| 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 | 57.3 | Low | 59.9 | Low | 130 Ų | 130 | 95.5 Ų | 95.5 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | 0 | 149.1 | 0 | -71.7 | -61.1 | 146.3 | 0 | 0 | 108.6 | G14 A22 | M1-G14 PolarHBondContact N-O 3.31Å; M1-G14 PolarHBondContact O-N 2.92Å; M1-A22 HydrophobicContact CB-CB 3.72Å; M1-A22 HydrophobicContact CG-CB 3.46Å; M1-A22 VanDerWaalsContact CG-CB 3.46Å | |||
| 2 | Q | 64.9 | Low | 60.7 | Low | 117 Ų | 117 | 87.5 Ų | 87.5 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.7 | -178.3 | 65.2 | 175.7 | 70.7 | 0 | 0 | 110.3 | I11 G12 | Q2-I11 HydrophobicContact CB-CG2 3.67Å; Q2-I11 HydrophobicContact CG-CG2 4.38Å; Q2-G12 CarbonylContact C-O 3.52Å; Q2-G12 VanDerWaalsContact CA-O 3.31Å; Q2-G12 WeakPolarHBondContact CA-O 3.45Å |
| 3 | V | 64.4 | Low | 61.5 | Low | 43 Ų | 43 | 89.9 Ų | 89.9 | 26% | 0.261 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 107.9 | V5 I11 G12 A26 | V3-V5 HydrophobicContact CG1-CG2 4.1Å; V3-I11 CarbonylContact O-C 3.46Å; V3-I11 VanDerWaalsContact O-CA 3.28Å; V3-I11 WeakPolarHBondContact O-CA 3.44Å; V3-I11 WeakPolarHBondContact O-CG2 3.32Å; V3-G12 PolarHBondContact N-O 2.8Å; V3-G12 PolarHBondContact O-N 3.49Å; V3-A26 HydrophobicContact CB-CB 4.13Å; V3-A26 HydrophobicContact CG2-CB 3.49Å; V3-A26 VanDerWaalsContact CG2-CB 3.49Å |
| 4 | R | 63.9 | Low | 62.2 | Low | 177 Ų | 177 | 83.5 Ų | 83.5 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.5 | 170.6 | -69 | -174.1 | 177 | 178 | -2.2 | 107.7 | I11 | R4-I11 HydrophobicContact CG-CB 4.49Å; R4-I11 HydrophobicContact CG-CD1 4.19Å; R4-I11 HydrophobicContact CG-CG1 3.97Å; R4-I11 HydrophobicContact CG-CG2 4.03Å; R4-I11 VanDerWaalsContact NE-CD1 3.33Å |
| 5 | V | 59.9 | Low | 62.3 | Low | 51 Ų | 51 | 86.9 Ų | 86.9 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | trans | -119.7 | 121.2 | 174 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | V3 G7 F8 F30 | V3-V5 HydrophobicContact CG1-CG2 4.1Å; V5-G7 PolarHBondContact O-N 3.15Å; V5-F8 HydrophobicContact CB-CD2 4.36Å; V5-F8 HydrophobicContact CG1-CD2 3.96Å; V5-F8 PolarHBondContact O-N 2.8Å; V5-F30 HydrophobicContact CB-CE1 3.8Å; V5-F30 HydrophobicContact CB-CE2 3.98Å; V5-F30 HydrophobicContact CB-CZ 3.37Å; V5-F30 HydrophobicContact CG1-CE1 4.2Å; V5-F30 HydrophobicContact CG1-CZ 4.02Å; V5-F30 HydrophobicContact CG2-CD1 3.85Å; V5-F30 HydrophobicContact CG2-CD2 4.29Å; V5-F30 HydrophobicContact CG2-CE1 3.26Å; V5-F30 HydrophobicContact CG2-CE2 3.81Å; V5-F30 HydrophobicContact CG2-CG 4.34Å; V5-F30 HydrophobicContact CG2-CZ 3.29Å | ||
| 6 | D | 47.3 | Very low | 62.7 | Low | 166 Ų | 166 | 85.2 Ų | 85.2 | 89% | 0.888 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 123.6 | 175.2 | -74.7 | -82 | 0 | 0 | 0 | 110.1 | ||
| 7 | G | 55.3 | Low | 63 | Low | 82 Ų | 82 | 88.6 Ų | 88.6 | 85% | 0.845 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.6 | -18.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V5 | V5-G7 PolarHBondContact O-N 3.15Š|
| 8 | F | 53.8 | Low | 63.4 | Low | 58 Ų | 58 | 88.9 Ų | 88.9 | 25% | 0.254 | 48% | 0.481 | S | S | . | . | trans | -117.6 | 127.7 | 175.9 | -66.4 | -84 | 0 | 0 | 0 | 111.2 | V5 Y10 F30 Y33 L34 E39 | V5-F8 HydrophobicContact CB-CD2 4.36Å; V5-F8 HydrophobicContact CG1-CD2 3.96Å; V5-F8 PolarHBondContact O-N 2.8Å; F8-Y10 PolarHBondContact O-N 3.22Å; F8-F30 HydrophobicContact CB-CE2 4.14Å; F8-F30 HydrophobicContact CB-CZ 3.95Å; F8-F30 AromaticContact CD2-CZ 3.93Å; F8-F30 HydrophobicContact CD2-CZ 3.93Å; F8-F30 AromaticContact CG-CZ 3.99Å; F8-F30 HydrophobicContact CG-CZ 3.99Å; F8-Y33 HydrophobicContact CD1-CE1 4.06Å; F8-L34 HydrophobicContact CD1-CD2 3.71Å; F8-L34 HydrophobicContact CD2-CD2 4.25Å; F8-L34 HydrophobicContact CE1-CD2 3.33Å; F8-L34 HydrophobicContact CE2-CD2 3.92Å; F8-L34 HydrophobicContact CG-CD2 4.14Å; F8-L34 HydrophobicContact CZ-CD2 3.43Å; F8-L34 VanDerWaalsContact CZ-CD2 3.43Å; F8-E39 HydrophobicContact CE1-CB 4.44Å; F8-E39 HydrophobicContact CE1-CG 3.97Å; F8-E39 VanDerWaalsContact CE1-OE2 3.23Å; F8-E39 WeakPolarHBondContact CE1-OE2 3.43Å; F8-E39 HydrophobicContact CZ-CG 4.41Å; F8-E39 WeakPolarHBondContact CZ-OE2 3.35Å | ||
| 9 | N | 61.2 | Low | 63.9 | Low | 133 Ų | 133 | 93.2 Ų | 93.2 | 71% | 0.711 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -76.9 | 22.5 | 176.2 | -121.3 | -67.4 | 0 | 0 | 0 | 113 | H80 | N9-H80 PolarHBondContact O-CE1 2.84Å; N9-H80 PolarHBondContact O-NE2 3Å |
