD2 3.71Å; V823-F868 HydrophobicContact CG2-CE2 4.12Å; E846-F868 HydrophobicContact CB-CE2 3.99Å; E846-F868 HydrophobicContact CB-CZ 3.8Å; E846-F868 HydrophobicContact CG-CE2 4.41Å; E846-F868 HydrophobicContact CG-CZ 4.27Å; K847-F868 HydrophobicContact CB-CE1 4.34Å; K847-F868 WeakPolarHBondContact O-CD1 3.43Å; K847-F868 WeakPolarHBondContact O-CE1 3.46Å; K847-F868 VanDerWaalsContact O-CE2 3.27Å; K847-F868 WeakPolarHBondContact O-CE2 3.18Å; K847-F868 WeakPolarHBondContact O-CZ 3.35Å | ||
| 869 | L | 52.7 | Low | 60.9 | Low | 18 Ų | 18 | 42.1 Ų | 42.1 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | trans | -104.9 | 121.9 | 175.6 | -64.9 | 176.5 | 0 | 0 | 0 | 109.4 | A806 F808 V835 I837 W849 V851 S867 | A806-L869 HydrophobicContact CB-CD1 4.49Å; F808-L869 HydrophobicContact CB-CD2 3.79Å; F808-L869 HydrophobicContact CD1-CD2 4.16Å; F808-L869 HydrophobicContact CD2-CD2 3.69Å; F808-L869 HydrophobicContact CE2-CD2 4.32Å; F808-L869 HydrophobicContact CG-CD2 3.61Å; V835-L869 HydrophobicContact CG2-CD1 4.39Å; I837-L869 HydrophobicContact CD1-CD1 3.99Å; I837-L869 HydrophobicContact CG1-CD1 4.35Å; W849-L869 HydrophobicContact CB-CD1 4.48Å; W849-L869 PolarHBondContact NE1-O 3.33Å; V851-L869 HydrophobicContact CG2-CD1 3.84Å; S867-L869 PolarHBondContact O-N 3.48Å | ||
| 870 | Q | 41.1 | Very low | 57.7 | Low | 201 Ų | 201 | 44.1 Ų | 44.1 | 94% | 0.939 | 22% | 0.219 | S | C | * | . | trans | -100.8 | 105.7 | 163.9 | -151.4 | 138.6 | 28 | 0 | 0 | 105.7 | ||||
| 871 | S | 41.9 | Very low | 54.6 | Low | 18 Ų | 18 | 49.2 Ų | 49.2 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | trans | -144.2 | 158.4 | -159.2 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | I807 I873 | I807-S871 WeakPolarHBondContact O-CB 3.09Å; S871-I873 WeakPolarHBondContact OG-CD1 3.46Å; S871-I873 WeakPolarHBondContact OG-CG1 3.28Å | ||
| 872 | L | 39.9 | Very low | 51.5 | Low | 93 Ų | 93 | 50.8 Ų | 50.8 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.3 | 164.2 | -165.5 | 84 | 0 | 0 | 0 | 108.2 | I807 | I807-L872 PolarHBondContact N-O 2.82Å |
| 873 | I | 48.3 | Very low | 48.4 | Very low | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.1 | -169.4 | -67.3 | 168.5 | 0 | 0 | 0 | 110.4 | I787 I794 V804 I805 A806 I837 S871 T875 | I787-I873 HydrophobicContact CB-CB 4.23Å; I787-I873 HydrophobicContact CB-CG2 4.02Å; I787-I873 HydrophobicContact CD1-CG2 3.6Å; I787-I873 HydrophobicContact CG1-CG2 4Å; I787-I873 PolarHBondContact N-O 2.99Å; I794-I873 HydrophobicContact CB-CD1 4.18Å; I794-I873 HydrophobicContact CD1-CD1 3.13Å; I794-I873 HydrophobicContact CG1-CD1 3.3Å; I794-I873 HydrophobicContact CG2-CD1 3.8Å; V804-I873 HydrophobicContact CB-CG2 4.15Å; V804-I873 HydrophobicContact CG2-CG2 4.14Å; I805-I873 WeakPolarHBondContact O-CA 3.46Å; I805-I873 WeakPolarHBondContact O-CG2 3.35Å; A806-I873 HydrophobicContact CB-CD1 4.35Å; A806-I873 HydrophobicContact CB-CG1 3.85Å; I837-I873 HydrophobicContact CD1-CD1 4.44Å; S871-I873 WeakPolarHBondContact OG-CD1 3.46Å; S871-I873 WeakPolarHBondContact OG-CG1 3.28Å; I873-T875 HydrophobicContact CG2-CG2 4Å |
| 874 | C | 48.2 | Very low | 45.5 | Very low | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.8 | -178.4 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | L724 I805 | L724-C874 HydrophobicContact CD1-CB 3.83Å; I805-C874 PolarHBondContact O-N 2.97Å |
| 875 | T | 40.2 | Very low | 42.3 | Very low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | -178.5 | -174.7 | 67.9 | 0 | 0 | 0 | 0 | 115.5 | Y785 I787 V804 I873 | Y785-T875 WeakPolarHBondContact CE2-OG1 3.38Å; Y785-T875 PolarHBondContact N-O 2.88Å; Y785-T875 CarbonylContact O-C 3.55Å; Y785-T875 PolarHBondContact O-N 2.9Å; I787-T875 HydrophobicContact CD1-CG2 3.33Å; I787-T875 WeakPolarHBondContact CD1-OG1 3.18Å; I787-T875 HydrophobicContact CG1-CG2 3.88Å; I787-T875 WeakPolarHBondContact CG1-OG1 3.45Å; V804-T875 HydrophobicContact CB-CG2 3.31Å; V804-T875 HydrophobicContact CG1-CG2 3.31Å; I873-T875 HydrophobicContact CG2-CG2 4Å |
| 876 | L | 46.5 | Very low | 39.4 | Very low | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 149 | -152.1 | -70.3 | 147.1 | 0 | 0 | 0 | 114.4 | V682 M683 R686 L724 W727 A781 R783 V784 Y785 | V682-L876 HydrophobicContact CG1-CD1 4.2Å; M683-L876 HydrophobicContact CG-CD1 4.31Å; R686-L876 VanDerWaalsContact NH1-N 3.19Å; R686-L876 PolarHBondContact NH1-O 2.94Å; L724-L876 HydrophobicContact CB-CD2 4.38Å; L724-L876 HydrophobicContact CD1-CD1 4.42Å; L724-L876 HydrophobicContact CD1-CD2 4.46Å; L724-L876 HydrophobicContact CD1-CG 4.22Å; L724-L876 HydrophobicContact CD2-CD1 3.39Å; L724-L876 HydrophobicContact CD2-CD2 4.06Å; L724-L876 HydrophobicContact CD2-CG 3.92Å; L724-L876 HydrophobicContact CG-CD1 4.47Å; W727-L876 HydrophobicContact CE3-CD1 3.67Å; W727-L876 HydrophobicContact CE3-CD2 3.44Å; W727-L876 VanDerWaalsContact CE3-CD2 3.44Å; W727-L876 HydrophobicContact CE3-CG 4.09Å; W727-L876 HydrophobicContact CH2-CD1 4.35Å; W727-L876 HydrophobicContact CZ3-CB 4.12Å; W727-L876 HydrophobicContact CZ3-CD1 3.23Å; W727-L876 HydrophobicContact CZ3-CD2 3.42Å; W727-L876 VanDerWaalsContact CZ3-CD2 3.42Å; W727-L876 HydrophobicContact CZ3-CG 3.71Å; A781-L876 HydrophobicContact CB-CD2 4.06Å; R783-L876 WeakPolarHBondContact O-CD2 3.04Å; V784-L876 HydrophobicContact CB-CD2 4.24Å; V784-L876 HydrophobicContact CG2-CD2 3.58Å; Y785-L876 VanDerWaalsContact CE1-C 3.46Å; Y785-L876 PolarHBondContact OH-O 3.29Å |
| 877 | D | 29.4 | Very low | 36.8 | Very low | 48 Ų | 48 | 81 Ų | 81 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132 | 160.9 | -162 | 7.3 | 0 | 0 | 0 | 109.5 | R783 Y785 | R783-D877 HydrophobicContact CB-CB 4.34Å; R783-D877 PolarHBondContact N-O 3.33Å; R783-D877 PolarHBondContact O-N 2.88Å; Y785-D877 HydrophobicContact CE1-CB 4.1Å |
| 878 | V | 29.3 | Very low | 34.5 | Very low | 6 Ų | 6 | 89.3 Ų | 89.3 | 4% | 0.036 | 45% | 0.453 | C | S | . | . | trans | -112.6 | 129.6 | -169.8 | -169.6 | 0 | 0 | 0 | 0 | 108.9 | R686 L690 W727 V880 | R686-V878 HydrophobicContact CB-CG2 3.89Å; L690-V878 WeakPolarHBondContact CD1-O 3.39Å; L690-V878 HydrophobicContact CD2-CB 3.96Å; L690-V878 HydrophobicContact CD2-CG1 3.81Å; L690-V878 WeakPolarHBondContact CD2-O 3.44Å; L690-V878 WeakPolarHBondContact CG-O 2.98Å; W727-V878 HydrophobicContact CH2-CG1 4.3Å; W727-V878 HydrophobicContact CH2-CG2 3.57Å; W727-V878 HydrophobicContact CZ3-CG2 4.17Å; V878-V880 HydrophobicContact CG1-CG2 4.06Å | ||
| 879 | K | 24.2 | Very low | 32.8 | Very low | 145 Ų | 145 | 90.9 Ų | 90.9 | 63% | 0.63 | 47% | 0.471 | S | S | * | . | trans | -126.7 | 114.6 | 156.9 | -164.4 | 174.3 | -176.9 | 178.5 | 0 | 107.9 | Q782 T881 | Q782-K879 HydrophobicContact CB-CB 4.48Å; K879-T881 PolarHBondContact O-N 2.9Å | ||
| 880 | V | 25.1 | Very low | 31.5 | Very low | 43 Ų | 43 | 98.2 Ų | 98.2 | 26% | 0.261 | 51% | 0.511 | S | S | . | . | trans | -77.3 | 105.5 | -178.8 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | T687 L690 T691 V878 S882 | T687-V880 HydrophobicContact CG2-CG2 4.03Å; L690-V880 HydrophobicContact CD2-CB 4.47Å; L690-V880 HydrophobicContact CD2-CG2 3.92Å; T691-V880 HydrophobicContact CG2-CB 4.41Å; T691-V880 HydrophobicContact CG2-CG2 3.92Å; V878-V880 HydrophobicContact CG1-CG2 4.06Å; V880-S882 PolarHBondContact O-N 2.92Å | ||
| 881 | T | 26.1 | Very low | 30.7 | Very low | 117 Ų | 117 | 93 Ų | 93 | 72% | 0.718 | 50% | 0.501 | S | S | * | . | trans | -81.5 | 94.8 | 162.3 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | K879 K883 | K879-T881 PolarHBondContact O-N 2.9Å; T881-K883 PolarHBondContact O-N 3.35Å | ||
| 882 | S | 25.4 | Very low | 30 | Very low | 92 Ų | 92 | 101.1 Ų | 101.1 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | trans | -72.5 | 110.3 | 164.4 | 54 | 0 | 0 | 0 | 0 | 108.1 | V880 S884 | V880-S882 PolarHBondContact O-N 2.92Å; S882-S884 PolarHBondContact O-N 3.3Å | ||
| 883 | K | 24.5 | Very low | 29.4 | Very low | 213 Ų | 213 | 104 Ų | 104 | 93% | 0.926 | 55% | 0.552 | S | S | * | * | trans | -71.6 | 76.1 | 162.3 | -78.4 | -172.5 | 174.7 | -173.8 | 0 | 108.3 | T881 | T881-K883 PolarHBondContact O-N 3.35Š| ||
| 884 | S | 24.7 | Very low | 28.2 | Very low | 100 Ų | 100 | 111.1 Ų | 111.1 | 70% | 0.699 | 59% | 0.591 | S | S | * | * | trans | -75.3 | 136 | 155.6 | 47.4 | 0 | 0 | 0 | 0 | 107.6 | S882 | S882-S884 PolarHBondContact O-N 3.3Š| ||
| 885 | K | 23.6 | Very low | 27.1 | Very low | 159 Ų | 159 | 117 Ų | 117 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | trans | -51.4 | 149.8 | -178.3 | -71.3 | 173.1 | 158.6 | -165.6 | 0 | 112.6 | D887 | K885-D887 PolarHBondContact O-N 2.68Š| ||
| 886 | E | 25.2 | Very low | 26.4 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | trans | 35.8 | 83.2 | 140.6 | -66.3 | 160.8 | 157.6 | 0 | 0 | 115.2 | ||||
| 887 | D | 24.4 | Very low | 25.2 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | trans | -123.5 | 108.5 | 141.4 | -83.6 | -40.6 | 0 | 0 | 0 | 106.3 | K885 | K885-D887 PolarHBondContact O-N 2.68Š| ||
| 888 | E | 24.7 | Very low | 25 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -61 | 162.1 | 165.5 | -70.7 | 179.7 | 137.8 | 0 | 0 | 110.4 | ||||
| 889 | T | 24.2 | Very low | 24.7 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 82.1 | 102.1 | 168.9 | 55.1 | 0 | 0 | 0 | 0 | 118.6 | A891 | T889-A891 PolarHBondContact O-N 3.44Š|
| 890 | N | 25 | Very low | 24.9 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | trans | 11.6 | 106.1 | 138.5 | -73.2 | -23.8 | 0 | 0 | 0 | 116.8 | ||||
| 891 | A | 24.5 | Very low | 24.9 | Very low | 90 Ų | 90 | 148.2 Ų | 148.2 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -144.6 | 97.4 | 147.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T889 L893 | T889-A891 PolarHBondContact O-N 3.44Å; A891-L893 PolarHBondContact O-N 2.02Å | ||
| 892 | E | 25.9 | Very low | 24.8 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | 29.6 | 89.3 | 140.7 | -61 | -177.7 | 155 | 0 | 0 | 117.9 | ||||
| 893 | L | 27.5 | Very low | 24.6 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -134.4 | 43 | 154.1 | -87 | 170 | 0 | 0 | 0 | 111.5 | A891 | A891-L893 PolarHBondContact O-N 2.02Š| ||
| 894 | N | 23.6 | Very low | 24.5 | Very low | 155 Ų | 155 | 154.8 Ų | 154.8 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -88.4 | 85.9 | 142.8 | -82.5 | -23 | 0 | 0 | 0 | 106.7 | ||||
| 895 | N | 24.8 | Very low | 24.2 | Very low | 129 Ų | 129 | 157.5 Ų | 157.5 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | 179.1 | 41.9 | 158.3 | -96.1 | -21.8 | 0 | 0 | 0 | 115.4 | R897 | N895-R897 PolarHBondContact O-N 3.48Š| ||
| 896 | I | 26.9 | Very low | 24.1 | Very low | 149 Ų | 149 | 159.4 Ų | 159.4 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -90.7 | 80.3 | 153.6 | -58.8 | 178.8 | 0 | 0 | 0 | 107.2 | V898 | I896-V898 PolarHBondContact O-N 3.49Å; I896-V898 VanDerWaalsContact O-N 3.12Å | ||
| 897 | R | 21.1 | Very low | 23.9 | Very low | 212 Ų | 212 | 156.6 Ų | 156.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -57.6 | 104.7 | 159.4 | -77.5 | 177.8 | 175.2 | 176.9 | -3.1 | 107.4 | N895 | N895-R897 PolarHBondContact O-N 3.48Š| ||
| 898 | V | 24.8 | Very low | 23.8 | Very low | 124 Ų | 124 | 154.9 Ų | 154.9 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -73.3 | 120.9 | 154.6 | -178.2 | 0 | 0 | 0 | 0 | 105.4 | I896 E900 | I896-V898 PolarHBondContact O-N 3.49Å; I896-V898 VanDerWaalsContact O-N 3.12Å; V898-E900 PolarHBondContact O-N 2.58Å | ||
| 899 | P | 23.3 | Very low | 23.6 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -56 | 131.5 | -173.6 | -23.1 | 31.7 | 0 | 0 | 0 | 111.9 | N901 | P899-N901 PolarHBondContact O-N 3.38Š| ||
| 900 | E | 28.2 | Very low | 23.6 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -71.2 | 14 | -172.6 | -135.7 | 172.8 | 179.8 | 0 | 0 | 114.9 | V898 | V898-E900 PolarHBondContact O-N 2.58Š|
| 901 | N | 24.9 | Very low | 23.5 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -121 | 32.9 | -165.1 | -67.8 | -8.9 | 0 | 0 | 0 | 115.7 | P899 | P899-N901 PolarHBondContact O-N 3.38Š| ||
| 902 | Q | 23.8 | Very low | 23.5 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -128.4 | 58.2 | 157.3 | -71.8 | -168.1 | -8.1 | 0 | 0 | 110.9 | F904 | Q902-F904 PolarHBondContact O-N 2.79Š| ||
| 903 | R | 21.4 | Very low | 23.3 | Very low | 211 Ų | 211 | 150.5 Ų | 150.5 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -73.6 | 110.7 | 154 | -70.5 | -176.2 | 179.4 | -173.6 | 1.8 | 107 | K905 | R903-K905 PolarHBondContact O-N 2.72Å; R903-K905 VanDerWaalsContact O-N 3.11Å | ||
| 904 | F | 21.6 | Very low | 22.9 | Very low | 182 Ų | 182 | 150 Ų | 150 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | -61.2 | 114.9 | 163.1 | -77.2 | -87.6 | 0 | 0 | 0 | 107.8 | Q902 F906 | Q902-F904 PolarHBondContact O-N 2.79Å; F904-F906 PolarHBondContact O-N 2.03Å | ||
| 905 | K | 19.2 | Very low | 22.7 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | -71.4 | 109.6 | -178.1 | -163.8 | -174.2 | -173 | -123.3 | 0 | 107.9 | R903 D907 | R903-K905 PolarHBondContact O-N 2.72Å; R903-K905 VanDerWaalsContact O-N 3.11Å; K905-D907 WeakPolarHBondContact CE-OD1 3.43Å; K905-D907 IonicContact NZ-OD1 3.76Å; K905-D907 PolarHBondContact NZ-OD1 3.43Å; K905-D907 IonicContact NZ-OD2 2.91Å; K905-D907 PolarHBondContact NZ-OD2 2.89Å | ||
| 906 | F | 21.3 | Very low | 22.5 | Very low | 200 Ų | 200 | 146.6 Ų | 146.6 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -96.6 | 110.1 | 147.7 | -80.4 | -82.7 | 0 | 0 | 0 | 106 | F904 S908 | F904-F906 PolarHBondContact O-N 2.03Å; F906-S908 PolarHBondContact O-N 2.82Å; F906-S908 VanDerWaalsContact O-N 3.13Å | ||
| 907 | D | 21.4 | Very low | 22.2 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 57% | 0.572 | 76% | 0.761 | S | S | * | * | trans | -54.8 | 113.1 | -179.9 | -102.7 | -52 | 0 | 0 | 0 | 110.3 | K905 A909 | K905-D907 WeakPolarHBondContact CE-OD1 3.43Å; K905-D907 IonicContact NZ-OD1 3.76Å; K905-D907 PolarHBondContact NZ-OD1 3.43Å; K905-D907 IonicContact NZ-OD2 2.91Å; K905-D907 PolarHBondContact NZ-OD2 2.89Å; D907-A909 HydrophobicContact CB-CB 4.48Å; D907-A909 PolarHBondContact O-N 2.94Å; D907-A909 VanDerWaalsContact O-N 3.13Å | ||
| 908 | S | 21.6 | Very low | 22.2 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 83.2 | 154.5 | 179.5 | 0 | 0 | 0 | 0 | 107.1 | F906 | F906-S908 PolarHBondContact O-N 2.82Å; F906-S908 VanDerWaalsContact O-N 3.13Å | ||
| 909 | A | 21.3 | Very low | 22.1 | Very low | 70 Ų | 70 | 142.1 Ų | 142.1 | 58% | 0.579 | 75% | 0.75 | S | S | * | * | trans | -158 | 56.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D907 | D907-A909 HydrophobicContact CB-CB 4.48Å; D907-A909 PolarHBondContact O-N 2.94Å; D907-A909 VanDerWaalsContact O-N 3.13Å | ||
| 910 | I | 23.8 | Very low | 22 | Very low | 154 Ų | 154 | 145 Ų | 145 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -135.7 | 82.4 | 143.9 | -56.4 | -176.5 | 0 | 0 | 0 | 107.7 | T912 | I910-T912 VanDerWaalsContact CG2-OG1 3.24Å; I910-T912 WeakPolarHBondContact CG2-OG1 3.25Å | ||
| 911 | L | 23.5 | Very low | 21.9 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 93% | 0.927 | 76% | 0.755 | S | S | * | * | trans | -77.6 | 109.5 | 145.1 | -87.8 | 164.3 | 0 | 0 | 0 | 106.4 | ||||
| 912 | T | 22.8 | Very low | 21.9 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | trans | -149 | 116.2 | 153.3 | 5.3 | 0 | 0 | 0 | 0 | 109.8 | I910 L914 | I910-T912 VanDerWaalsContact CG2-OG1 3.24Å; I910-T912 WeakPolarHBondContact CG2-OG1 3.25Å; T912-L914 PolarHBondContact O-N 3.19Å | ||
| 913 | N | 21.6 | Very low | 21.9 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | -27 | 99.7 | 160.8 | -67.7 | -36.9 | 0 | 0 | 0 | 112.5 | ||||
| 914 | L | 20.2 | Very low | 22.4 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -107 | 93 | 151.5 | -118 | 111.2 | 0 | 0 | 0 | 107.1 | T912 L916 | T912-L914 PolarHBondContact O-N 3.19Å; L914-L916 HydrophobicContact CD2-CD1 3.7Å; L914-L916 HydrophobicContact CD2-CG 4Å; L914-L916 PolarHBondContact O-N 2.87Å | ||
| 915 | S | 20.2 | Very low | 23 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -56.8 | 83.3 | 161.2 | -42.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 916 | L | 20.1 | Very low | 24.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 51% | 0.508 | 72% | 0.724 | S | S | . | * | trans | -98.2 | 96.1 | 165.6 | -86.4 | 160.9 | 0 | 0 | 0 | 107.7 | L914 L918 | L914-L916 HydrophobicContact CD2-CD1 3.7Å; L914-L916 HydrophobicContact CD2-CG 4Å; L914-L916 PolarHBondContact O-N 2.87Å; L916-L918 PolarHBondContact O-N 3.37Å | ||
| 917 | N | 21 | Very low | 25.4 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | -53.4 | 86.5 | 151.4 | -82.8 | -25.3 | 0 | 0 | 0 | 108.2 | ||||
| 918 | L | 21.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 71% | 0.707 | 71% | 0.709 | S | S | * | * | trans | -101.4 | 104.9 | 161 | -85.8 | 160.9 | 0 | 0 | 0 | 106.3 | L916 M920 | L916-L918 PolarHBondContact O-N 3.37Å; L918-M920 PolarHBondContact O-N 3.42Å; L918-M920 VanDerWaalsContact O-N 3.11Å | ||
| 919 | S | 22.3 | Very low | 28.1 | Very low | 88 Ų | 88 | 120.3 Ų | 120.3 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | trans | -44.3 | 116.9 | 164.4 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | T921 | S919-T921 PolarHBondContact O-N 3.45Š| ||
| 920 | M | 21.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 124 Ų | 124 | 82% | 0.823 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -63 | 10.1 | 176.2 | -83.7 | -178.2 | 37.9 | 0 | 0 | 114.4 | L918 N922 | L918-M920 PolarHBondContact O-N 3.42Å; L918-M920 VanDerWaalsContact O-N 3.11Å; M920-N922 VanDerWaalsContact C-N 3.33Å; M920-N922 PolarHBondContact O-N 2.95Å |
| 921 | T | 24.7 | Very low | 30.8 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -79.3 | -6.9 | -172.7 | 40 | 0 | 0 | 0 | 0 | 115 | S919 | S919-T921 PolarHBondContact O-N 3.45Š|
| 922 | N | 24.5 | Very low | 32.2 | Very low | 149 Ų | 149 | 114.3 Ų | 114.3 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -116.9 | 16.1 | -179.2 | -77.9 | 7.5 | 0 | 0 | 0 | 115.6 | M920 G924 | M920-N922 VanDerWaalsContact C-N 3.33Å; M920-N922 PolarHBondContact O-N 2.95Å; N922-G924 PolarHBondContact O-N 3.34Å |
| 923 | L | 25.7 | Very low | 33.8 | Very low | 158 Ų | 158 | 111.6 Ų | 111.6 | 83% | 0.827 | 63% | 0.629 | S | S | * | * | trans | -76.4 | 73.5 | 164 | -73.8 | 171.3 | 0 | 0 | 0 | 109.1 | M925 | L923-M925 PolarHBondContact O-N 2.8Š| ||
| 924 | G | 31.8 | Very low | 35.3 | Very low | 67 Ų | 67 | 109.4 Ų | 109.4 | 69% | 0.691 | 62% | 0.617 | S | S | * | * | trans | -66.3 | 118.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | N922 N926 | N922-G924 PolarHBondContact O-N 3.34Å; G924-N926 PolarHBondContact O-N 3.47Å | ||
| 925 | M | 32.6 | Very low | 36.9 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | trans | -75.6 | 111.6 | 169 | -140.3 | 174.2 | 77.1 | 0 | 0 | 107.6 | L923 D927 R930 | L923-M925 PolarHBondContact O-N 2.8Å; M925-D927 PolarHBondContact O-N 2.64Å; M925-R930 HydrophobicContact CE-CB 4.15Å; M925-R930 HydrophobicContact CE-CG 3.8Å; M925-R930 PolarHBondContact O-NH2 3.13Å; M925-R930 VanDerWaalsContact O-NH2 3.11Å | ||
| 926 | N | 42.9 | Very low | 38.5 | Very low | 54 Ų | 54 | 106.9 Ų | 106.9 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | trans | -56.7 | 132.1 | -179.5 | -172.9 | -48.1 | 0 | 0 | 0 | 110.4 | G924 H928 F929 R930 | G924-N926 PolarHBondContact O-N 3.47Å; N926-H928 PolarHBondContact O-N 2.9Å; N926-H928 VanDerWaalsContact OD1-CB 3.25Å; N926-H928 WeakPolarHBondContact OD1-CB 3.42Å; N926-H928 PolarHBondContact OD1-N 2.82Å; N926-F929 HydrophobicContact CB-CD2 4.28Å; N926-F929 PolarHBondContact O-N 2.77Å; N926-R930 PolarHBondContact O-N 3.47Å | ||
| 927 | D | 47.8 | Very low | 39.9 | Very low | 113 Ų | 113 | 103.7 Ų | 103.7 | 60% | 0.604 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -58.7 | -29.7 | -178.1 | -77.5 | -36.9 | 0 | 0 | 0 | 112.9 | M925 F929 R930 | M925-D927 PolarHBondContact O-N 2.64Å; D927-F929 VanDerWaalsContact C-N 3.27Å; D927-F929 PolarHBondContact O-N 2.88Å; D927-R930 WeakPolarHBondContact O-CB 3.44Å; D927-R930 PolarHBondContact O-N 2.87Å; D927-R930 VanDerWaalsContact O-N 3.16Å; D927-R930 IonicContact OD1-CZ 3.49Å; D927-R930 IonicContact OD1-NE 3.32Å; D927-R930 PolarHBondContact OD1-NE 3.46Å; D927-R930 IonicContact OD1-NH1 3.4Å; D927-R930 PolarHBondContact OD1-NH1 2.81Å; D927-R930 IonicContact OD1-NH2 3.95Å |