| 10 | Y | 60 | Low | 64.6 | Low | 44 Ų | 44 | 97.5 Ų | 97.5 | 17% | 0.173 | 51% | 0.508 | C | S | . | . | trans | -116 | 138.3 | -179.1 | -175.9 | -105.7 | 0 | 0 | 0 | 111 | F8 D29 F30 Y33 | F8-Y10 PolarHBondContact O-N 3.22Å; Y10-D29 PolarHBondContact OH-OD1 2.97Å; Y10-D29 PolarHBondContact OH-OD2 3.01Å; Y10-F30 AromaticContact CD1-CD2 3.79Å; Y10-F30 HydrophobicContact CD1-CD2 3.79Å; Y10-F30 HydrophobicContact CD1-CE2 4.18Å; Y10-F30 HydrophobicContact CE1-CD2 4.45Å; Y10-Y33 VanDerWaalsContact CD1-CB 3.4Å; Y10-Y33 AromaticContact CD1-CD1 3.56Å; Y10-Y33 HydrophobicContact CD1-CD1 3.56Å; Y10-Y33 AromaticContact CD1-CD2 3.68Å; Y10-Y33 HydrophobicContact CD1-CD2 3.68Å; Y10-Y33 HydrophobicContact CD1-CE1 4.25Å; Y10-Y33 HydrophobicContact CD1-CE2 4.34Å; Y10-Y33 AromaticContact CD1-CG 3.24Å; Y10-Y33 HydrophobicContact CD1-CG 3.24Å; Y10-Y33 AromaticContact CD2-CD2 3.54Å; Y10-Y33 HydrophobicContact CD2-CD2 3.54Å; Y10-Y33 AromaticContact CD2-CE2 3.75Å; Y10-Y33 HydrophobicContact CD2-CE2 3.75Å; Y10-Y33 HydrophobicContact CD2-CG 4.03Å; Y10-Y33 HydrophobicContact CE1-CD1 4.38Å; Y10-Y33 HydrophobicContact CE1-CD2 4.04Å; Y10-Y33 AromaticContact CE1-CG 3.67Å; Y10-Y33 HydrophobicContact CE1-CG 3.67Å; Y10-Y33 AromaticContact CE2-CD2 3.91Å; Y10-Y33 HydrophobicContact CE2-CD2 3.91Å; Y10-Y33 HydrophobicContact CE2-CE2 4.49Å; Y10-Y33 HydrophobicContact CE2-CG 4.39Å; Y10-Y33 AromaticContact CG-CD1 3.71Å; Y10-Y33 HydrophobicContact CG-CD1 3.71Å; Y10-Y33 AromaticContact CG-CD2 3.4Å; Y10-Y33 HydrophobicContact CG-CD2 3.4Å; Y10-Y33 VanDerWaalsContact CG-CD2 3.4Å; Y10-Y33 AromaticContact CG-CE1 3.96Å; Y10-Y33 HydrophobicContact CG-CE1 3.96Å; Y10-Y33 AromaticContact CG-CE2 3.64Å; Y10-Y33 HydrophobicContact CG-CE2 3.64Å; Y10-Y33 AromaticContact CG-CG 3.43Å; Y10-Y33 HydrophobicContact CG-CG 3.43Å; Y10-Y33 VanDerWaalsContact CG-CG 3.43Å; Y10-Y33 AromaticContact CG-CZ 3.92Å | ||
| 11 | I | 70.6 | Confident | 65 | Low | 49 Ų | 49 | 96.3 Ų | 96.3 | 25% | 0.251 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 108.9 | 179.6 | -51.3 | -175.6 | 0 | 0 | 0 | 107 | Q2 V3 R4 M13 | Q2-I11 HydrophobicContact CB-CG2 3.67Å; Q2-I11 HydrophobicContact CG-CG2 4.38Å; V3-I11 CarbonylContact O-C 3.46Å; V3-I11 VanDerWaalsContact O-CA 3.28Å; V3-I11 WeakPolarHBondContact O-CA 3.44Å; V3-I11 WeakPolarHBondContact O-CG2 3.32Å; R4-I11 HydrophobicContact CG-CB 4.49Å; R4-I11 HydrophobicContact CG-CD1 4.19Å; R4-I11 HydrophobicContact CG-CG1 3.97Å; R4-I11 HydrophobicContact CG-CG2 4.03Å; R4-I11 VanDerWaalsContact NE-CD1 3.33Å; I11-M13 PolarHBondContact O-N 2.7Å |
| 12 | G | 69.6 | Low | 65.5 | Low | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 120.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q2 V3 D29 | Q2-G12 CarbonylContact C-O 3.52Å; Q2-G12 VanDerWaalsContact CA-O 3.31Å; Q2-G12 WeakPolarHBondContact CA-O 3.45Å; V3-G12 PolarHBondContact N-O 2.8Å; V3-G12 PolarHBondContact O-N 3.49Å; G12-D29 WeakPolarHBondContact CA-OD1 3.43Å |
| 13 | M | 71.7 | Confident | 65.9 | Low | 119 Ų | 119 | 91.1 Ų | 91.1 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.9 | -177.9 | -69.8 | -147.9 | -173.7 | 0 | 0 | 111.3 | I11 D29 | I11-M13 PolarHBondContact O-N 2.7Å; M13-D29 PolarHBondContact N-OD1 3.2Å |
| 14 | G | 71 | Confident | 66.4 | Low | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 49% | 0.485 | C | S | . | . | trans | -111.8 | 100.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 A22 | M1-G14 PolarHBondContact N-O 3.31Å; M1-G14 PolarHBondContact O-N 2.92Å; G14-A22 WeakPolarHBondContact CA-O 3.45Å | ||
| 15 | N | 63.9 | Low | 66.9 | Low | 135 Ų | 135 | 86.7 Ų | 86.7 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | trans | -86.6 | 121.7 | 171.3 | -69.8 | -60.7 | 0 | 0 | 0 | 109.5 | N25 | N15-N25 PolarHBondContact O-ND2 3.45Å; N15-N25 VanDerWaalsContact O-ND2 3.1Å | ||
| 16 | S | 68.8 | Low | 67.4 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | trans | -166 | 155.9 | 169.2 | -154.9 | 0 | 0 | 0 | 0 | 110.7 | N18 D21 | S16-N18 VanDerWaalsContact C-N 3.27Å; S16-D21 WeakPolarHBondContact OG-CB 3.44Å | ||
| 17 | T | 66.6 | Low | 68.6 | Low | 144 Ų | 144 | 78.7 Ų | 78.7 | 88% | 0.883 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -74.8 | -17.3 | 175 | 35.4 | 0 | 0 | 0 | 0 | 113 | ||
| 18 | N | 71.1 | Confident | 69.5 | Low | 94 Ų | 94 | 81.2 Ų | 81.2 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -109.3 | 138.7 | 177.4 | -74.2 | -8.7 | 0 | 0 | 0 | 111.5 | S16 K20 D21 A22 | S16-N18 VanDerWaalsContact C-N 3.27Å; N18-K20 VanDerWaalsContact C-N 3.35Å; N18-K20 PolarHBondContact O-N 3.4Å; N18-D21 HydrophobicContact CB-CB 4.05Å; N18-D21 WeakPolarHBondContact CB-OD2 3.3Å; N18-D21 PolarHBondContact ND2-OD2 3.2Å; N18-D21 PolarHBondContact O-N 2.76Å; N18-A22 WeakPolarHBondContact O-CB 3.38Å; N18-A22 PolarHBondContact O-N 2.96Å |
| 19 | K | 73.4 | Confident | 70.6 | Confident | 170 Ų | 170 | 80.6 Ų | 80.6 | 74% | 0.739 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.6 | -38.5 | -180 | -70 | 178.8 | -179.7 | 171.5 | 0 | 113.2 | Q23 | K19-Q23 PolarHBondContact O-N 3.2Å; K19-Q23 VanDerWaalsContact O-N 3.13Å |