| 928 | H | 49.2 | Very low | 41.3 | Very low | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -59.3 | -36.8 | 179.1 | -170.8 | 79.4 | 0 | 0 | 0 | 112.8 | N926 | N926-H928 PolarHBondContact O-N 2.9Å; N926-H928 VanDerWaalsContact OD1-CB 3.25Å; N926-H928 WeakPolarHBondContact OD1-CB 3.42Å; N926-H928 PolarHBondContact OD1-N 2.82Å |
| 929 | F | 52.3 | Low | 42.8 | Very low | 47 Ų | 47 | 95 Ų | 95 | 21% | 0.206 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -99.7 | -1.7 | 179.8 | -55.6 | -70 | 0 | 0 | 0 | 112.9 | N926 D927 G931 M932 I937 W1035 | N926-F929 HydrophobicContact CB-CD2 4.28Å; N926-F929 PolarHBondContact O-N 2.77Å; D927-F929 VanDerWaalsContact C-N 3.27Å; D927-F929 PolarHBondContact O-N 2.88Å; F929-G931 PolarHBondContact O-N 3.48Å; F929-G931 VanDerWaalsContact O-N 3.11Å; F929-M932 HydrophobicContact CD1-CE 4.26Å; F929-M932 HydrophobicContact CD1-SD 4.03Å; F929-M932 PolarHBondContact O-N 3.05Å; F929-I937 HydrophobicContact CD1-CG1 4.25Å; F929-W1035 HydrophobicContact CZ-CH2 4.33Å; F929-W1035 HydrophobicContact CZ-CZ3 4.43Å |
| 930 | R | 49.3 | Very low | 44.2 | Very low | 147 Ų | 147 | 95.9 Ų | 95.9 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 111.3 | -175.8 | -173.9 | 177.3 | -76.9 | 173.1 | -3.4 | 109.6 | M925 N926 D927 | M925-R930 HydrophobicContact CE-CB 4.15Å; M925-R930 HydrophobicContact CE-CG 3.8Å; M925-R930 PolarHBondContact O-NH2 3.13Å; M925-R930 VanDerWaalsContact O-NH2 3.11Å; N926-R930 PolarHBondContact O-N 3.47Å; D927-R930 WeakPolarHBondContact O-CB 3.44Å; D927-R930 PolarHBondContact O-N 2.87Å; D927-R930 VanDerWaalsContact O-N 3.16Å; D927-R930 IonicContact OD1-CZ 3.49Å; D927-R930 IonicContact OD1-NE 3.32Å; D927-R930 PolarHBondContact OD1-NE 3.46Å; D927-R930 IonicContact OD1-NH1 3.4Å; D927-R930 PolarHBondContact OD1-NH1 2.81Å; D927-R930 IonicContact OD1-NH2 3.95Å |
| 931 | G | 52 | Low | 45.3 | Very low | 80 Ų | 80 | 89.4 Ų | 89.4 | 83% | 0.825 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | 0.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | F929 | F929-G931 PolarHBondContact O-N 3.48Å; F929-G931 VanDerWaalsContact O-N 3.11Å |
| 932 | M | 52.1 | Low | 46.2 | Very low | 49 Ų | 49 | 86.3 Ų | 86.3 | 24% | 0.241 | 50% | 0.495 | C | S | . | . | trans | -78.5 | 145.5 | 170.8 | -73.8 | 175 | 52.6 | 0 | 0 | 111.6 | F929 D936 I937 L940 | F929-M932 HydrophobicContact CD1-CE 4.26Å; F929-M932 HydrophobicContact CD1-SD 4.03Å; F929-M932 PolarHBondContact O-N 3.05Å; M932-D936 HydrophobicContact CB-CB 4.23Å; M932-D936 HydrophobicContact CE-CB 3.77Å; M932-D936 HydrophobicContact CG-CB 4.49Å; M932-I937 HydrophobicContact CB-CG1 4.07Å; M932-I937 HydrophobicContact CE-CB 4.29Å; M932-I937 HydrophobicContact CE-CG1 3.62Å; M932-L940 HydrophobicContact CE-CD1 3.26Å; M932-L940 HydrophobicContact SD-CD1 4.05Å | ||
| 933 | S | 56.7 | Low | 46.8 | Very low | 52 Ų | 52 | 80.8 Ų | 80.8 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -75.1 | 160.2 | 169.2 | 73.6 | 0 | 0 | 0 | 0 | 110.9 | D935 D936 I937 | S933-D935 PolarHBondContact O-N 3Å; S933-D936 WeakPolarHBondContact CB-OD2 3.33Å; S933-D936 PolarHBondContact N-OD2 2.98Å; S933-D936 PolarHBondContact O-N 3.05Å; S933-D936 VanDerWaalsContact O-N 3.14Å; S933-D936 PolarHBondContact OG-N 3.46Å; S933-D936 PolarHBondContact OG-OD2 3.45Å; S933-I937 WeakPolarHBondContact O-CG1 3.28Å; S933-I937 PolarHBondContact O-N 2.89Å | ||
| 934 | L | 53.8 | Low | 47.2 | Very low | 114 Ų | 114 | 84.4 Ų | 84.4 | 60% | 0.597 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.5 | -33.4 | 175 | -167.3 | 76.4 | 0 | 0 | 0 | 111.4 | I937 N938 | L934-I937 PolarHBondContact O-N 3.39Å; L934-N938 WeakPolarHBondContact O-CB 3.3Å; L934-N938 PolarHBondContact O-N 2.86Å; L934-N938 PolarHBondContact O-ND2 2.68Å |
| 935 | D | 52.2 | Low | 47.1 | Very low | 121 Ų | 121 | 86.2 Ų | 86.2 | 65% | 0.647 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.9 | -38.3 | 178 | -64.2 | -28 | 0 | 0 | 0 | 111.6 | S933 I937 N938 A939 | S933-D935 PolarHBondContact O-N 3Å; D935-I937 VanDerWaalsContact C-N 3.35Å; D935-N938 PolarHBondContact O-N 3.47Å; D935-A939 WeakPolarHBondContact O-CB 3.36Å; D935-A939 PolarHBondContact O-N 2.83Å |
| 936 | D | 55.2 | Low | 47.1 | Very low | 84 Ų | 84 | 86.8 Ų | 86.8 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 174 | -59.2 | -49.3 | 0 | 0 | 0 | 111.3 | M932 S933 A939 L940 | M932-D936 HydrophobicContact CB-CB 4.23Å; M932-D936 HydrophobicContact CE-CB 3.77Å; M932-D936 HydrophobicContact CG-CB 4.49Å; S933-D936 WeakPolarHBondContact CB-OD2 3.33Å; S933-D936 PolarHBondContact N-OD2 2.98Å; S933-D936 PolarHBondContact O-N 3.05Å; S933-D936 VanDerWaalsContact O-N 3.14Å; S933-D936 PolarHBondContact OG-N 3.46Å; S933-D936 PolarHBondContact OG-OD2 3.45Å; D936-A939 PolarHBondContact O-N 3.45Å; D936-L940 WeakPolarHBondContact O-CB 3.37Å; D936-L940 PolarHBondContact O-N 2.9Å |
| 937 | I | 50.1 | Low | 46.5 | Very low | 31 Ų | 31 | 91.3 Ų | 91.3 | 16% | 0.159 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 174.7 | -63.5 | 172.1 | 0 | 0 | 0 | 110 | F929 M932 S933 L934 D935 A939 L940 M941 I1010 | F929-I937 HydrophobicContact CD1-CG1 4.25Å; M932-I937 HydrophobicContact CB-CG1 4.07Å; M932-I937 HydrophobicContact CE-CB 4.29Å; M932-I937 HydrophobicContact CE-CG1 3.62Å; S933-I937 WeakPolarHBondContact O-CG1 3.28Å; S933-I937 PolarHBondContact O-N 2.89Å; L934-I937 PolarHBondContact O-N 3.39Å; D935-I937 VanDerWaalsContact C-N 3.35Å; I937-A939 VanDerWaalsContact C-N 3.34Å; I937-A939 PolarHBondContact O-N 2.98Å; I937-L940 PolarHBondContact O-N 2.67Å; I937-M941 HydrophobicContact CG2-CE 4.47Å; I937-M941 HydrophobicContact CG2-CG 4.11Å; I937-M941 VanDerWaalsContact O-CB 3.3Å; I937-M941 WeakPolarHBondContact O-CB 3.29Å; I937-M941 VanDerWaalsContact O-CG 3.22Å; I937-M941 WeakPolarHBondContact O-CG 3.31Å; I937-M941 PolarHBondContact O-N 3.44Å; I937-I1010 HydrophobicContact CG2-CG2 4.2Å |
| 938 | N | 49.4 | Very low | 45.7 | Very low | 43 Ų | 43 | 88 Ų | 88 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.7 | -71.7 | -23.6 | 0 | 0 | 0 | 111.6 | L934 D935 L940 M941 A942 I1010 E1011 | L934-N938 WeakPolarHBondContact O-CB 3.3Å; L934-N938 PolarHBondContact O-N 2.86Å; L934-N938 PolarHBondContact O-ND2 2.68Å; D935-N938 PolarHBondContact O-N 3.47Å; N938-L940 PolarHBondContact O-N 3.01Å; N938-M941 PolarHBondContact O-N 3.02Å; N938-A942 VanDerWaalsContact O-CB 3.24Å; N938-A942 WeakPolarHBondContact O-CB 3.47Å; N938-A942 PolarHBondContact O-N 3.34Å; N938-I1010 WeakPolarHBondContact OD1-CG2 3.42Å; N938-E1011 HydrophobicContact CB-CG 4.45Å |
| 939 | A | 52.5 | Low | 45.1 | Very low | 77 Ų | 77 | 88.2 Ų | 88.2 | 64% | 0.636 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D935 D936 I937 | D935-A939 WeakPolarHBondContact O-CB 3.36Å; D935-A939 PolarHBondContact O-N 2.83Å; D936-A939 PolarHBondContact O-N 3.45Å; I937-A939 VanDerWaalsContact C-N 3.34Å; I937-A939 PolarHBondContact O-N 2.98Å |
| 940 | L | 50.9 | Low | 44.1 | Very low | 108 Ų | 108 | 92 Ų | 92 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.6 | -36.7 | 175.6 | -100.1 | 149 | 0 | 0 | 0 | 113 | M932 D936 I937 N938 | M932-L940 HydrophobicContact CE-CD1 3.26Å; M932-L940 HydrophobicContact SD-CD1 4.05Å; D936-L940 WeakPolarHBondContact O-CB 3.37Å; D936-L940 PolarHBondContact O-N 2.9Å; I937-L940 PolarHBondContact O-N 2.67Å; N938-L940 PolarHBondContact O-N 3.01Å |
| 941 | M | 46.5 | Very low | 43.2 | Very low | 30 Ų | 30 | 90.4 Ų | 90.4 | 15% | 0.148 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -88.6 | -8 | -176.5 | -66.6 | -118.8 | -73.8 | 0 | 0 | 113.6 | I937 N938 A943 I1010 E1011 T1012 W1035 | I937-M941 HydrophobicContact CG2-CE 4.47Å; I937-M941 HydrophobicContact CG2-CG 4.11Å; I937-M941 VanDerWaalsContact O-CB 3.3Å; I937-M941 WeakPolarHBondContact O-CB 3.29Å; I937-M941 VanDerWaalsContact O-CG 3.22Å; I937-M941 WeakPolarHBondContact O-CG 3.31Å; I937-M941 PolarHBondContact O-N 3.44Å; N938-M941 PolarHBondContact O-N 3.02Å; M941-A943 PolarHBondContact O-N 3.2Å; M941-I1010 HydrophobicContact CE-CB 3.85Å; M941-I1010 HydrophobicContact CE-CG2 3.82Å; M941-E1011 HydrophobicContact CB-CB 3.77Å; M941-T1012 CarbonylContact O-C 3.49Å; M941-W1035 HydrophobicContact SD-CH2 4.09Å; M941-W1035 HydrophobicContact SD-CZ2 3.97Å |
| 942 | A | 41.8 | Very low | 42.1 | Very low | 52 Ų | 52 | 90.5 Ų | 90.5 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | trans | -73 | 88.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N938 R944 | N938-A942 VanDerWaalsContact O-CB 3.24Å; N938-A942 WeakPolarHBondContact O-CB 3.47Å; N938-A942 PolarHBondContact O-N 3.34Å; A942-R944 PolarHBondContact O-N 3.43Å | ||
| 943 | A | 37 | Very low | 41.1 | Very low | 34 Ų | 34 | 91 Ų | 91 | 28% | 0.281 | 49% | 0.49 | S | S | . | . | trans | -66.7 | 117.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | M941 L945 T1012 | M941-A943 PolarHBondContact O-N 3.2Å; A943-L945 VanDerWaalsContact C-N 3.32Å; A943-L945 PolarHBondContact O-N 3.04Å; A943-T1012 WeakPolarHBondContact CB-O 3.5Å; A943-T1012 PolarHBondContact N-O 3.36Å | ||
| 944 | R | 34.4 | Very low | 39.9 | Very low | 233 Ų | 233 | 91.8 Ų | 91.8 | 88% | 0.879 | 49% | 0.492 | S | S | * | . | trans | -63.7 | 98 | 164.2 | -73.7 | -173.9 | -178.7 | 177.5 | 2.9 | 107.7 | A942 D946 | A942-R944 PolarHBondContact O-N 3.43Å; R944-D946 PolarHBondContact O-N 2.95Å | ||
| 945 | L | 30.7 | Very low | 38.7 | Very low | 106 Ų | 106 | 90.1 Ų | 90.1 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 58.2 | 176.4 | -76 | 161.8 | 0 | 0 | 0 | 111.4 | A943 H947 A948 T1012 | A943-L945 VanDerWaalsContact C-N 3.32Å; A943-L945 PolarHBondContact O-N 3.04Å; L945-H947 VanDerWaalsContact C-N 3.33Å; L945-A948 HydrophobicContact CD2-CB 4.33Å; L945-T1012 HydrophobicContact CD1-CG2 3.9Å; L945-T1012 HydrophobicContact CD2-CG2 4.2Å; L945-T1012 HydrophobicContact CG-CG2 4.35Å |