| 20 | K | 78 | Confident | 71.2 | Confident | 178 Ų | 178 | 75.1 Ų | 75.1 | 77% | 0.774 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.1 | -51.5 | 178.6 | -67.9 | -177.8 | 179.2 | -179.8 | 0 | 110.8 | N18 A22 Q23 T24 | N18-K20 VanDerWaalsContact C-N 3.35Å; N18-K20 PolarHBondContact O-N 3.4Å; K20-A22 VanDerWaalsContact C-N 3.32Å; K20-A22 PolarHBondContact O-N 3.39Å; K20-Q23 PolarHBondContact O-N 3.41Å; K20-Q23 VanDerWaalsContact O-N 3.15Å; K20-T24 PolarHBondContact O-N 3.07Å; K20-T24 VanDerWaalsContact O-N 3.09Å; K20-T24 PolarHBondContact O-OG1 3.01Å |
| 21 | D | 71.3 | Confident | 71.9 | Confident | 73 Ų | 73 | 75.2 Ų | 75.2 | 39% | 0.39 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 178.6 | -59.5 | -73.5 | 0 | 0 | 0 | 112.1 | S16 N18 Q23 T24 N25 | S16-D21 WeakPolarHBondContact OG-CB 3.44Å; N18-D21 HydrophobicContact CB-CB 4.05Å; N18-D21 WeakPolarHBondContact CB-OD2 3.3Å; N18-D21 PolarHBondContact ND2-OD2 3.2Å; N18-D21 PolarHBondContact O-N 2.76Å; D21-Q23 VanDerWaalsContact C-N 3.3Å; D21-Q23 PolarHBondContact O-N 2.97Å; D21-T24 PolarHBondContact O-N 3.4Å; D21-N25 WeakPolarHBondContact O-CB 3.41Å; D21-N25 VanDerWaalsContact O-CG 3.29Å; D21-N25 PolarHBondContact O-N 2.81Å |
| 22 | A | 68.4 | Low | 71.9 | Confident | 2 Ų | 2 | 78 Ų | 78 | 2% | 0.017 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -33.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 G14 N18 K20 A26 | M1-A22 HydrophobicContact CB-CB 3.72Å; M1-A22 HydrophobicContact CG-CB 3.46Å; M1-A22 VanDerWaalsContact CG-CB 3.46Å; G14-A22 WeakPolarHBondContact CA-O 3.45Å; N18-A22 WeakPolarHBondContact O-CB 3.38Å; N18-A22 PolarHBondContact O-N 2.96Å; K20-A22 VanDerWaalsContact C-N 3.32Å; K20-A22 PolarHBondContact O-N 3.39Å; A22-A26 WeakPolarHBondContact O-CB 3.06Å; A22-A26 PolarHBondContact O-N 2.99Å; A22-A26 VanDerWaalsContact O-N 3.13Å |
| 23 | Q | 73.3 | Confident | 72.1 | Confident | 136 Ų | 136 | 79.9 Ų | 79.9 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -72.8 | -42.7 | 175.4 | -169.7 | 175.1 | -0.5 | 0 | 0 | 111.3 | K19 K20 D21 N25 A26 A27 | K19-Q23 PolarHBondContact O-N 3.2Å; K19-Q23 VanDerWaalsContact O-N 3.13Å; K20-Q23 PolarHBondContact O-N 3.41Å; K20-Q23 VanDerWaalsContact O-N 3.15Å; D21-Q23 VanDerWaalsContact C-N 3.3Å; D21-Q23 PolarHBondContact O-N 2.97Å; Q23-N25 VanDerWaalsContact C-N 3.33Å; Q23-N25 PolarHBondContact O-N 3.18Å; Q23-A26 PolarHBondContact O-N 3.42Å; Q23-A27 PolarHBondContact O-N 3.25Å |
| 24 | T | 76.3 | Confident | 72.1 | Confident | 68 Ų | 68 | 75 Ų | 75 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | K20 D21 A27 R28 | K20-T24 PolarHBondContact O-N 3.07Å; K20-T24 VanDerWaalsContact O-N 3.09Å; K20-T24 PolarHBondContact O-OG1 3.01Å; D21-T24 PolarHBondContact O-N 3.4Å; T24-A27 PolarHBondContact O-N 2.99Å; T24-R28 WeakPolarHBondContact O-CG 3.31Å; T24-R28 PolarHBondContact O-N 3.46Å |
| 25 | N | 73.3 | Confident | 72.1 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 177.3 | -72.9 | -9.6 | 0 | 0 | 0 | 111.9 | N15 D21 Q23 A27 R28 D29 | N15-N25 PolarHBondContact O-ND2 3.45Å; N15-N25 VanDerWaalsContact O-ND2 3.1Å; D21-N25 WeakPolarHBondContact O-CB 3.41Å; D21-N25 VanDerWaalsContact O-CG 3.29Å; D21-N25 PolarHBondContact O-N 2.81Å; Q23-N25 VanDerWaalsContact C-N 3.33Å; Q23-N25 PolarHBondContact O-N 3.18Å; N25-A27 VanDerWaalsContact C-N 3.35Å; N25-A27 PolarHBondContact O-N 3.14Å; N25-R28 PolarHBondContact O-N 2.78Å; N25-D29 VanDerWaalsContact O-CB 3.31Å; N25-D29 WeakPolarHBondContact O-CB 3.41Å; N25-D29 PolarHBondContact O-N 2.8Å |
| 26 | A | 69.6 | Low | 72.1 | Confident | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V3 A22 Q23 F30 | V3-A26 HydrophobicContact CB-CB 4.13Å; V3-A26 HydrophobicContact CG2-CB 3.49Å; V3-A26 VanDerWaalsContact CG2-CB 3.49Å; A22-A26 WeakPolarHBondContact O-CB 3.06Å; A22-A26 PolarHBondContact O-N 2.99Å; A22-A26 VanDerWaalsContact O-N 3.13Å; Q23-A26 PolarHBondContact O-N 3.42Å; A26-F30 WeakPolarHBondContact O-CB 3.34Å; A26-F30 PolarHBondContact O-N 3.15Å; A26-F30 VanDerWaalsContact O-N 3.09Å |
| 27 | A | 74.3 | Confident | 71.9 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q23 T24 N25 F30 V31 | Q23-A27 PolarHBondContact O-N 3.25Å; T24-A27 PolarHBondContact O-N 2.99Å; N25-A27 VanDerWaalsContact C-N 3.35Å; N25-A27 PolarHBondContact O-N 3.14Å; A27-F30 PolarHBondContact O-N 3.44Å; A27-V31 VanDerWaalsContact O-CG2 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.22Å; A27-V31 PolarHBondContact O-N 2.93Å |
| 28 | R | 74.3 | Confident | 71.6 | Confident | 135 Ų | 135 | 76.7 Ų | 76.7 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.3 | -78.5 | 177.9 | 172.6 | 175.2 | -4 | 112.2 | T24 N25 F30 V31 N32 | T24-R28 WeakPolarHBondContact O-CG 3.31Å; T24-R28 PolarHBondContact O-N 3.46Å; N25-R28 PolarHBondContact O-N 2.78Å; R28-F30 VanDerWaalsContact C-N 3.34Å; R28-F30 PolarHBondContact O-N 3.37Å; R28-V31 PolarHBondContact O-N 3.49Å; R28-N32 PolarHBondContact O-N 2.96Å; R28-N32 PolarHBondContact O-ND2 3.31Å |
| 29 | D | 76.9 | Confident | 71.3 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 176.8 | -175.3 | -118 | 0 | 0 | 0 | 111.5 | Y10 G12 M13 N25 V31 N32 Y33 | Y10-D29 PolarHBondContact OH-OD1 2.97Å; Y10-D29 PolarHBondContact OH-OD2 3.01Å; G12-D29 WeakPolarHBondContact CA-OD1 3.43Å; M13-D29 PolarHBondContact N-OD1 3.2Å; N25-D29 VanDerWaalsContact O-CB 3.31Å; N25-D29 WeakPolarHBondContact O-CB 3.41Å; N25-D29 PolarHBondContact O-N 2.8Å; D29-V31 PolarHBondContact O-N 3.34Å; D29-N32 PolarHBondContact O-N 3.34Å; D29-Y33 PolarHBondContact O-N 2.79Å |
| 30 | F | 72.3 | Confident | 70.7 | Confident | 17 Ų | 17 | 73 Ų | 73 | 8% | 0.075 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.5 | -167.4 | -104 | 0 | 0 | 0 | 113.1 | V5 F8 Y10 A26 A27 R28 Y33 L34 | V5-F30 HydrophobicContact CB-CE1 3.8Å; V5-F30 HydrophobicContact CB-CE2 3.98Å; V5-F30 HydrophobicContact CB-CZ 3.37Å; V5-F30 HydrophobicContact CG1-CE1 4.2Å; V5-F30 HydrophobicContact CG1-CZ 4.02Å; V5-F30 HydrophobicContact CG2-CD1 3.85Å; V5-F30 HydrophobicContact CG2-CD2 4.29Å; V5-F30 HydrophobicContact CG2-CE1 3.26Å; V5-F30 HydrophobicContact CG2-CE2 3.81Å; V5-F30 HydrophobicContact CG2-CG 4.34Å; V5-F30 HydrophobicContact CG2-CZ 3.29Å; F8-F30 HydrophobicContact CB-CE2 4.14Å; F8-F30 HydrophobicContact CB-CZ 3.95Å; F8-F30 AromaticContact CD2-CZ 3.93Å; F8-F30 HydrophobicContact CD2-CZ 3.93Å; F8-F30 AromaticContact CG-CZ 3.99Å; F8-F30 HydrophobicContact CG-CZ 3.99Å; Y10-F30 AromaticContact CD1-CD2 3.79Å; Y10-F30 HydrophobicContact CD1-CD2 3.79Å; Y10-F30 HydrophobicContact CD1-CE2 4.18Å; Y10-F30 HydrophobicContact CE1-CD2 4.45Å; A26-F30 WeakPolarHBondContact O-CB 3.34Å; A26-F30 PolarHBondContact O-N 3.15Å; A26-F30 VanDerWaalsContact O-N 3.09Å; A27-F30 PolarHBondContact O-N 3.44Å; R28-F30 VanDerWaalsContact C-N 3.34Å; R28-F30 PolarHBondContact O-N 3.37Å; F30-Y33 HydrophobicContact CE2-CD1 4.47Å; F30-Y33 WeakPolarHBondContact O-CB 3.23Å; F30-Y33 PolarHBondContact O-N 2.92Å; F30-L34 HydrophobicContact CD1-CD1 3.95Å; F30-L34 HydrophobicContact CD1-CG 4.29Å; F30-L34 HydrophobicContact CE1-CD1 3.58Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CE1-CG 3.93Å; F30-L34 HydrophobicContact CZ-CD1 4.35Å; F30-L34 HydrophobicContact CZ-CD2 4.17Å; F30-L34 HydrophobicContact CZ-CG 4.29Å; F30-L34 WeakPolarHBondContact O-CG 3.37Å; F30-L34 PolarHBondContact O-N 3.4Å |
| 31 | V | 74.4 | Confident | 69.7 | Low | 47 Ų | 47 | 70.2 Ų | 70.2 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | A27 R28 D29 Y33 L34 V35 V45 | A27-V31 VanDerWaalsContact O-CG2 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.22Å; A27-V31 PolarHBondContact O-N 2.93Å; R28-V31 PolarHBondContact O-N 3.49Å; D29-V31 PolarHBondContact O-N 3.34Å; V31-Y33 VanDerWaalsContact C-N 3.29Å; V31-Y33 PolarHBondContact O-N 3.32Å; V31-L34 PolarHBondContact O-N 3.33Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 2.9Å; V31-V45 HydrophobicContact CG1-CB 4.25Å; V31-V45 HydrophobicContact CG1-CG1 3.54Å; V31-V45 HydrophobicContact CG1-CG2 3.6Å |
| 32 | N | 71.2 | Confident | 69 | Low | 107 Ų | 107 | 70.1 Ų | 70.1 | 57% | 0.572 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 174.2 | -77.3 | -24.9 | 0 | 0 | 0 | 112.1 | R28 D29 V35 R36 | R28-N32 PolarHBondContact O-N 2.96Å; R28-N32 PolarHBondContact O-ND2 3.31Å; D29-N32 PolarHBondContact O-N 3.34Å; N32-V35 PolarHBondContact O-N 3.1Å; N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 PolarHBondContact O-N 3.13Å |
| 33 | Y | 73.4 | Confident | 68.6 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 173.5 | 170.1 | -94.9 | 0 | 0 | 0 | 111.7 | F8 Y10 D29 F30 V31 V35 R36 V37 | F8-Y33 HydrophobicContact CD1-CE1 4.06Å; Y10-Y33 VanDerWaalsContact CD1-CB 3.4Å; Y10-Y33 AromaticContact CD1-CD1 3.56Å; Y10-Y33 HydrophobicContact CD1-CD1 3.56Å; Y10-Y33 AromaticContact CD1-CD2 3.68Å; Y10-Y33 HydrophobicContact CD1-CD2 3.68Å; Y10-Y33 HydrophobicContact CD1-CE1 4.25Å; Y10-Y33 HydrophobicContact CD1-CE2 4.34Å; Y10-Y33 AromaticContact CD1-CG 3.24Å; Y10-Y33 HydrophobicContact CD1-CG 3.24Å; Y10-Y33 AromaticContact CD2-CD2 3.54Å; Y10-Y33 HydrophobicContact CD2-CD2 3.54Å; Y10-Y33 AromaticContact CD2-CE2 3.75Å; Y10-Y33 HydrophobicContact CD2-CE2 3.75Å; Y10-Y33 HydrophobicContact CD2-CG 4.03Å; Y10-Y33 HydrophobicContact CE1-CD1 4.38Å; Y10-Y33 HydrophobicContact CE1-CD2 4.04Å; Y10-Y33 AromaticContact CE1-CG 3.67Å; Y10-Y33 HydrophobicContact CE1-CG 3.67Å; Y10-Y33 AromaticContact CE2-CD2 3.91Å; Y10-Y33 HydrophobicContact CE2-CD2 3.91Å; Y10-Y33 HydrophobicContact CE2-CE2 4.49Å; Y10-Y33 HydrophobicContact CE2-CG 