| 946 | D | 32.1 | Very low | 37.9 | Very low | 134 Ų | 134 | 88.9 Ų | 88.9 | 72% | 0.717 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.3 | 153.8 | -103.7 | -20.3 | 0 | 0 | 0 | 110.6 | R944 | R944-D946 PolarHBondContact O-N 2.95Š|
| 947 | H | 31.5 | Very low | 36.8 | Very low | 148 Ų | 148 | 90.2 Ų | 90.2 | 69% | 0.685 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -0.9 | -176.8 | -83.4 | -143.5 | 0 | 0 | 0 | 115.1 | L945 E949 L950 F951 | L945-H947 VanDerWaalsContact C-N 3.33Å; H947-E949 PolarHBondContact O-N 3.22Å; H947-E949 VanDerWaalsContact O-N 3.14Å; H947-L950 PolarHBondContact O-N 3.48Å; H947-L950 VanDerWaalsContact O-N 3.15Å; H947-F951 PolarHBondContact O-N 3.14Å |
| 948 | A | 30.2 | Very low | 35.9 | Very low | 44 Ų | 44 | 92.6 Ų | 92.6 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -25.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L945 F951 N952 | L945-A948 HydrophobicContact CD2-CB 4.33Å; A948-F951 PolarHBondContact O-N 2.79Å; A948-N952 PolarHBondContact O-N 2.78Å |
| 949 | E | 36.7 | Very low | 35.2 | Very low | 119 Ų | 119 | 95.7 Ų | 95.7 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -36.6 | 176.9 | -69.4 | -168.2 | 148.1 | 0 | 0 | 113.6 | H947 F951 S953 | H947-E949 PolarHBondContact O-N 3.22Å; H947-E949 VanDerWaalsContact O-N 3.14Å; E949-F951 VanDerWaalsContact C-N 3.32Å; E949-S953 WeakPolarHBondContact O-CB 3.07Å; E949-S953 PolarHBondContact O-N 2.92Å; E949-S953 PolarHBondContact O-OG 3.03Å |
| 950 | L | 30.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 99 Ų | 99 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.8 | -34.3 | 175.3 | -145.4 | 88.8 | 0 | 0 | 0 | 110.5 | H947 T954 | H947-L950 PolarHBondContact O-N 3.48Å; H947-L950 VanDerWaalsContact O-N 3.15Å; L950-T954 WeakPolarHBondContact O-CB 3.44Å; L950-T954 PolarHBondContact O-N 3.46Å; L950-T954 PolarHBondContact O-OG1 3.04Å |
| 951 | F | 30.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 99.7 Ų | 99.7 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 177.9 | -158.3 | -96.2 | 0 | 0 | 0 | 111.7 | H947 A948 E949 T954 M955 I1017 | H947-F951 PolarHBondContact O-N 3.14Å; A948-F951 PolarHBondContact O-N 2.79Å; E949-F951 VanDerWaalsContact C-N 3.32Å; F951-T954 PolarHBondContact O-N 3.48Å; F951-M955 HydrophobicContact CD1-CG 4.38Å; F951-M955 HydrophobicContact CE1-CE 3.83Å; F951-M955 HydrophobicContact CE1-CG 4.3Å; F951-M955 HydrophobicContact CZ-CE 3.94Å; F951-M955 PolarHBondContact O-N 2.87Å; F951-I1017 HydrophobicContact CZ-CD1 4.45Å |
| 952 | N | 30.2 | Very low | 33 | Very low | 83 Ų | 83 | 104 Ų | 104 | 44% | 0.444 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.6 | -37 | 176.7 | -76 | -3.8 | 0 | 0 | 0 | 112.9 | A948 T954 M955 D956 | A948-N952 PolarHBondContact O-N 2.78Å; N952-T954 PolarHBondContact O-N 3.48Å; N952-M955 PolarHBondContact O-N 2.64Å; N952-M955 VanDerWaalsContact O-N 3.13Å; N952-D956 PolarHBondContact O-N 3.5Å |
| 953 | S | 31.1 | Very low | 33 | Very low | 60 Ų | 60 | 110.6 Ų | 110.6 | 42% | 0.42 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.9 | -32.7 | 173.2 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | E949 I957 | E949-S953 WeakPolarHBondContact O-CB 3.07Å; E949-S953 PolarHBondContact O-N 2.92Å; E949-S953 PolarHBondContact O-OG 3.03Å; S953-I957 WeakPolarHBondContact O-CD1 3.26Å; S953-I957 WeakPolarHBondContact O-CG1 3.45Å; S953-I957 PolarHBondContact O-N 3.07Å |
| 954 | T | 30.3 | Very low | 33.1 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -75.6 | -33.1 | 175.3 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | L950 F951 N952 I957 L958 | L950-T954 WeakPolarHBondContact O-CB 3.44Å; L950-T954 PolarHBondContact O-N 3.46Å; L950-T954 PolarHBondContact O-OG1 3.04Å; F951-T954 PolarHBondContact O-N 3.48Å; N952-T954 PolarHBondContact O-N 3.48Å; T954-I957 PolarHBondContact O-N 3.09Å; T954-L958 HydrophobicContact CG2-CD1 4.4Å; T954-L958 VanDerWaalsContact O-CG 3.28Å; T954-L958 WeakPolarHBondContact O-CG 3.34Å; T954-L958 PolarHBondContact O-N 2.89Å; T954-L958 VanDerWaalsContact O-N 3.12Å |
| 955 | M | 29.7 | Very low | 33.9 | Very low | 79 Ų | 79 | 110.4 Ų | 110.4 | 39% | 0.389 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.5 | -36.3 | 173.2 | -76.8 | -64.9 | 175.4 | 0 | 0 | 113 | F951 N952 I957 L958 D959 | F951-M955 HydrophobicContact CD1-CG 4.38Å; F951-M955 HydrophobicContact CE1-CE 3.83Å; F951-M955 HydrophobicContact CE1-CG 4.3Å; F951-M955 HydrophobicContact CZ-CE 3.94Å; F951-M955 PolarHBondContact O-N 2.87Å; N952-M955 PolarHBondContact O-N 2.64Å; N952-M955 VanDerWaalsContact O-N 3.13Å; M955-I957 PolarHBondContact O-N 2.66Å; M955-L958 HydrophobicContact CE-CD1 4.26Å; M955-L958 CarbonylContact O-C 3.52Å; M955-L958 WeakPolarHBondContact O-CA 3.32Å; M955-L958 PolarHBondContact O-N 2.91Å; M955-L958 HydrophobicContact SD-CB 4.31Å; M955-L958 HydrophobicContact SD-CD1 3.77Å; M955-D959 PolarHBondContact O-N 2.84Å |
| 956 | D | 33.4 | Very low | 35.1 | Very low | 96 Ų | 96 | 110.6 Ų | 110.6 | 51% | 0.513 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.6 | -32.2 | 171.6 | -73.7 | -20.7 | 0 | 0 | 0 | 111 | R788 N952 L958 | R788-D956 IonicContact NH2-OD2 3.12Å; N952-D956 PolarHBondContact O-N 3.5Å; D956-L958 VanDerWaalsContact C-N 3.32Å |
| 957 | I | 34.1 | Very low | 36.7 | Very low | 111 Ų | 111 | 107.4 Ų | 107.4 | 57% | 0.569 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74 | -22.9 | 171.8 | -66.5 | 167.5 | 0 | 0 | 0 | 111.9 | S953 T954 M955 F961 | S953-I957 WeakPolarHBondContact O-CD1 3.26Å; S953-I957 WeakPolarHBondContact O-CG1 3.45Å; S953-I957 PolarHBondContact O-N 3.07Å; T954-I957 PolarHBondContact O-N 3.09Å; M955-I957 PolarHBondContact O-N 2.66Å; I957-F961 WeakPolarHBondContact O-CD2 3.24Å |
| 958 | L | 30.2 | Very low | 38.5 | Very low | 81 Ų | 81 | 107.9 Ų | 107.9 | 42% | 0.424 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -90.2 | -26.7 | -179.9 | -72 | 166.4 | 0 | 0 | 0 | 113.4 | T954 M955 D956 D960 F961 | T954-L958 HydrophobicContact CG2-CD1 4.4Å; T954-L958 VanDerWaalsContact O-CG 3.28Å; T954-L958 WeakPolarHBondContact O-CG 3.34Å; T954-L958 PolarHBondContact O-N 2.89Å; T954-L958 VanDerWaalsContact O-N 3.12Å; M955-L958 HydrophobicContact CE-CD1 4.26Å; M955-L958 CarbonylContact O-C 3.52Å; M955-L958 WeakPolarHBondContact O-CA 3.32Å; M955-L958 PolarHBondContact O-N 2.91Å; M955-L958 HydrophobicContact SD-CB 4.31Å; M955-L958 HydrophobicContact SD-CD1 3.77Å; D956-L958 VanDerWaalsContact C-N 3.32Å; L958-D960 PolarHBondContact O-N 3.2Å; L958-F961 HydrophobicContact CD2-CD2 4.28Å; L958-F961 WeakPolarHBondContact O-CA 3.4Å; L958-F961 WeakPolarHBondContact O-CB 3.02Å; L958-F961 PolarHBondContact O-N 3.47Å |
| 959 | D | 33.8 | Very low | 40.4 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.8 | -26.3 | 173.2 | -88.3 | -9.5 | 0 | 0 | 0 | 112.1 | M955 F961 T962 | M955-D959 PolarHBondContact O-N 2.84Å; D959-F961 PolarHBondContact O-N 2.73Å; D959-F961 VanDerWaalsContact O-N 3.16Å; D959-T962 WeakPolarHBondContact O-CB 3.36Å; D959-T962 WeakPolarHBondContact O-CG2 3.17Å; D959-T962 PolarHBondContact O-N 3.39Å; D959-T962 VanDerWaalsContact O-N 3.16Å; D959-T962 PolarHBondContact O-OG1 3.16Å |
| 960 | D | 34.5 | Very low | 42 | Very low | 146 Ų | 146 | 108.5 Ų | 108.5 | 78% | 0.781 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -11.3 | 168.6 | -87.9 | -7.7 | 0 | 0 | 0 | 113.2 | L958 | L958-D960 PolarHBondContact O-N 3.2Š|
| 961 | F | 32.2 | Very low | 43.7 | Very low | 124 Ų | 124 | 103.4 Ų | 103.4 | 54% | 0.544 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 7.7 | 174 | -76 | -88.4 | 0 | 0 | 0 | 114.2 | I957 L958 D959 E963 A964 | I957-F961 WeakPolarHBondContact O-CD2 3.24Å; L958-F961 HydrophobicContact CD2-CD2 4.28Å; L958-F961 WeakPolarHBondContact O-CA 3.4Å; L958-F961 WeakPolarHBondContact O-CB 3.02Å; L958-F961 PolarHBondContact O-N 3.47Å; D959-F961 PolarHBondContact O-N 2.73Å; D959-F961 VanDerWaalsContact O-N 3.16Å; F961-E963 PolarHBondContact O-N 3.05Å; F961-A964 WeakPolarHBondContact O-CB 3.22Å; F961-A964 PolarHBondContact O-N 3.35Å |
| 962 | T | 39 | Very low | 44.9 | Very low | 119 Ų | 119 | 100.1 Ų | 100.1 | 73% | 0.73 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -12.1 | -178.3 | 41.5 | 0 | 0 | 0 | 0 | 115.1 | D959 | D959-T962 WeakPolarHBondContact O-CB 3.36Å; D959-T962 WeakPolarHBondContact O-CG2 3.17Å; D959-T962 PolarHBondContact O-N 3.39Å; D959-T962 VanDerWaalsContact O-N 3.16Å; D959-T962 PolarHBondContact O-OG1 3.16Å |
| 963 | E | 39.9 | Very low | 46 | Very low | 192 Ų | 192 | 101.8 Ų | 101.8 | 90% | 0.897 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -9.5 | 170.8 | -69.7 | -167.8 | 166.1 | 0 | 0 | 114.7 | F961 K965 | F961-E963 PolarHBondContact O-N 3.05Å; E963-K965 PolarHBondContact O-N 3.2Å |
| 964 | A | 40.5 | Very low | 47 | Very low | 48 Ų | 48 | 104.1 Ų | 104.1 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -77.8 | 119.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F961 L966 | F961-A964 WeakPolarHBondContact O-CB 3.22Å; F961-A964 PolarHBondContact O-N 3.35Å; A964-L966 HydrophobicContact CB-CD2 4.33Å; A964-L966 HydrophobicContact CB-CG 4.47Å; A964-L966 PolarHBondContact O-N 3.31Å |
| 965 | K | 50 | Low | 48 | Very low | 215 Ų | 215 | 107.2 Ų | 107.2 | 94% | 0.935 | 54% | 0.536 | S | S | * | . | trans | -62.9 | 86.6 | 163.2 | -77.7 | -175.4 | 178.2 | 179.1 | 0 | 109.2 | E963 | E963-K965 PolarHBondContact O-N 3.2Š| ||
| 966 | L | 56.4 | Low | 48.7 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | trans | -71 | 143 | 173.9 | -65.5 | 175.4 | 0 | 0 | 0 | 109.8 | A964 W1020 | A964-L966 HydrophobicContact CB-CD2 4.33Å; A964-L966 HydrophobicContact CB-CG 4.47Å; A964-L966 PolarHBondContact O-N 3.31Å; L966-W1020 HydrophobicContact CB-CZ2 4.16Å; L966-W1020 HydrophobicContact CD1-CZ2 4.32Å; L966-W1020 HydrophobicContact CD2-CH2 4.4Å; L966-W1020 HydrophobicContact CD2-CZ2 4.18Å; L966-W1020 HydrophobicContact CG-CZ2 4.46Å | ||