4.39Å; Y10-Y33 AromaticContact CG-CD1 3.71Å; Y10-Y33 HydrophobicContact CG-CD1 3.71Å; Y10-Y33 AromaticContact CG-CD2 3.4Å; Y10-Y33 HydrophobicContact CG-CD2 3.4Å; Y10-Y33 VanDerWaalsContact CG-CD2 3.4Å; Y10-Y33 AromaticContact CG-CE1 3.96Å; Y10-Y33 HydrophobicContact CG-CE1 3.96Å; Y10-Y33 AromaticContact CG-CE2 3.64Å; Y10-Y33 HydrophobicContact CG-CE2 3.64Å; Y10-Y33 AromaticContact CG-CG 3.43Å; Y10-Y33 HydrophobicContact CG-CG 3.43Å; Y10-Y33 VanDerWaalsContact CG-CG 3.43Å; Y10-Y33 AromaticContact CG-CZ 3.92Å; D29-Y33 PolarHBondContact O-N 2.79Å; F30-Y33 HydrophobicContact CE2-CD1 4.47Å; F30-Y33 WeakPolarHBondContact O-CB 3.23Å; F30-Y33 PolarHBondContact O-N 2.92Å; V31-Y33 VanDerWaalsContact C-N 3.29Å; V31-Y33 PolarHBondContact O-N 3.32Å; Y33-V35 VanDerWaalsContact C-N 3.3Å; Y33-V35 PolarHBondContact O-N 3.5Å; Y33-R36 PolarHBondContact O-N 3.3Å; Y33-R36 VanDerWaalsContact O-N 3.07Å; Y33-V37 HydrophobicContact CD1-CG1 4.48Å; Y33-V37 HydrophobicContact CD2-CG1 4.08Å; Y33-V37 HydrophobicContact CE1-CG1 3.98Å; Y33-V37 HydrophobicContact CE1-CG2 4.23Å; Y33-V37 HydrophobicContact CE2-CG1 3.55Å; Y33-V37 VanDerWaalsContact CZ-CG1 3.48Å; Y33-V37 WeakPolarHBondContact O-CG2 2.98Å; Y33-V37 PolarHBondContact O-N 2.99Å |
| 34 | L | 72.3 | Confident | 67.9 | Low | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 178.4 | -68.9 | 178.8 | 0 | 0 | 0 | 112.9 | F8 F30 V31 V37 G38 E39 I40 | F8-L34 HydrophobicContact CD1-CD2 3.71Å; F8-L34 HydrophobicContact CD2-CD2 4.25Å; F8-L34 HydrophobicContact CE1-CD2 3.33Å; F8-L34 HydrophobicContact CE2-CD2 3.92Å; F8-L34 HydrophobicContact CG-CD2 4.14Å; F8-L34 HydrophobicContact CZ-CD2 3.43Å; F8-L34 VanDerWaalsContact CZ-CD2 3.43Å; F30-L34 HydrophobicContact CD1-CD1 3.95Å; F30-L34 HydrophobicContact CD1-CG 4.29Å; F30-L34 HydrophobicContact CE1-CD1 3.58Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CE1-CG 3.93Å; F30-L34 HydrophobicContact CZ-CD1 4.35Å; F30-L34 HydrophobicContact CZ-CD2 4.17Å; F30-L34 HydrophobicContact CZ-CG 4.29Å; F30-L34 WeakPolarHBondContact O-CG 3.37Å; F30-L34 PolarHBondContact O-N 3.4Å; V31-L34 PolarHBondContact O-N 3.33Å; L34-V37 WeakPolarHBondContact O-CG2 3.21Å; L34-G38 PolarHBondContact O-N 3.48Å; L34-E39 HydrophobicContact CD2-CB 4.46Å; L34-E39 PolarHBondContact O-N 3.4Å; L34-E39 VanDerWaalsContact O-N 3.14Å; L34-I40 HydrophobicContact CB-CB 4.25Å; L34-I40 HydrophobicContact CB-CD1 3.81Å; L34-I40 HydrophobicContact CB-CG1 3.98Å; L34-I40 HydrophobicContact CD1-CD1 3.49Å; L34-I40 VanDerWaalsContact CD1-CD1 3.49Å; L34-I40 HydrophobicContact CD1-CG1 4.35Å; L34-I40 HydrophobicContact CG-CD1 4.28Å; L34-I40 PolarHBondContact O-N 3.09Å |
| 35 | V | 70.4 | Confident | 66.8 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 173.4 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | V31 N32 Y33 G38 I40 A42 V45 | V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 2.9Å; N32-V35 PolarHBondContact O-N 3.1Å; Y33-V35 VanDerWaalsContact C-N 3.3Å; Y33-V35 PolarHBondContact O-N 3.5Å; V35-G38 PolarHBondContact O-N 3.46Å; V35-I40 VanDerWaalsContact CA-O 3.32Å; V35-I40 WeakPolarHBondContact CA-O 3.37Å; V35-I40 HydrophobicContact CG2-CB 4.43Å; V35-I40 HydrophobicContact CG2-CG2 4.37Å; V35-A42 HydrophobicContact CG1-CB 3.81Å; V35-V45 HydrophobicContact CG2-CG2 3.44Å; V35-V45 VanDerWaalsContact CG2-CG2 3.44Å |
| 36 | R | 65.1 | Low | 65.9 | Low | 202 Ų | 202 | 75.7 Ų | 75.7 | 76% | 0.762 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70 | -35.8 | -178.1 | -176.2 | 168.7 | 173.5 | 106.6 | -2.6 | 113.4 | N32 Y33 G38 | N32-R36 WeakPolarHBondContact O-CB 3.4Å; N32-R36 PolarHBondContact O-N 3.13Å; Y33-R36 PolarHBondContact O-N 3.3Å; Y33-R36 VanDerWaalsContact O-N 3.07Å; R36-G38 PolarHBondContact O-N 2.98Å |
| 37 | V | 63.3 | Low | 65.2 | Low | 68 Ų | 68 | 80.3 Ų | 80.3 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -3.5 | 175 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | Y33 L34 E39 | Y33-V37 HydrophobicContact CD1-CG1 4.48Å; Y33-V37 HydrophobicContact CD2-CG1 4.08Å; Y33-V37 HydrophobicContact CE1-CG1 3.98Å; Y33-V37 HydrophobicContact CE1-CG2 4.23Å; Y33-V37 HydrophobicContact CE2-CG1 3.55Å; Y33-V37 VanDerWaalsContact CZ-CG1 3.48Å; Y33-V37 WeakPolarHBondContact O-CG2 2.98Å; Y33-V37 PolarHBondContact O-N 2.99Å; L34-V37 WeakPolarHBondContact O-CG2 3.21Å; V37-E39 VanDerWaalsContact C-N 3.28Å; V37-E39 HydrophobicContact CG2-CB 3.93Å; V37-E39 HydrophobicContact CG2-CG 3.83Å; V37-E39 PolarHBondContact O-N 3.41Å |
| 38 | G | 61.8 | Low | 64 | Low | 59 Ų | 59 | 84.6 Ų | 84.6 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 10 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L34 V35 R36 | L34-G38 PolarHBondContact O-N 3.48Å; V35-G38 PolarHBondContact O-N 3.46Å; R36-G38 PolarHBondContact O-N 2.98Å |
| 39 | E | 64.3 | Low | 62.6 | Low | 131 Ų | 131 | 80.3 Ų | 80.3 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -75.5 | -28.4 | 176 | -80.3 | -96.8 | 102.8 | 0 | 0 | 111.9 | F8 L34 V37 | F8-E39 HydrophobicContact CE1-CB 4.44Å; F8-E39 HydrophobicContact CE1-CG 3.97Å; F8-E39 VanDerWaalsContact CE1-OE2 3.23Å; F8-E39 WeakPolarHBondContact CE1-OE2 3.43Å; F8-E39 HydrophobicContact CZ-CG 4.41Å; F8-E39 WeakPolarHBondContact CZ-OE2 3.35Å; L34-E39 HydrophobicContact CD2-CB 4.46Å; L34-E39 PolarHBondContact O-N 3.4Å; L34-E39 VanDerWaalsContact O-N 3.14Å; V37-E39 VanDerWaalsContact C-N 3.28Å; V37-E39 HydrophobicContact CG2-CB 3.93Å; V37-E39 HydrophobicContact CG2-CG 3.83Å; V37-E39 PolarHBondContact O-N 3.41Å |
| 40 | I | 60.7 | Low | 61 | Low | 56 Ų | 56 | 84.7 Ų | 84.7 | 29% | 0.287 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -124.5 | 133.4 | 173.9 | -62.4 | -176.2 | 0 | 0 | 0 | 109 | L34 V35 E44 V45 | L34-I40 HydrophobicContact CB-CB 4.25Å; L34-I40 HydrophobicContact CB-CD1 3.81Å; L34-I40 HydrophobicContact CB-CG1 3.98Å; L34-I40 HydrophobicContact CD1-CD1 3.49Å; L34-I40 VanDerWaalsContact CD1-CD1 3.49Å; L34-I40 HydrophobicContact CD1-CG1 4.35Å; L34-I40 HydrophobicContact CG-CD1 4.28Å; L34-I40 PolarHBondContact O-N 3.09Å; V35-I40 VanDerWaalsContact CA-O 3.32Å; V35-I40 WeakPolarHBondContact CA-O 3.37Å; V35-I40 HydrophobicContact CG2-CB 4.43Å; V35-I40 HydrophobicContact CG2-CG2 4.37Å; I40-E44 HydrophobicContact CG2-CB 4.09Å; I40-V45 HydrophobicContact CG2-CG2 3.62Å |
| 41 | N | 56.6 | Low | 59.3 | Low | 120 Ų | 120 | 86.2 Ų | 86.2 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | trans | -74.4 | 138.1 | 171.9 | -120 | -81.1 | 0 | 0 | 0 | 109.7 | A43 E44 V45 | N41-A43 PolarHBondContact O-N 3.27Å; N41-E44 HydrophobicContact CB-CG 4.02Å; N41-E44 WeakPolarHBondContact O-CB 3.31Å; N41-E44 PolarHBondContact O-N 2.98Å; N41-V45 PolarHBondContact O-N 3.03Å | ||
| 42 | A | 57.5 | Low | 57.6 | Low | 70 Ų | 70 | 89.9 Ų | 89.9 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | V35 | V35-A42 HydrophobicContact CG1-CB 3.81Š|
| 43 | A | 59.2 | Low | 56.2 | Low | 88 Ų | 88 | 90.3 Ų | 90.3 | 73% | 0.727 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -25.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N41 | N41-A43 PolarHBondContact O-N 3.27Š|
| 44 | E | 57.8 | Low | 54.9 | Low | 154 Ų | 154 | 93.1 Ų | 93.1 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -17.3 | 179.2 | -63.6 | -74.1 | 114.2 | 0 | 0 | 111.9 | I40 N41 P46 | I40-E44 HydrophobicContact CG2-CB 4.09Å; N41-E44 HydrophobicContact CB-CG 4.02Å; N41-E44 WeakPolarHBondContact O-CB 3.31Å; N41-E44 PolarHBondContact O-N 2.98Å; E44-P46 WeakPolarHBondContact O-CD 3.49Å |
| 45 | V | 54.3 | Low | 53.6 | Low | 38 Ų | 38 | 95.4 Ų | 95.4 | 23% | 0.23 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -73.9 | 120 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | V31 V35 I40 N41 A47 | V31-V45 HydrophobicContact CG1-CB 4.25Å; V31-V45 HydrophobicContact CG1-CG1 3.54Å; V31-V45 HydrophobicContact CG1-CG2 3.6Å; V35-V45 HydrophobicContact CG2-CG2 3.44Å; V35-V45 VanDerWaalsContact CG2-CG2 3.44Å; I40-V45 HydrophobicContact CG2-CG2 3.62Å; N41-V45 PolarHBondContact O-N 3.03Å; V45-A47 PolarHBondContact O-N 3.09Å |
| 46 | P | 55.1 | Low | 52.2 | Low | 104 Ų | 104 | 100.9 Ų | 100.9 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | trans | -54.2 | 117.6 | 173.5 | -21 | 31 | 0 | 0 | 0 | 108.1 | E44 I48 | E44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-I48 VanDerWaalsContact C-N 3.26Å; P46-I48 PolarHBondContact O-N 3.31Å | ||
| 47 | A | 53.5 | Low | 51.8 | Low | 97 Ų | 97 | 100 Ų | 100 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | -60.1 | 99.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | V45 G49 | V45-A47 PolarHBondContact O-N 3.09Å; A47-G49 PolarHBondContact O-N 2.92Å | ||
| 48 | I | 49.8 | Very low | 50.7 | Low | 137 Ų | 137 | 105 Ų | 105 | 70% | 0.703 | 67% | 0.669 | S | S | * | * | trans | -71.5 | 63.2 | 163.8 | -53.2 | -170.1 | 0 | 0 | 0 | 106.1 | P46 | P46-I48 VanDerWaalsContact C-N 3.26Å; P46-I48 PolarHBondContact O-N 3.31Å | ||
| 49 | G | 44.6 | Very low | 50.4 | Low | 46 Ų | 46 | 110.2 Ų | 110.2 | 47% | 0.474 | 68% | 0.683 | S | S | . | * | trans | -73.5 | 131.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | A47 G51 | A47-G49 PolarHBondContact O-N 2.92Å; G49-G51 PolarHBondContact O-N 2.8Å | ||
| 50 | V | 43.2 | Very low | 49.2 | Very low | 138 Ų | 138 | 107.2 Ų | 107.2 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | 34.9 | 70.6 | 74.6 | -169.4 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 51 | G | 37.7 | Very low | 48.3 | Very low | 49 Ų | 49 | 108.5 Ų | 108.5 | 51% | 0.505 | 71% | 0.714 | S | S | . | * | trans | -53.9 | 161.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G49 | G49-G51 PolarHBondContact O-N 2.8Š| ||