| 967 | P | 65.1 | Low | 49 | Very low | 66 Ų | 66 | 113.5 Ų | 113.5 | 43% | 0.429 | 55% | 0.553 | S | S | . | * | trans | -67.4 | 146.9 | 177.6 | 29.3 | -35.2 | 0 | 0 | 0 | 111.1 | K969 F970 W1020 | P967-K969 WeakPolarHBondContact CB-O 3.39Å; P967-K969 PolarHBondContact O-N 3.2Å; P967-K969 VanDerWaalsContact O-N 3.12Å; P967-F970 HydrophobicContact CG-CB 4.07Å; P967-F970 HydrophobicContact CG-CD2 4.21Å; P967-W1020 PolarHBondContact O-NE1 2.76Å | ||
| 968 | E | 70.2 | Confident | 49.2 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -58.2 | -25.7 | 178.9 | -76.4 | -165.3 | 142.8 | 0 | 0 | 113.2 | G1021 K1022 | E968-G1021 WeakPolarHBondContact O-CA 3.48Å; E968-K1022 PolarHBondContact O-N 2.77Å |
| 969 | K | 70.5 | Confident | 49.3 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -133.8 | 130.6 | 171.6 | -175.1 | -179.1 | 176.9 | -172.8 | 0 | 108.5 | P967 | P967-K969 WeakPolarHBondContact CB-O 3.39Å; P967-K969 PolarHBondContact O-N 3.2Å; P967-K969 VanDerWaalsContact O-N 3.12Å |
| 970 | F | 70.1 | Confident | 49 | Very low | 53 Ų | 53 | 117.8 Ų | 117.8 | 23% | 0.232 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -133 | 129.3 | 175.5 | 178.3 | -102.3 | 0 | 0 | 0 | 109.8 | P967 A972 K975 G1019 W1020 | P967-F970 HydrophobicContact CG-CB 4.07Å; P967-F970 HydrophobicContact CG-CD2 4.21Å; F970-A972 HydrophobicContact CE1-CB 3.94Å; F970-A972 HydrophobicContact CZ-CB 4.25Å; F970-K975 HydrophobicContact CE2-CG 4.14Å; F970-G1019 CarbonylContact O-C 3.37Å; F970-G1019 WeakPolarHBondContact O-CA 3.35Å; F970-W1020 HydrophobicContact CB-CD2 3.57Å; F970-W1020 HydrophobicContact CB-CE3 3.91Å; F970-W1020 HydrophobicContact CB-CG 4.23Å; F970-W1020 HydrophobicContact CB-CH2 3.61Å; F970-W1020 HydrophobicContact CB-CZ2 3.23Å; F970-W1020 HydrophobicContact CB-CZ3 3.94Å; F970-W1020 HydrophobicContact CD1-CD2 4.17Å; F970-W1020 AromaticContact CD1-CE3 3.59Å; F970-W1020 HydrophobicContact CD1-CE3 3.59Å; F970-W1020 AromaticContact CD1-CH2 3.28Å; F970-W1020 HydrophobicContact CD1-CH2 3.28Å; F970-W1020 AromaticContact CD1-CZ2 3.9Å; F970-W1020 HydrophobicContact CD1-CZ2 3.9Å; F970-W1020 AromaticContact CD1-CZ3 3.11Å; F970-W1020 HydrophobicContact CD1-CZ3 3.11Å; F970-W1020 HydrophobicContact CD2-CH2 4.1Å; F970-W1020 HydrophobicContact CD2-CZ2 4.26Å; F970-W1020 HydrophobicContact CE1-CE3 4.48Å; F970-W1020 AromaticContact CE1-CH2 3.88Å; F970-W1020 HydrophobicContact CE1-CH2 3.88Å; F970-W1020 AromaticContact CE1-CZ3 3.7Å; F970-W1020 HydrophobicContact CE1-CZ3 3.7Å; F970-W1020 HydrophobicContact CG-CD2 4.27Å; F970-W1020 AromaticContact CG-CE2 3.98Å; F970-W1020 HydrophobicContact CG-CE3 4.12Å; F970-W1020 AromaticContact CG-CH2 3.39Å; F970-W1020 HydrophobicContact CG-CH2 3.39Å; F970-W1020 AromaticContact CG-CZ2 3.55Å; F970-W1020 HydrophobicContact CG-CZ2 3.55Å; F970-W1020 AromaticContact CG-CZ3 3.71Å; F970-W1020 HydrophobicContact CG-CZ3 3.71Å; F970-W1020 PolarHBondContact N-O 3.48Å; F970-W1020 PolarHBondContact O-N 3.3Å; F970-W1020 VanDerWaalsContact O-O 3.07Å |
| 971 | D | 64.5 | Low | 48.8 | Very low | 17 Ų | 17 | 115.7 Ų | 115.7 | 9% | 0.091 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 113.1 | 171.3 | -170.8 | -22.5 | 0 | 0 | 0 | 108.3 | R973 E974 L1030 | D971-R973 VanDerWaalsContact CG-NE 3.29Å; D971-R973 PolarHBondContact O-N 3.04Å; D971-R973 WeakPolarHBondContact OD1-CB 3.09Å; D971-R973 WeakPolarHBondContact OD1-CG 3.3Å; D971-R973 IonicContact OD1-CZ 3.08Å; D971-R973 PolarHBondContact OD1-N 3.34Å; D971-R973 IonicContact OD1-NE 3.61Å; D971-R973 PolarHBondContact OD1-NE 2.99Å; D971-R973 IonicContact OD1-NH2 3.45Å; D971-R973 IonicContact OD2-CZ 3.06Å; D971-R973 VanDerWaalsContact OD2-CZ 3.23Å; D971-R973 IonicContact OD2-NE 2.69Å; D971-R973 PolarHBondContact OD2-NE 3.35Å; D971-R973 IonicContact OD2-NH2 2.57Å; D971-R973 PolarHBondContact OD2-NH2 2.99Å; D971-E974 HydrophobicContact CB-CB 4.38Å; D971-E974 HydrophobicContact CB-CG 4.04Å; D971-E974 PolarHBondContact O-N 2.88Å; D971-L1030 HydrophobicContact CB-CD1 4.33Å |
| 972 | A | 56.3 | Low | 48.5 | Very low | 45 Ų | 45 | 116.9 Ų | 116.9 | 37% | 0.372 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.4 | -20.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | F970 R976 V1018 | F970-A972 HydrophobicContact CE1-CB 3.94Å; F970-A972 HydrophobicContact CZ-CB 4.25Å; A972-R976 PolarHBondContact O-N 3.31Å; A972-V1018 VanDerWaalsContact CB-O 3.32Å; A972-V1018 WeakPolarHBondContact CB-O 3.4Å; A972-V1018 PolarHBondContact N-O 3.11Å |
| 973 | R | 53.3 | Low | 47.9 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 45% | 0.445 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.5 | -32.6 | 178.1 | -53.5 | 169.7 | -68.9 | -170.2 | 2 | 112.3 | D971 R976 K977 | D971-R973 VanDerWaalsContact CG-NE 3.29Å; D971-R973 PolarHBondContact O-N 3.04Å; D971-R973 WeakPolarHBondContact OD1-CB 3.09Å; D971-R973 WeakPolarHBondContact OD1-CG 3.3Å; D971-R973 IonicContact OD1-CZ 3.08Å; D971-R973 PolarHBondContact OD1-N 3.34Å; D971-R973 IonicContact OD1-NE 3.61Å; D971-R973 PolarHBondContact OD1-NE 2.99Å; D971-R973 IonicContact OD1-NH2 3.45Å; D971-R973 IonicContact OD2-CZ 3.06Å; D971-R973 VanDerWaalsContact OD2-CZ 3.23Å; D971-R973 IonicContact OD2-NE 2.69Å; D971-R973 PolarHBondContact OD2-NE 3.35Å; D971-R973 IonicContact OD2-NH2 2.57Å; D971-R973 PolarHBondContact OD2-NH2 2.99Å; R973-R976 WeakPolarHBondContact O-CB 3.39Å; R973-R976 PolarHBondContact O-N 3.22Å; R973-K977 PolarHBondContact O-N 3.29Å |
| 974 | E | 53.4 | Low | 47.1 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 51% | 0.514 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.5 | -44.5 | 177.3 | -72.1 | -176.7 | 170 | 0 | 0 | 111.4 | D971 R976 K977 E978 | D971-E974 HydrophobicContact CB-CB 4.38Å; D971-E974 HydrophobicContact CB-CG 4.04Å; D971-E974 PolarHBondContact O-N 2.88Å; E974-R976 PolarHBondContact O-N 2.97Å; E974-K977 WeakPolarHBondContact O-CB 3.2Å; E974-K977 PolarHBondContact O-N 2.83Å; E974-E978 PolarHBondContact O-N 2.64Å |
| 975 | K | 50.7 | Low | 46.4 | Very low | 131 Ų | 131 | 115.4 Ų | 115.4 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.7 | -31 | 171.5 | -85.9 | -115.6 | 176.5 | -178.5 | 0 | 112.9 | F970 R979 | F970-K975 HydrophobicContact CE2-CG 4.14Å; K975-R979 PolarHBondContact O-N 3.47Å |
| 976 | R | 43.9 | Very low | 45.2 | Very low | 150 Ų | 150 | 110.4 Ų | 110.4 | 57% | 0.566 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.5 | -33.2 | 176.1 | -149.9 | 170.7 | -172.3 | 153.3 | -3.9 | 111.9 | A972 R973 E974 A980 Y993 | A972-R976 PolarHBondContact O-N 3.31Å; R973-R976 WeakPolarHBondContact O-CB 3.39Å; R973-R976 PolarHBondContact O-N 3.22Å; E974-R976 PolarHBondContact O-N 2.97Å; R976-A980 WeakPolarHBondContact O-CB 3.38Å; R976-A980 PolarHBondContact O-N 3.13Å; R976-Y993 WeakPolarHBondContact CD-OH 3.35Å; R976-Y993 PolarHBondContact NE-OH 3.37Å; R976-Y993 VanDerWaalsContact NE-OH 3.08Å |
| 977 | K | 40.4 | Very low | 43.8 | Very low | 158 Ų | 158 | 115.1 Ų | 115.1 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.4 | -40.9 | 173.2 | -69.9 | -179.1 | 179 | 177.1 | 0 | 112.4 | R973 E974 A980 S981 | R973-K977 PolarHBondContact O-N 3.29Å; E974-K977 WeakPolarHBondContact O-CB 3.2Å; E974-K977 PolarHBondContact O-N 2.83Å; K977-A980 WeakPolarHBondContact O-CB 3.38Å; K977-A980 PolarHBondContact O-N 3.27Å; K977-S981 PolarHBondContact O-N 2.76Å |
| 978 | E | 38.6 | Very low | 42.1 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 60% | 0.603 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.5 | -46.9 | 173.4 | -86.8 | -174.5 | 151.9 | 0 | 0 | 111.7 | E974 A980 S981 L982 | E974-E978 PolarHBondContact O-N 2.64Å; E978-A980 VanDerWaalsContact C-N 3.3Å; E978-A980 PolarHBondContact O-N 3.48Å; E978-S981 PolarHBondContact O-N 3.48Å; E978-S981 PolarHBondContact O-OG 2.76Å; E978-L982 PolarHBondContact O-N 2.94Å |
| 979 | R | 31.4 | Very low | 40.1 | Very low | 197 Ų | 197 | 114.6 Ų | 114.6 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.8 | -34.2 | 174.6 | -92.6 | -175.7 | 170.1 | 178.8 | -2.5 | 113.2 | K975 S981 | K975-R979 PolarHBondContact O-N 3.47Å; R979-S981 VanDerWaalsContact C-N 3.33Å |
| 980 | A | 28.6 | Very low | 38.1 | Very low | 64 Ų | 64 | 113.8 Ų | 113.8 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.1 | -31.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R976 K977 E978 L982 I983 | R976-A980 WeakPolarHBondContact O-CB 3.38Å; R976-A980 PolarHBondContact O-N 3.13Å; K977-A980 WeakPolarHBondContact O-CB 3.38Å; K977-A980 PolarHBondContact O-N 3.27Å; E978-A980 VanDerWaalsContact C-N 3.3Å; E978-A980 PolarHBondContact O-N 3.48Å; A980-L982 VanDerWaalsContact C-N 3.33Å; A980-L982 PolarHBondContact O-N 3.18Å; A980-I983 PolarHBondContact O-N 3Å |
| 981 | S | 29.5 | Very low | 35.9 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.2 | -24.6 | 178.4 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | K977 E978 R979 I983 | K977-S981 PolarHBondContact O-N 2.76Å; E978-S981 PolarHBondContact O-N 3.48Å; E978-S981 PolarHBondContact O-OG 2.76Å; R979-S981 VanDerWaalsContact C-N 3.33Å; S981-I983 VanDerWaalsContact C-N 3.29Å; S981-I983 PolarHBondContact O-N 3.24Å |
| 982 | L | 26.1 | Very low | 34.2 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 78% | 0.78 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -6.6 | 177.2 | -86.1 | 159.5 | 0 | 0 | 0 | 113.8 | E978 A980 | E978-L982 PolarHBondContact O-N 2.94Å; A980-L982 VanDerWaalsContact C-N 3.33Å; A980-L982 PolarHBondContact O-N 3.18Å |
| 983 | I | 25.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 55% | 0.554 | 65% | 0.654 | S | S | * | * | trans | -123.4 | 91.3 | -169.5 | -61.1 | 177.3 | 0 | 0 | 0 | 108 | A980 S981 V985 | A980-I983 PolarHBondContact O-N 3Å; S981-I983 VanDerWaalsContact C-N 3.29Å; S981-I983 PolarHBondContact O-N 3.24Å; I983-V985 VanDerWaalsContact C-N 3.29Å; I983-V985 HydrophobicContact CG2-CB 3.94Å; I983-V985 HydrophobicContact CG2-CG2 3.33Å; I983-V985 PolarHBondContact O-N 2.75Å | ||
| 984 | S | 24.1 | Very low | 31.1 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 67% | 0.673 | S | S | * | * | trans | -69.9 | 87.3 | 163.7 | 60.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 985 | V | 26.8 | Very low | 29.9 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 58% | 0.576 | 68% | 0.684 | S | S | * | * | trans | -128.2 | 142.2 | 172.3 | -178.4 | 0 | 0 | 0 | 0 | 110 | I983 | I983-V985 VanDerWaalsContact C-N 3.29Å; I983-V985 HydrophobicContact CG2-CB 3.94Å; I983-V985 HydrophobicContact CG2-CG2 3.33Å; I983-V985 PolarHBondContact O-N 2.75Å | ||
| 986 | T | 24 | Very low | 28.5 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | -62.6 | 159.5 | -164.8 | 41.3 | 0 | 0 | 0 | 0 | 115.2 | S988 | T986-S988 PolarHBondContact O-N 3.4Š| ||
| 987 | Y | 27.7 | Very low | 27.7 | Very low | 208 Ų | 208 | 138 Ų | 138 | 82% | 0.816 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 13.2 | -163 | -142.7 | -98 | 0 | 0 | 0 | 117.9 | L990 | Y987-L990 HydrophobicContact CD1-CD1 3.84Å; Y987-L990 HydrophobicContact CD2-CD1 3.32Å; Y987-L990 HydrophobicContact CE1-CD1 3.79Å; Y987-L990 HydrophobicContact CE2-CD1 3.26Å; Y987-L990 HydrophobicContact CG-CD1 3.61Å |
| 988 | S | 27.6 | Very low | 26.8 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -12.4 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | T986 | T986-S988 PolarHBondContact O-N 3.4Š|
| 989 | D | 28.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -92.9 | 11.5 | -179.2 | -72.4 | -31 | 0 | 0 | 0 | 114.5 | T991 | D989-T991 PolarHBondContact O-N 2.93Š|
| 990 | L | 27.7 | Very low | 26.1 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 10.5 | -168 | -88.5 | 164.2 | 0 | 0 | 0 | 116.9 | Y987 | Y987-L990 HydrophobicContact CD1-CD1 3.84Å; Y987-L990 HydrophobicContact CD2-CD1 3.32Å; Y987-L990 HydrophobicContact CE1-CD1 3.79Å; Y987-L990 HydrophobicContact CE2-CD1 3.26Å; Y987-L990 HydrophobicContact CG-CD1 3.61Å |
| 991 | T | 24.7 | Very low | 26 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 5.2 | 178.6 | -4.9 | 0 | 0 | 0 | 0 | 115.6 | D989 | D989-T991 PolarHBondContact O-N 2.93Š|
| 992 | Y | 28.5 | Very low | 26.1 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 73% | 0.725 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -104.4 | -3.2 | -176.7 | -158.1 | -100.8 | 0 | 0 | 0 | 116 | ||
| 993 | Y | 23.5 | Very low | 26.4 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 62% | 0.616 | 67% | 0.673 | S | S | * | * | trans | -129.5 | 78.4 | -174.4 | -69.1 | -80.8 | 0 | 0 | 0 | 113 | R976 | R976-Y993 WeakPolarHBondContact CD-OH 3.35Å; R976-Y993 PolarHBondContact NE-OH 3.37Å; R976-Y993 VanDerWaalsContact NE-OH 3.08Å | ||
| 994 | K | 21.4 | Very low | 27.1 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | trans | -114.5 | 134.3 | 155 | -82.4 | -174.4 | 174.4 | 179 | 0 | 109.2 | ||||
| 995 | R | 28.1 | Very low | 27.7 | Very low | 195 Ų | 195 | 131.9 Ų | 131.9 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | trans | 124.8 | 130.3 | 146.9 | -64.2 | -170.5 | 179.7 | -176.2 | 2.1 | 116.7 | D1042 | R995-D1042 IonicContact NH1-OD1 3.31Š| ||
| 996 | I | 21.9 | Very low | 28.2 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | trans | -96.7 | 173.4 | -169.1 | -63.8 | 163.8 | 0 | 0 | 0 | 108.1 | ||||
| 997 | T | 26.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | trans | 99 | 159.2 | 148.3 | -0.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 998 | T | 21.9 | Very low | 30 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 64% | 0.638 | 67% | 0.67 | S | S | * | * | trans | -140.3 | 141.5 | -142.5 | -39.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 999 | L | 31.1 | Very low | 31 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | trans | 97.1 | 101.6 | 138.3 | -107.7 | 156.8 | 0 | 0 | 0 | 121.7 | E1041 | L999-E1041 WeakPolarHBondContact CA-OE1 3.4Å; L999-E1041 PolarHBondContact N-OE1 3.08Å; L999-E1041 PolarHBondContact N-OE2 3.44Å | ||
| 1000 | G | 24.1 | Very low | 31.9 | Very low | 51 Ų | 51 | 131.9 Ų | 131.9 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | trans | -153.1 | 133.3 | 148 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1041 | G1000-E1041 PolarHBondContact N-OE1 3.05Å; G1000-E1041 PolarHBondContact N-OE2 2.85Å | ||
| 1001 | I | 27.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 60% | 0.6 | 66% | 0.656 | S | S | * | * | trans | -100.9 | 125.2 | 177.2 | -63.3 | 171.1 | 0 | 0 | 0 | 108.5 | ||||
| 1002 | Y | 30.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 62% | 0.616 | 63% | 0.626 | S | S | * | * | trans | -111.6 | 117 | 173.1 | -169.6 | -95.7 | 0 | 0 | 0 | 111.4 | H1004 | Y1002-H1004 HydrophobicContact CE1-CB 4.34Š| ||
| 1003 | A | 33.4 | Very low | 35.9 | Very low | 61 Ų | 61 | 120.2 Ų | 120.2 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | trans | -111.2 | 125.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K1005 | A1003-K1005 PolarHBondContact O-N 2.88Š| ||
| 1004 | H | 40.8 | Very low | 37 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | trans | -78 | 111 | -177.3 | 177.8 | -91.4 | 0 | 0 | 0 | 111.1 | Y1002 G1007 | Y1002-H1004 HydrophobicContact CE1-CB 4.34Å; H1004-G1007 PolarHBondContact CE1-O 3.29Å; H1004-G1007 WeakPolarHBondContact NE2-CA 3.06Å; H1004-G1007 PolarHBondContact NE2-N 3.05Å; H1004-G1007 PolarHBondContact NE2-O 3.49Å; H1004-G1007 VanDerWaalsContact NE2-O 3.16Å | ||
| 1005 | K | 36.3 | Very low | 38.7 | Very low | 164 Ų | 164 | 110 Ų | 110 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -107.4 | -27.4 | -179.6 | -76.5 | -174.5 | 176.2 | 179.6 | 0 | 115.9 | A1003 | A1003-K1005 PolarHBondContact O-N 2.88Š|
| 1006 | T | 37.9 | Very low | 39.9 | Very low | 142 Ų | 142 | 109.5 Ų | 109.5 | 87% | 0.871 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -147.3 | 7.6 | -168.1 | 53.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1007 | G | 43.1 | Very low | 41.6 | Very low | 40 Ų | 40 | 107 Ų | 107 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -84.1 | 152.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H1004 | H1004-G1007 PolarHBondContact CE1-O 3.29Å; H1004-G1007 WeakPolarHBondContact NE2-CA 3.06Å; H1004-G1007 PolarHBondContact NE2-N 3.05Å; H1004-G1007 PolarHBondContact NE2-O 3.49Å; H1004-G1007 VanDerWaalsContact NE2-O 3.16Å |
| 1008 | K | 45.6 | Very low | 43.3 | Very low | 195 Ų | 195 | 103 Ų | 103 | 85% | 0.848 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 140.9 | 163.4 | -79.3 | -175.6 | 177.7 | 179.6 | 0 | 108.8 | I1010 | K1008-I1010 PolarHBondContact O-N 2.88Š|
| 1009 | K | 49.4 | Very low | 45.5 | Very low | 171 Ų | 171 | 98.1 Ų | 98.1 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 125.9 | 169 | -178.7 | 179.3 | 176.8 | 178.9 | 0 | 109.1 | ||
| 1010 | I | 47.8 | Very low | 47.6 | Very low | 78 Ų | 78 | 96.1 Ų | 96.1 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | trans | -96.5 | -68.4 | 178.2 | -58.3 | -179.8 | 0 | 0 | 0 | 108.5 | I937 N938 M941 K1008 | I937-I1010 HydrophobicContact CG2-CG2 4.2Å; N938-I1010 WeakPolarHBondContact OD1-CG2 3.42Å; M941-I1010 HydrophobicContact CE-CB 3.85Å; M941-I1010 HydrophobicContact CE-CG2 3.82Å; K1008-I1010 PolarHBondContact O-N 2.88Å | ||
| 1011 | E | 55.7 | Low | 49.8 | Very low | 91 Ų | 91 | 93.9 Ų | 93.9 | 43% | 0.425 | 47% | 0.474 | S | S | . | . | trans | -154 | -177.4 | 170.9 | -88.3 | -53.4 | 161.7 | 0 | 0 | 111.5 | N938 M941 | N938-E1011 HydrophobicContact CB-CG 4.45Å; M941-E1011 HydrophobicContact CB-CB 3.77Å | ||
| 1012 | T | 50.7 | Low | 51.6 | Low | 41 Ų | 41 | 92.8 Ų | 92.8 | 25% | 0.252 | 47% | 0.465 | S | S | . | . | trans | -105.1 | 130.4 | 180 | -44.2 | 0 | 0 | 0 | 0 | 111.8 | M941 A943 L945 | M941-T1012 CarbonylContact O-C 3.49Å; A943-T1012 WeakPolarHBondContact CB-O 3.5Å; A943-T1012 PolarHBondContact N-O 3.36Å; L945-T1012 HydrophobicContact CD1-CG2 3.9Å; L945-T1012 HydrophobicContact CD2-CG2 4.2Å; L945-T1012 HydrophobicContact CG-CG2 4.35Å | ||
| 1013 | H | 56.5 | Low | 53.3 | Low | 59 Ų | 59 | 90.5 Ų | 90.5 | 27% | 0.273 | 46% | 0.46 | S | S | . | . | trans | -118.7 | 146.2 | -178.1 | -174.4 | 51.3 | 0 | 0 | 0 | 112.1 | D1033 W1035 | H1013-D1033 IonicContact CD2-OD1 3.39Å; H1013-D1033 PolarHBondContact CD2-OD1 3.45Å; H1013-D1033 IonicContact CD2-OD2 3.58Å; H1013-D1033 PolarHBondContact CD2-OD2 3.4Å; H1013-D1033 IonicContact CE1-OD1 3.66Å; H1013-D1033 IonicContact NE2-OD1 2.74Å; H1013-D1033 PolarHBondContact NE2-OD1 3.35Å; H1013-D1033 IonicContact NE2-OD2 3.63Å; H1013-D1033 PolarHBondContact NE2-OD2 3.47Å; H1013-W1035 AromaticContact CD2-CZ2 3.94Å; H1013-W1035 AromaticContact CE1-NE1 3.62Å; H1013-W1035 AromaticContact NE2-CE2 3.76Å; H1013-W1035 AromaticContact NE2-NE1 3.36Å; H1013-W1035 PolarHBondContact NE2-NE1 2.88Å | ||
| 1014 | A | 48.6 | Very low | 54.9 | Low | 72 Ų | 72 | 90.7 Ų | 90.7 | 60% | 0.595 | 47% | 0.467 | S | S | * | . | trans | -95.9 | 130.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1015 | V | 56.9 | Low | 56.3 | Low | 68 Ų | 68 | 91.7 Ų | 91.7 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | trans | -134.8 | 158.5 | -175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | V1031 D1033 | V1015-V1031 HydrophobicContact CB-CG1 3.31Å; V1015-V1031 HydrophobicContact CG1-CG1 4.06Å; V1015-V1031 HydrophobicContact CG2-CG1 3.35Å; V1015-V1031 HydrophobicContact CG2-CG2 4.4Å; V1015-D1033 WeakPolarHBondContact CG1-OD2 3.25Å | ||
| 1016 | R | 52.5 | Low | 57.5 | Low | 183 Ų | 183 | 89.3 Ų | 89.3 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.3 | 179.3 | -171.2 | -178.3 | -174.5 | -171.9 | 5.5 | 111.4 | V1018 V1031 A1032 | R1016-V1018 HydrophobicContact CG-CG1 4.19Å; R1016-V1031 CarbonylContact O-C 2.92Å; R1016-V1031 VanDerWaalsContact O-CA 3.3Å; R1016-V1031 WeakPolarHBondContact O-CA 3.49Å; R1016-A1032 HydrophobicContact CB-CB 4.45Å; R1016-A1032 WeakPolarHBondContact CB-O 3.35Å; R1016-A1032 PolarHBondContact N-O 2.76Å; R1016-A1032 PolarHBondContact O-N 3.43Å |
| 1017 | I | 57.9 | Low | 58.8 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 45% | 0.446 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.8 | 173 | -56.4 | 174.7 | 0 | 0 | 0 | 109.6 | F951 C1029 L1030 V1031 | F951-I1017 HydrophobicContact CZ-CD1 4.45Å; I1017-C1029 HydrophobicContact CG2-CB 4.19Å; I1017-L1030 CarbonylContact C-O 3.43Å; I1017-L1030 WeakPolarHBondContact CA-O 3.18Å; I1017-V1031 HydrophobicContact CG1-CG2 4.48Å |