| 52 | P | 38.8 | Very low | 47.5 | Very low | 124 Ų | 124 | 106.6 Ų | 106.6 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | trans | -48.1 | 136.1 | -174 | 21.9 | -33.3 | 0 | 0 | 0 | 110.1 | A54 | P52-A54 VanDerWaalsContact C-N 3.33Å; P52-A54 PolarHBondContact O-N 2.8Å | ||
| 53 | P | 40.3 | Very low | 47.1 | Very low | 116 Ų | 116 | 107.3 Ų | 107.3 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -64.5 | 100.8 | 177.6 | 27.7 | -31.7 | 0 | 0 | 0 | 107 | G55 | P53-G55 PolarHBondContact O-N 3.29Å; P53-G55 VanDerWaalsContact O-N 3.15Å | ||
| 54 | A | 46.6 | Very low | 46.1 | Very low | 98 Ų | 98 | 111.5 Ų | 111.5 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | -60.8 | 115.1 | 151.5 | 0 | 0 | 0 | 0 | 0 | 104.5 | P52 | P52-A54 VanDerWaalsContact C-N 3.33Å; P52-A54 PolarHBondContact O-N 2.8Å | ||
| 55 | G | 44.3 | Very low | 45.5 | Very low | 64 Ų | 64 | 111.6 Ų | 111.6 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -43 | 134 | -162 | 0 | 0 | 0 | 0 | 0 | 114.8 | P53 | P53-G55 PolarHBondContact O-N 3.29Å; P53-G55 VanDerWaalsContact O-N 3.15Å |
| 56 | D | 42.1 | Very low | 45 | Very low | 159 Ų | 159 | 113.4 Ų | 113.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | -160 | 129.2 | 114.2 | -123.5 | -117.6 | 0 | 0 | 0 | 109.2 | L58 | D56-L58 PolarHBondContact O-N 3.04Š| |||
| 57 | Q | 55.5 | Low | 44.4 | Very low | 185 Ų | 185 | 109.5 Ų | 109.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -56.6 | 125.3 | -177.3 | -79.3 | 156.6 | -123.8 | 0 | 0 | 111.5 | ||||
| 58 | L | 40.3 | Very low | 44.1 | Very low | 172 Ų | 172 | 115.1 Ų | 115.1 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | -105.6 | 97.7 | 154.1 | -54.3 | 177.1 | 0 | 0 | 0 | 106.3 | D56 G60 | D56-L58 PolarHBondContact O-N 3.04Å; L58-G60 PolarHBondContact O-N 3.46Å | ||
| 59 | D | 57.1 | Low | 44.1 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -57.6 | 123.8 | 170.1 | -179.1 | 57.1 | 0 | 0 | 0 | 109.9 | ||||
| 60 | G | 37.6 | Very low | 44.1 | Very low | 68 Ų | 68 | 116.4 Ų | 116.4 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 161.8 | 77.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L58 | L58-G60 PolarHBondContact O-N 3.46Š| ||
| 61 | G | 42.8 | Very low | 44.4 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -65.9 | 135 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 62 | A | 39.4 | Very low | 44.8 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -169.3 | 120.3 | 134.6 | 0 | 0 | 0 | 0 | 0 | 106 | E64 | A62-E64 PolarHBondContact O-N 3.03Š| ||
| 63 | G | 48.4 | Very low | 45.4 | Very low | 85 Ų | 85 | 119 Ų | 119 | 88% | 0.876 | 77% | 0.766 | S | S | * | * | trans | -65.7 | 118 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | E | 38 | Very low | 45.6 | Very low | 175 Ų | 175 | 118.2 Ų | 118.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -130.1 | 108 | 161.3 | -68.7 | -177.3 | 94 | 0 | 0 | 106.6 | A62 G66 | A62-E64 PolarHBondContact O-N 3.03Å; E64-G66 VanDerWaalsContact C-N 3.3Å; E64-G66 PolarHBondContact O-N 2.88Å | ||
| 65 | D | 45.2 | Very low | 46 | Very low | 157 Ų | 157 | 116 Ų | 116 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -39.2 | 91.7 | 167 | -171 | -103.7 | 0 | 0 | 0 | 109.8 | G67 | D65-G67 PolarHBondContact O-N 3.44Š| ||
| 66 | G | 45 | Very low | 46.1 | Very low | 76 Ų | 76 | 119 Ų | 119 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -74.3 | 32 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E64 F68 | E64-G66 VanDerWaalsContact C-N 3.3Å; E64-G66 PolarHBondContact O-N 2.88Å; G66-F68 PolarHBondContact O-N 3.4Å | ||
| 67 | G | 41.4 | Very low | 46.3 | Very low | 22 Ų | 22 | 117 Ų | 117 | 23% | 0.227 | 75% | 0.746 | C | S | . | * | trans | -57.2 | 124.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | D65 G69 | D65-G67 PolarHBondContact O-N 3.44Å; G67-G69 PolarHBondContact O-N 3.39Å | ||
| 68 | F | 47 | Very low | 46.1 | Very low | 214 Ų | 214 | 110.4 Ų | 110.4 | 94% | 0.939 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -32.6 | 81.7 | 141.1 | 23 | -95.4 | 0 | 0 | 0 | 110.8 | G66 | G66-F68 PolarHBondContact O-N 3.4Š|
| 69 | G | 51.3 | Low | 46.6 | Very low | 64 Ų | 64 | 107.5 Ų | 107.5 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | trans | 150.5 | 44 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | G67 | G67-G69 PolarHBondContact O-N 3.39Š| ||
| 70 | N | 44.3 | Very low | 46.3 | Very low | 147 Ų | 147 | 103.4 Ų | 103.4 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | trans | -159.7 | 67.8 | 152.7 | -128.9 | -44.9 | 0 | 0 | 0 | 113.1 | ||||
| 71 | L | 49 | Very low | 46.7 | Very low | 143 Ų | 143 | 105 Ų | 105 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | -78 | 130.9 | 155.3 | -71 | 169 | 0 | 0 | 0 | 107 | ||||