| 1018 | V | 62.2 | Low | 59.7 | Low | 31 Ų | 31 | 87 Ų | 87 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -1.6 | -176.2 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | A972 R1016 L1030 A1032 | A972-V1018 VanDerWaalsContact CB-O 3.32Å; A972-V1018 WeakPolarHBondContact CB-O 3.4Å; A972-V1018 PolarHBondContact N-O 3.11Å; R1016-V1018 HydrophobicContact CG-CG1 4.19Å; V1018-L1030 HydrophobicContact CG2-CB 3.83Å; V1018-L1030 PolarHBondContact N-O 3.33Å; V1018-A1032 HydrophobicContact CG1-CB 4.07Å |
| 1019 | G | 66.4 | Low | 60.4 | Low | 2 Ų | 2 | 79.6 Ų | 79.6 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -172.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F970 L1030 | F970-G1019 CarbonylContact O-C 3.37Å; F970-G1019 WeakPolarHBondContact O-CA 3.35Å; G1019-L1030 PolarHBondContact O-N 2.91Å |
| 1020 | W | 76.1 | Confident | 60.9 | Low | 84 Ų | 84 | 72.2 Ų | 72.2 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 166.2 | 179.8 | 62.7 | 86.2 | 0 | 0 | 0 | 111.4 | L966 P967 F970 Y1028 | L966-W1020 HydrophobicContact CB-CZ2 4.16Å; L966-W1020 HydrophobicContact CD1-CZ2 4.32Å; L966-W1020 HydrophobicContact CD2-CH2 4.4Å; L966-W1020 HydrophobicContact CD2-CZ2 4.18Å; L966-W1020 HydrophobicContact CG-CZ2 4.46Å; P967-W1020 PolarHBondContact O-NE1 2.76Å; F970-W1020 HydrophobicContact CB-CD2 3.57Å; F970-W1020 HydrophobicContact CB-CE3 3.91Å; F970-W1020 HydrophobicContact CB-CG 4.23Å; F970-W1020 HydrophobicContact CB-CH2 3.61Å; F970-W1020 HydrophobicContact CB-CZ2 3.23Å; F970-W1020 HydrophobicContact CB-CZ3 3.94Å; F970-W1020 HydrophobicContact CD1-CD2 4.17Å; F970-W1020 AromaticContact CD1-CE3 3.59Å; F970-W1020 HydrophobicContact CD1-CE3 3.59Å; F970-W1020 AromaticContact CD1-CH2 3.28Å; F970-W1020 HydrophobicContact CD1-CH2 3.28Å; F970-W1020 AromaticContact CD1-CZ2 3.9Å; F970-W1020 HydrophobicContact CD1-CZ2 3.9Å; F970-W1020 AromaticContact CD1-CZ3 3.11Å; F970-W1020 HydrophobicContact CD1-CZ3 3.11Å; F970-W1020 HydrophobicContact CD2-CH2 4.1Å; F970-W1020 HydrophobicContact CD2-CZ2 4.26Å; F970-W1020 HydrophobicContact CE1-CE3 4.48Å; F970-W1020 AromaticContact CE1-CH2 3.88Å; F970-W1020 HydrophobicContact CE1-CH2 3.88Å; F970-W1020 AromaticContact CE1-CZ3 3.7Å; F970-W1020 HydrophobicContact CE1-CZ3 3.7Å; F970-W1020 HydrophobicContact CG-CD2 4.27Å; F970-W1020 AromaticContact CG-CE2 3.98Å; F970-W1020 HydrophobicContact CG-CE3 4.12Å; F970-W1020 AromaticContact CG-CH2 3.39Å; F970-W1020 HydrophobicContact CG-CH2 3.39Å; F970-W1020 AromaticContact CG-CZ2 3.55Å; F970-W1020 HydrophobicContact CG-CZ2 3.55Å; F970-W1020 AromaticContact CG-CZ3 3.71Å; F970-W1020 HydrophobicContact CG-CZ3 3.71Å; F970-W1020 PolarHBondContact N-O 3.48Å; F970-W1020 PolarHBondContact O-N 3.3Å; F970-W1020 VanDerWaalsContact O-O 3.07Å; W1020-Y1028 CarbonylContact C-O 3.5Å; W1020-Y1028 VanDerWaalsContact CA-O 3.28Å; W1020-Y1028 WeakPolarHBondContact CA-O 3.18Å |
| 1021 | G | 71.5 | Confident | 61.5 | Low | 4 Ų | 4 | 68.9 Ų | 68.9 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169 | -175.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E968 K1027 Y1028 | E968-G1021 WeakPolarHBondContact O-CA 3.48Å; G1021-K1027 WeakPolarHBondContact O-CA 3.3Å; G1021-Y1028 VanDerWaalsContact N-CE2 3.32Å; G1021-Y1028 PolarHBondContact N-O 3.02Å; G1021-Y1028 WeakPolarHBondContact O-CD1 3.24Å; G1021-Y1028 PolarHBondContact O-N 3.12Å |
| 1022 | K | 63.4 | Low | 61.6 | Low | 95 Ų | 95 | 66.1 Ų | 66.1 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.2 | 177.3 | -169.4 | -177.4 | 177.8 | -168.1 | 0 | 109 | E968 G1024 D1026 K1027 | E968-K1022 PolarHBondContact O-N 2.77Å; K1022-G1024 VanDerWaalsContact CE-O 3.24Å; K1022-G1024 WeakPolarHBondContact CE-O 3.36Å; K1022-D1026 CarbonylContact C-O 3.53Å; K1022-D1026 VanDerWaalsContact CA-O 3.28Å; K1022-D1026 WeakPolarHBondContact CA-O 3.27Å; K1022-K1027 HydrophobicContact CB-CG 4.44Å; K1022-K1027 HydrophobicContact CD-CG 4.49Å; K1022-K1027 HydrophobicContact CG-CG 4.11Å |
| 1023 | Q | 66 | Low | 62 | Low | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111 | 174 | -174.5 | 173.8 | 5.8 | 0 | 0 | 108.3 | N1025 D1026 Y1028 | Q1023-N1025 PolarHBondContact O-N 2.95Å; Q1023-D1026 PolarHBondContact N-O 3.46Å; Q1023-D1026 PolarHBondContact O-N 2.98Å; Q1023-D1026 VanDerWaalsContact O-N 3.09Å; Q1023-Y1028 HydrophobicContact CB-CD1 4.38Å; Q1023-Y1028 HydrophobicContact CB-CE1 4.15Å |
| 1024 | G | 67.9 | Low | 62 | Low | 65 Ų | 65 | 67.1 Ų | 67.1 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -126.2 | -169 | 0 | 0 | 0 | 0 | 0 | 111 | K1022 | K1022-G1024 VanDerWaalsContact CE-O 3.24Å; K1022-G1024 WeakPolarHBondContact CE-O 3.36Å |
| 1025 | N | 69.8 | Low | 62.2 | Low | 144 Ų | 144 | 67 Ų | 67 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -14.1 | 171.8 | -80.9 | -16.2 | 0 | 0 | 0 | 113.1 | Q1023 | Q1023-N1025 PolarHBondContact O-N 2.95Š|
| 1026 | D | 61.3 | Low | 61.7 | Low | 115 Ų | 115 | 69.4 Ų | 69.4 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.4 | -169.2 | -57.4 | -42.1 | 0 | 0 | 0 | 110.5 | K1022 Q1023 | K1022-D1026 CarbonylContact C-O 3.53Å; K1022-D1026 VanDerWaalsContact CA-O 3.28Å; K1022-D1026 WeakPolarHBondContact CA-O 3.27Å; Q1023-D1026 PolarHBondContact N-O 3.46Å; Q1023-D1026 PolarHBondContact O-N 2.98Å; Q1023-D1026 VanDerWaalsContact O-N 3.09Å |
| 1027 | K | 64.7 | Low | 61.4 | Low | 103 Ų | 103 | 62.5 Ų | 62.5 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 142.6 | 174.9 | -67.6 | 171 | 178.3 | -177.3 | 0 | 109.4 | G1021 K1022 Y1049 | G1021-K1027 WeakPolarHBondContact O-CA 3.3Å; K1022-K1027 HydrophobicContact CB-CG 4.44Å; K1022-K1027 HydrophobicContact CD-CG 4.49Å; K1022-K1027 HydrophobicContact CG-CG 4.11Å; K1027-Y1049 HydrophobicContact CB-CD1 3.91Å; K1027-Y1049 HydrophobicContact CB-CE1 3.32Å; K1027-Y1049 HydrophobicContact CD-CE1 3.53Å; K1027-Y1049 WeakPolarHBondContact CD-OH 3.36Å; K1027-Y1049 HydrophobicContact CG-CE1 4.11Å; K1027-Y1049 PolarHBondContact NZ-OH 3.25Å |
| 1028 | Y | 63.8 | Low | 60.7 | Low | 29 Ų | 29 | 65.2 Ų | 65.2 | 11% | 0.114 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.5 | -177.1 | 64.7 | -100.9 | 0 | 0 | 0 | 111.7 | W1020 G1021 Q1023 L1030 Q1046 V1047 | W1020-Y1028 CarbonylContact C-O 3.5Å; W1020-Y1028 VanDerWaalsContact CA-O 3.28Å; W1020-Y1028 WeakPolarHBondContact CA-O 3.18Å; G1021-Y1028 VanDerWaalsContact N-CE2 3.32Å; G1021-Y1028 PolarHBondContact N-O 3.02Å; G1021-Y1028 WeakPolarHBondContact O-CD1 3.24Å; G1021-Y1028 PolarHBondContact O-N 3.12Å; Q1023-Y1028 HydrophobicContact CB-CD1 4.38Å; Q1023-Y1028 HydrophobicContact CB-CE1 4.15Å; Y1028-L1030 HydrophobicContact CE2-CD2 4.48Å; Y1028-L1030 HydrophobicContact CE2-CG 4.18Å; Y1028-Q1046 HydrophobicContact CD2-CB 4.43Å; Y1028-Q1046 HydrophobicContact CD2-CG 3.84Å; Y1028-Q1046 HydrophobicContact CE2-CG 4.33Å; Y1028-Q1046 HydrophobicContact CG-CG 4.5Å; Y1028-Q1046 VanDerWaalsContact CG-OE1 3.29Å; Y1028-V1047 WeakPolarHBondContact CA-O 3.32Å |
| 1029 | C | 59.4 | Low | 59.7 | Low | 40 Ų | 40 | 66.2 Ų | 66.2 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138 | 166.4 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | I1017 V1031 Q1046 V1047 | I1017-C1029 HydrophobicContact CG2-CB 4.19Å; C1029-V1031 HydrophobicContact CB-CG2 4.44Å; C1029-Q1046 VanDerWaalsContact O-CA 3.25Å; C1029-Q1046 WeakPolarHBondContact O-CA 3.17Å; C1029-V1047 PolarHBondContact N-O 3.21Å; C1029-V1047 VanDerWaalsContact N-O 3.17Å; C1029-V1047 PolarHBondContact O-N 3.37Å |
| 1030 | L | 60.6 | Low | 58.6 | Low | 17 Ų | 17 | 73.6 Ų | 73.6 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 123.8 | 168.6 | -72.4 | 162.6 | 0 | 0 | 0 | 108.9 | D971 I1017 V1018 G1019 Y1028 Q1046 | D971-L1030 HydrophobicContact CB-CD1 4.33Å; I1017-L1030 CarbonylContact C-O 3.43Å; I1017-L1030 WeakPolarHBondContact CA-O 3.18Å; V1018-L1030 HydrophobicContact CG2-CB 3.83Å; V1018-L1030 PolarHBondContact N-O 3.33Å; G1019-L1030 PolarHBondContact O-N 2.91Å; Y1028-L1030 HydrophobicContact CE2-CD2 4.48Å; Y1028-L1030 HydrophobicContact CE2-CG 4.18Å; L1030-Q1046 HydrophobicContact CD2-CG 3.78Å; L1030-Q1046 HydrophobicContact CG-CG 4.41Å |
| 1031 | V | 60.3 | Low | 57.3 | Low | 8 Ų | 8 | 73.5 Ų | 73.5 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 136.7 | -175.1 | -177.6 | 0 | 0 | 0 | 0 | 111 | V1015 R1016 I1017 C1029 L1045 V1047 | V1015-V1031 HydrophobicContact CB-CG1 3.31Å; V1015-V1031 HydrophobicContact CG1-CG1 4.06Å; V1015-V1031 HydrophobicContact CG2-CG1 3.35Å; V1015-V1031 HydrophobicContact CG2-CG2 4.4Å; R1016-V1031 CarbonylContact O-C 2.92Å; R1016-V1031 VanDerWaalsContact O-CA 3.3Å; R1016-V1031 WeakPolarHBondContact O-CA 3.49Å; I1017-V1031 HydrophobicContact CG1-CG2 4.48Å; C1029-V1031 HydrophobicContact CB-CG2 4.44Å; V1031-L1045 WeakPolarHBondContact CA-O 3.43Å; V1031-L1045 HydrophobicContact CB-CB 4.39Å; V1031-L1045 VanDerWaalsContact CB-O 3.24Å; V1031-L1045 WeakPolarHBondContact CB-O 3.2Å; V1031-L1045 PolarHBondContact N-O 2.96Å; V1031-L1045 PolarHBondContact O-N 3.21Å; V1031-L1045 VanDerWaalsContact O-N 3.1Å; V1031-V1047 HydrophobicContact CG2-CG2 4.23Å |
| 1032 | A | 57.7 | Low | 56.1 | Low | 33 Ų | 33 | 76 Ų | 76 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | R1016 V1018 | R1016-A1032 HydrophobicContact CB-CB 4.45Å; R1016-A1032 WeakPolarHBondContact CB-O 3.35Å; R1016-A1032 PolarHBondContact N-O 2.76Å; R1016-A1032 PolarHBondContact O-N 3.43Å; V1018-A1032 HydrophobicContact CG1-CB 4.07Å |
| 1033 | D | 59 | Low | 55.2 | Low | 26 Ų | 26 | 71.6 Ų | 71.6 | 14% | 0.139 | 39% | 0.392 | C | S | . | . | trans | -98.6 | 165.6 | 179.5 | -150.5 | -28.9 | 0 | 0 | 0 | 110.9 | H1013 V1015 W1035 W1039 G1043 | H1013-D1033 IonicContact CD2-OD1 3.39Å; H1013-D1033 PolarHBondContact CD2-OD1 3.45Å; H1013-D1033 IonicContact CD2-OD2 3.58Å; H1013-D1033 PolarHBondContact CD2-OD2 3.4Å; H1013-D1033 IonicContact CE1-OD1 3.66Å; H1013-D1033 IonicContact NE2-OD1 2.74Å; H1013-D1033 PolarHBondContact NE2-OD1 3.35Å; H1013-D1033 IonicContact NE2-OD2 3.63Å; H1013-D1033 PolarHBondContact NE2-OD2 3.47Å; V1015-D1033 WeakPolarHBondContact CG1-OD2 3.25Å; D1033-W1035 VanDerWaalsContact C-N 3.32Å; D1033-W1039 HydrophobicContact CB-CZ3 4.31Å; D1033-G1043 PolarHBondContact N-O 3.27Å; D1033-G1043 VanDerWaalsContact N-O 3.11Å | ||