| 72 | P | 47.2 | Very low | 46.9 | Very low | 95 Ų | 95 | 105.2 Ų | 105.2 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -55.3 | 132.1 | 175.7 | 23.2 | -32.4 | 0 | 0 | 0 | 108.7 | S74 | P72-S74 PolarHBondContact O-N 3.15Š| ||
| 73 | P | 50 | Low | 47 | Very low | 127 Ų | 127 | 106.9 Ų | 106.9 | 83% | 0.825 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 14.9 | -175.7 | 27.4 | -34.9 | 0 | 0 | 0 | 114 | ||
| 74 | S | 44 | Very low | 46.8 | Very low | 99 Ų | 99 | 112.4 Ų | 112.4 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.4 | 19.6 | -159.7 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | P72 | P72-S74 PolarHBondContact O-N 3.15Š|
| 75 | G | 55.6 | Low | 47.3 | Very low | 53 Ų | 53 | 113 Ų | 113 | 55% | 0.546 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -67.7 | 123.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L77 | G75-L77 PolarHBondContact O-N 3.13Å; G75-L77 VanDerWaalsContact O-N 3.15Å |
| 76 | P | 46.2 | Very low | 47.2 | Very low | 126 Ų | 126 | 114 Ų | 114 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -55 | 125.9 | -175.7 | 19.3 | -29.7 | 0 | 0 | 0 | 109.8 | ||
| 77 | L | 46.7 | Very low | 46.7 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 61% | 0.607 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -49 | 129.6 | 174.3 | -32 | 172.4 | 0 | 0 | 0 | 107.3 | G75 V82 | G75-L77 PolarHBondContact O-N 3.13Å; G75-L77 VanDerWaalsContact O-N 3.15Å; L77-V82 HydrophobicContact CB-CG2 3.91Å; L77-V82 HydrophobicContact CD1-CG2 3.78Å; L77-V82 HydrophobicContact CG-CG2 4.41Å |
| 78 | P | 51.9 | Low | 46.9 | Very low | 47 Ų | 47 | 121.9 Ų | 121.9 | 31% | 0.305 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 134.4 | 176.6 | 23.4 | -30.9 | 0 | 0 | 0 | 108.3 | H80 L81 | P78-H80 PolarHBondContact O-N 2.84Å; P78-L81 HydrophobicContact CG-CB 4.07Å; P78-L81 HydrophobicContact CG-CD2 4.44Å; P78-L81 WeakPolarHBondContact O-CB 3.28Å; P78-L81 PolarHBondContact O-N 2.72Å |
| 79 | P | 49.7 | Very low | 46.4 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -9.9 | -165.7 | 22.2 | -33.7 | 0 | 0 | 0 | 114.8 | ||
| 80 | H | 50.9 | Low | 45.8 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 38% | 0.384 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | -16.2 | 170.3 | 68.4 | -96.7 | 0 | 0 | 0 | 113.4 | N9 P78 | N9-H80 PolarHBondContact O-CE1 2.84Å; N9-H80 PolarHBondContact O-NE2 3Å; P78-H80 PolarHBondContact O-N 2.84Å |
| 81 | L | 47.5 | Very low | 45.9 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 53% | 0.529 | 72% | 0.723 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -12.6 | 177.8 | -154.9 | 71.5 | 0 | 0 | 0 | 112.2 | P78 V83 | P78-L81 HydrophobicContact CG-CB 4.07Å; P78-L81 HydrophobicContact CG-CD2 4.44Å; P78-L81 WeakPolarHBondContact O-CB 3.28Å; P78-L81 PolarHBondContact O-N 2.72Å; L81-V83 VanDerWaalsContact C-N 3.33Å |
| 82 | V | 45.3 | Very low | 45.7 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 52% | 0.521 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -79.2 | -14.8 | 172.9 | 170.3 | 0 | 0 | 0 | 0 | 112.3 | L77 K84 | L77-V82 HydrophobicContact CB-CG2 3.91Å; L77-V82 HydrophobicContact CD1-CG2 3.78Å; L77-V82 HydrophobicContact CG-CG2 4.41Å; V82-K84 PolarHBondContact O-N 3.27Å |
| 83 | V | 41.8 | Very low | 45.6 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 66.8 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | L81 | L81-V83 VanDerWaalsContact C-N 3.33Š|
| 84 | K | 45.2 | Very low | 45.4 | Very low | 200 Ų | 200 | 126.2 Ų | 126.2 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.3 | 30.2 | 158.8 | -117.9 | 176.8 | -171.6 | -173.5 | 0 | 114.2 | V82 | V82-K84 PolarHBondContact O-N 3.27Š|
| 85 | E | 48.3 | Very low | 45.5 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -133.4 | 134.4 | 159.8 | -68.8 | -176 | 128.5 | 0 | 0 | 106.9 | ||
| 86 | E | 42.3 | Very low | 44.8 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 87.5 | 101.5 | -173.4 | -153.2 | 158.8 | 122.1 | 0 | 0 | 113.3 | ||
| 87 | Q | 34.7 | Very low | 44.7 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | cis | -151.3 | 111.2 | 43.8 | -100.3 | 149.2 | 81.4 | 0 | 0 | 110.9 | ||||
| 88 | G | 45.2 | Very low | 44.5 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | trans | -123.8 | 88.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 89 | K | 37.9 | Very low | 43.9 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -147.8 | 109.7 | 169.1 | -165.2 | 158.5 | -178 | 177.1 | 0 | 111.8 | ||||
| 90 | S | 38.3 | Very low | 43.4 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 100% | 1.308 | 78% | 0.779 | S | S | * | * | trans | 86 | 0 | 163.8 | -23 | 0 | 0 | 0 | 0 | 116.7 |
Retrieved 90 of 90 residues in 84.4 ms
(Link to these results)