| 1034 | S | 56.5 | Low | 54.3 | Low | 95 Ų | 95 | 70 Ų | 70 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -84 | -1.4 | 174 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1035 | W | 51.8 | Low | 53.4 | Low | 68 Ų | 68 | 69.6 Ų | 69.6 | 26% | 0.258 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -76 | 144.9 | 174.9 | -61.1 | -9.2 | 0 | 0 | 0 | 110 | F929 M941 H1013 D1033 W1039 | F929-W1035 HydrophobicContact CZ-CH2 4.33Å; F929-W1035 HydrophobicContact CZ-CZ3 4.43Å; M941-W1035 HydrophobicContact SD-CH2 4.09Å; M941-W1035 HydrophobicContact SD-CZ2 3.97Å; H1013-W1035 AromaticContact CD2-CZ2 3.94Å; H1013-W1035 AromaticContact CE1-NE1 3.62Å; H1013-W1035 AromaticContact NE2-CE2 3.76Å; H1013-W1035 AromaticContact NE2-NE1 3.36Å; H1013-W1035 PolarHBondContact NE2-NE1 2.88Å; D1033-W1035 VanDerWaalsContact C-N 3.32Å; W1035-W1039 HydrophobicContact CB-CB 4.07Å; W1035-W1039 HydrophobicContact CB-CD2 4.36Å; W1035-W1039 HydrophobicContact CB-CG 4.12Å; W1035-W1039 HydrophobicContact CD2-CD2 4.46Å; W1035-W1039 AromaticContact CE3-CD1 3.64Å; W1035-W1039 AromaticContact CE3-CD2 3.48Å; W1035-W1039 HydrophobicContact CE3-CD2 3.48Å; W1035-W1039 VanDerWaalsContact CE3-CD2 3.48Å; W1035-W1039 AromaticContact CE3-CE2 3.15Å; W1035-W1039 HydrophobicContact CE3-CE3 4.04Å; W1035-W1039 AromaticContact CE3-CG 3.83Å; W1035-W1039 HydrophobicContact CE3-CG 3.83Å; W1035-W1039 HydrophobicContact CE3-CH2 4.02Å; W1035-W1039 AromaticContact CE3-CZ2 3.48Å; W1035-W1039 HydrophobicContact CE3-CZ2 3.48Å; W1035-W1039 VanDerWaalsContact CE3-CZ2 3.48Å; W1035-W1039 HydrophobicContact CE3-CZ3 4.28Å; W1035-W1039 AromaticContact CE3-NE1 3.26Å; W1035-W1039 VanDerWaalsContact CE3-NE1 3.26Å; W1035-W1039 HydrophobicContact CH2-CZ2 4.45Å; W1035-W1039 HydrophobicContact CZ3-CD2 4.15Å; W1035-W1039 AromaticContact CZ3-CE2 3.33Å; W1035-W1039 AromaticContact CZ3-CH2 3.98Å; W1035-W1039 HydrophobicContact CZ3-CH2 3.98Å; W1035-W1039 AromaticContact CZ3-CZ2 3.26Å; W1035-W1039 HydrophobicContact CZ3-CZ2 3.26Å; W1035-W1039 AromaticContact CZ3-NE1 3.41Å |
| 1036 | D | 46.9 | Very low | 52.5 | Low | 119 Ų | 119 | 65.4 Ų | 65.4 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | trans | -52.6 | 157.2 | -176 | -160.7 | -4.5 | 0 | 0 | 0 | 111.5 | D1038 W1039 | D1036-D1038 PolarHBondContact O-N 3.23Å; D1036-W1039 WeakPolarHBondContact O-CB 2.97Å; D1036-W1039 PolarHBondContact O-N 3.14Å | ||
| 1037 | A | 46.6 | Very low | 52 | Low | 39 Ų | 39 | 63.2 Ų | 63.2 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1039 D1042 | A1037-W1039 PolarHBondContact O-N 3.26Å; A1037-D1042 HydrophobicContact CB-CB 4.18Å; A1037-D1042 WeakPolarHBondContact O-CA 3.13Å; A1037-D1042 PolarHBondContact O-N 2.89Å |
| 1038 | D | 42.2 | Very low | 50.9 | Low | 143 Ų | 143 | 61.5 Ų | 61.5 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.1 | 172.4 | -68.5 | -14.6 | 0 | 0 | 0 | 112.7 | D1036 | D1036-D1038 PolarHBondContact O-N 3.23Š|
| 1039 | W | 40.9 | Very low | 50 | Low | 53 Ų | 53 | 66 Ų | 66 | 20% | 0.201 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 130.7 | 164.6 | -160.6 | 67.1 | 0 | 0 | 0 | 109 | D1033 W1035 D1036 A1037 E1041 D1042 G1043 L1045 | D1033-W1039 HydrophobicContact CB-CZ3 4.31Å; W1035-W1039 HydrophobicContact CB-CB 4.07Å; W1035-W1039 HydrophobicContact CB-CD2 4.36Å; W1035-W1039 HydrophobicContact CB-CG 4.12Å; W1035-W1039 HydrophobicContact CD2-CD2 4.46Å; W1035-W1039 AromaticContact CE3-CD1 3.64Å; W1035-W1039 AromaticContact CE3-CD2 3.48Å; W1035-W1039 HydrophobicContact CE3-CD2 3.48Å; W1035-W1039 VanDerWaalsContact CE3-CD2 3.48Å; W1035-W1039 AromaticContact CE3-CE2 3.15Å; W1035-W1039 HydrophobicContact CE3-CE3 4.04Å; W1035-W1039 AromaticContact CE3-CG 3.83Å; W1035-W1039 HydrophobicContact CE3-CG 3.83Å; W1035-W1039 HydrophobicContact CE3-CH2 4.02Å; W1035-W1039 AromaticContact CE3-CZ2 3.48Å; W1035-W1039 HydrophobicContact CE3-CZ2 3.48Å; W1035-W1039 VanDerWaalsContact CE3-CZ2 3.48Å; W1035-W1039 HydrophobicContact CE3-CZ3 4.28Å; W1035-W1039 AromaticContact CE3-NE1 3.26Å; W1035-W1039 VanDerWaalsContact CE3-NE1 3.26Å; W1035-W1039 HydrophobicContact CH2-CZ2 4.45Å; W1035-W1039 HydrophobicContact CZ3-CD2 4.15Å; W1035-W1039 AromaticContact CZ3-CE2 3.33Å; W1035-W1039 AromaticContact CZ3-CH2 3.98Å; W1035-W1039 HydrophobicContact CZ3-CH2 3.98Å; W1035-W1039 AromaticContact CZ3-CZ2 3.26Å; W1035-W1039 HydrophobicContact CZ3-CZ2 3.26Å; W1035-W1039 AromaticContact CZ3-NE1 3.41Å; D1036-W1039 WeakPolarHBondContact O-CB 2.97Å; D1036-W1039 PolarHBondContact O-N 3.14Å; A1037-W1039 PolarHBondContact O-N 3.26Å; W1039-E1041 PolarHBondContact O-N 3.41Å; W1039-D1042 PolarHBondContact O-N 2.04Å; W1039-G1043 PolarHBondContact O-N 2.68Å; W1039-L1045 HydrophobicContact CH2-CB 4.33Å; W1039-L1045 HydrophobicContact CH2-CD1 4.39Å; W1039-L1045 HydrophobicContact CH2-CD2 4.34Å; W1039-L1045 HydrophobicContact CZ3-CB 4.21Å |
| 1040 | E | 43.8 | Very low | 48.7 | Very low | 157 Ų | 157 | 73 Ų | 73 | 73% | 0.734 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -34.4 | 128 | -167.7 | -66.4 | -172.3 | 168.1 | 0 | 0 | 113.3 | ||
| 1041 | E | 50 | Low | 47.3 | Very low | 81 Ų | 81 | 80.5 Ų | 80.5 | 38% | 0.379 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | 63.3 | 41.3 | -176.5 | -47.3 | -154.3 | 140.5 | 0 | 0 | 117.5 | L999 G1000 W1039 G1043 | L999-E1041 WeakPolarHBondContact CA-OE1 3.4Å; L999-E1041 PolarHBondContact N-OE1 3.08Å; L999-E1041 PolarHBondContact N-OE2 3.44Å; G1000-E1041 PolarHBondContact N-OE1 3.05Å; G1000-E1041 PolarHBondContact N-OE2 2.85Å; W1039-E1041 PolarHBondContact O-N 3.41Å; E1041-G1043 PolarHBondContact O-N 2.67Å |
| 1042 | D | 45.6 | Very low | 46.7 | Very low | 56 Ų | 56 | 84.2 Ų | 84.2 | 30% | 0.299 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | 61 | 39.8 | 179.5 | -65.5 | -40.2 | 0 | 0 | 0 | 112.6 | R995 A1037 W1039 | R995-D1042 IonicContact NH1-OD1 3.31Å; A1037-D1042 HydrophobicContact CB-CB 4.18Å; A1037-D1042 WeakPolarHBondContact O-CA 3.13Å; A1037-D1042 PolarHBondContact O-N 2.89Å; W1039-D1042 PolarHBondContact O-N 2.04Å |
| 1043 | G | 43.7 | Very low | 46.1 | Very low | 3 Ų | 3 | 86.8 Ų | 86.8 | 3% | 0.031 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | 81.3 | 23.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D1033 W1039 E1041 | D1033-G1043 PolarHBondContact N-O 3.27Å; D1033-G1043 VanDerWaalsContact N-O 3.11Å; W1039-G1043 PolarHBondContact O-N 2.68Å; E1041-G1043 PolarHBondContact O-N 2.67Å |
| 1044 | K | 48.3 | Very low | 45.4 | Very low | 77 Ų | 77 | 90.2 Ų | 90.2 | 34% | 0.335 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 136.7 | -168.7 | -63.8 | 166.3 | -162.1 | 140.5 | 0 | 112.9 | ||
| 1045 | L | 48.9 | Very low | 44.7 | Very low | 55 Ų | 55 | 89.9 Ų | 89.9 | 29% | 0.288 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.2 | -175.8 | -175.2 | 70.4 | 0 | 0 | 0 | 111.2 | V1031 W1039 V1047 | V1031-L1045 WeakPolarHBondContact CA-O 3.43Å; V1031-L1045 HydrophobicContact CB-CB 4.39Å; V1031-L1045 VanDerWaalsContact CB-O 3.24Å; V1031-L1045 WeakPolarHBondContact CB-O 3.2Å; V1031-L1045 PolarHBondContact N-O 2.96Å; V1031-L1045 PolarHBondContact O-N 3.21Å; V1031-L1045 VanDerWaalsContact O-N 3.1Å; W1039-L1045 HydrophobicContact CH2-CB 4.33Å; W1039-L1045 HydrophobicContact CH2-CD1 4.39Å; W1039-L1045 HydrophobicContact CH2-CD2 4.34Å; W1039-L1045 HydrophobicContact CZ3-CB 4.21Å; L1045-V1047 HydrophobicContact CD2-CG2 3.61Å; L1045-V1047 HydrophobicContact CG-CG2 3.99Å |
| 1046 | Q | 50.8 | Low | 44.2 | Very low | 57 Ų | 57 | 91.3 Ų | 91.3 | 27% | 0.266 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.4 | 157.6 | -79 | -176 | 8.6 | 0 | 0 | 110 | Y1028 C1029 L1030 | Y1028-Q1046 HydrophobicContact CD2-CB 4.43Å; Y1028-Q1046 HydrophobicContact CD2-CG 3.84Å; Y1028-Q1046 HydrophobicContact CE2-CG 4.33Å; Y1028-Q1046 HydrophobicContact CG-CG 4.5Å; Y1028-Q1046 VanDerWaalsContact CG-OE1 3.29Å; C1029-Q1046 VanDerWaalsContact O-CA 3.25Å; C1029-Q1046 WeakPolarHBondContact O-CA 3.17Å; L1030-Q1046 HydrophobicContact CD2-CG 3.78Å; L1030-Q1046 HydrophobicContact CG-CG 4.41Å |
| 1047 | V | 50.8 | Low | 44.1 | Very low | 68 Ų | 68 | 89.5 Ų | 89.5 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.3 | 179.8 | -175 | 0 | 0 | 0 | 0 | 108.8 | Y1028 C1029 V1031 L1045 | Y1028-V1047 WeakPolarHBondContact CA-O 3.32Å; C1029-V1047 PolarHBondContact N-O 3.21Å; C1029-V1047 VanDerWaalsContact N-O 3.17Å; C1029-V1047 PolarHBondContact O-N 3.37Å; V1031-V1047 HydrophobicContact CG2-CG2 4.23Å; L1045-V1047 HydrophobicContact CD2-CG2 3.61Å; L1045-V1047 HydrophobicContact CG-CG2 3.99Å |
| 1048 | S | 42.4 | Very low | 43.9 | Very low | 67 Ų | 67 | 93.1 Ų | 93.1 | 47% | 0.469 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 134.2 | 167.1 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1049 | Y | 44.6 | Very low | 44 | Very low | 123 Ų | 123 | 89.2 Ų | 89.2 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -98.2 | 125.3 | 168.4 | 83.8 | -94.6 | 0 | 0 | 0 | 109.2 | K1027 | K1027-Y1049 HydrophobicContact CB-CD1 3.91Å; K1027-Y1049 HydrophobicContact CB-CE1 3.32Å; K1027-Y1049 HydrophobicContact CD-CE1 3.53Å; K1027-Y1049 WeakPolarHBondContact CD-OH 3.36Å; K1027-Y1049 HydrophobicContact CG-CE1 4.11Å; K1027-Y1049 PolarHBondContact NZ-OH 3.25Å |
| 1050 | E | 31.7 | Very low | 44.3 | Very low | 189 Ų | 189 | 92.3 Ų | 92.3 | 88% | 0.883 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -83.3 | 139.3 | 152.7 | -80.2 | -173.1 | 164.3 | 0 | 0 | 107 | ||
| 1051 | S | 31 | Very low | 44.3 | Very low | 174 Ų | 174 | 86.4 Ų | 86.4 | 100% | 1.217 | 46% | 0.46 | S | S | * | . | trans | -46.8 | 0 | -169.6 | 58.1 | 0 | 0 | 0 | 0 | 115.6 |
Retrieved 1,051 of 1,051 residues in 662.5 ms
(Link to these results)