| 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 | 46 | Very low | 69.6 | Low | 237 Ų | 237 | 110.7 Ų | 110.7 | 100% | 1.167 | 61% | 0.611 | S | S | * | * | 0 | 118.9 | 0 | -75.5 | 172.6 | 175.3 | 0 | 0 | 107.2 | |||||
| 2 | V | 49 | Very low | 70.2 | Confident | 138 Ų | 138 | 104 Ų | 104 | 84% | 0.836 | 58% | 0.577 | S | S | * | * | trans | -94 | 110.7 | 177.4 | -69.4 | 0 | 0 | 0 | 0 | 108.1 | V4 | V2-V4 PolarHBondContact O-N 3.5Š| ||
| 3 | N | 61.7 | Low | 71.3 | Confident | 146 Ų | 146 | 105.2 Ų | 105.2 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | trans | -84.6 | 100.9 | 171.6 | -98.4 | 62.7 | 0 | 0 | 0 | 108.1 | T5 | N3-T5 PolarHBondContact O-N 3.09Š| ||
| 4 | V | 57.5 | Low | 72.2 | Confident | 136 Ų | 136 | 103.2 Ų | 103.2 | 82% | 0.824 | 58% | 0.576 | S | S | * | * | trans | -88.5 | 90.9 | 170.2 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | V2 | V2-V4 PolarHBondContact O-N 3.5Š| ||
| 5 | T | 67.3 | Low | 72.7 | Confident | 66 Ų | 66 | 101.5 Ų | 101.5 | 41% | 0.405 | 58% | 0.58 | S | S | . | * | trans | -96.1 | 129.7 | 172.2 | -52.3 | 0 | 0 | 0 | 0 | 108.4 | N3 G7 L35 F44 | N3-T5 PolarHBondContact O-N 3.09Å; T5-G7 PolarHBondContact O-N 3.49Å; T5-L35 HydrophobicContact CG2-CD1 3.75Å; T5-L35 HydrophobicContact CG2-CD2 4.33Å; T5-F44 WeakPolarHBondContact O-CE1 3.26Å; T5-F44 VanDerWaalsContact O-CZ 3.32Å; T5-F44 WeakPolarHBondContact O-CZ 3.47Å | ||
| 6 | K | 71.6 | Confident | 72.9 | Confident | 198 Ų | 198 | 98.9 Ų | 98.9 | 86% | 0.861 | 56% | 0.563 | S | S | * | * | trans | -73.3 | 123.5 | 171.9 | -65.9 | -177.2 | -179.9 | -178.2 | 0 | 108.3 | ||||
| 7 | G | 81.2 | Confident | 73.2 | Confident | 27 Ų | 27 | 95.1 Ų | 95.1 | 28% | 0.278 | 54% | 0.538 | S | S | . | . | trans | -158.5 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T5 F44 I45 | T5-G7 PolarHBondContact O-N 3.49Å; G7-F44 VanDerWaalsContact CA-CZ 3.43Å; G7-I45 CarbonylContact C-O 3.59Å; G7-I45 VanDerWaalsContact CA-O 3.26Å; G7-I45 WeakPolarHBondContact CA-O 3.33Å | ||
| 8 | V | 82.1 | Confident | 73.7 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 35% | 0.345 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.4 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | V10 I45 A47 V50 | V8-V10 HydrophobicContact CG1-CG2 4.03Å; V8-I45 HydrophobicContact CB-CG1 4.37Å; V8-I45 PolarHBondContact N-O 3.5Å; V8-I45 PolarHBondContact O-N 3.1Å; V8-A47 HydrophobicContact CG2-CB 3.81Å; V8-V50 HydrophobicContact CB-CG2 3.69Å; V8-V50 HydrophobicContact CG1-CG2 4.18Å; V8-V50 HydrophobicContact CG2-CG2 3.78Å |
| 9 | L | 83.3 | Confident | 73.9 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.7 | 169.8 | -176.2 | 142 | 0 | 0 | 0 | 107.8 | T11 L38 F44 | L9-T11 HydrophobicContact CD2-CG2 3.73Å; L9-L38 HydrophobicContact CD1-CD1 3.48Å; L9-L38 VanDerWaalsContact CD1-CD1 3.48Å; L9-F44 HydrophobicContact CB-CD2 4.11Å; L9-F44 HydrophobicContact CB-CE2 4.47Å |
| 10 | V | 81.3 | Confident | 74.1 | Confident | 37 Ų | 37 | 89 Ų | 89 | 22% | 0.224 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.7 | 177.9 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | V8 C12 V43 I45 | V8-V10 HydrophobicContact CG1-CG2 4.03Å; V10-C12 WeakPolarHBondContact CG1-SG 2.95Å; V10-V43 HydrophobicContact CB-CG2 4.02Å; V10-V43 PolarHBondContact N-O 2.76Å; V10-V43 PolarHBondContact O-N 2.75Å; V10-I45 HydrophobicContact CG2-CD1 3.54Å; V10-I45 HydrophobicContact CG2-CG1 3.74Å |
| 11 | T | 84.6 | Confident | 74.3 | Confident | 91 Ų | 91 | 88.8 Ų | 88.8 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 116.4 | 171.5 | 54 | 0 | 0 | 0 | 0 | 108.9 | L9 T41 | L9-T11 HydrophobicContact CD2-CG2 3.73Å; T11-T41 CarbonylContact C-O 3.4Å; T11-T41 WeakPolarHBondContact CA-O 3.35Å |
| 12 | C | 76.7 | Confident | 75.7 | Confident | 30 Ų | 30 | 82.6 Ų | 82.6 | 20% | 0.203 | 46% | 0.46 | C | S | . | . | trans | -140.6 | 160.7 | 176.3 | -58 | 0 | 0 | 0 | 0 | 111.7 | V10 M16 T41 | V10-C12 WeakPolarHBondContact CG1-SG 2.95Å; C12-M16 HydrophobicContact CB-CB 3.55Å; C12-M16 HydrophobicContact CB-CG 3.6Å; C12-T41 PolarHBondContact N-O 3.38Å; C12-T41 CarbonylContact O-C 3.59Å; C12-T41 WeakPolarHBondContact O-CA 3.37Å; C12-T41 WeakPolarHBondContact O-CB 3.14Å; C12-T41 VanDerWaalsContact O-O 3.11Å | ||
| 13 | D | 85 | Confident | 76.9 | Confident | 120 Ų | 120 | 76.6 Ų | 76.6 | 64% | 0.642 | 42% | 0.424 | S | S | * | . | trans | -64 | 157.9 | 172.7 | -66.2 | -87.4 | 0 | 0 | 0 | 112.9 | A15 M16 K17 | D13-A15 PolarHBondContact O-N 2.77Å; D13-A15 VanDerWaalsContact O-N 3.1Å; D13-M16 WeakPolarHBondContact O-CA 3.36Å; D13-M16 WeakPolarHBondContact O-CB 3.46Å; D13-M16 PolarHBondContact O-N 3.49Å; D13-K17 PolarHBondContact O-N 2.99Å | ||
| 14 | P | 83.5 | Confident | 77.5 | Confident | 77 Ų | 77 | 70.4 Ų | 70.4 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.7 | -30.7 | -179.6 | 21.4 | -34.4 | 0 | 0 | 0 | 113.4 | K17 Q18 | P14-K17 PolarHBondContact O-N 2.92Å; P14-Q18 PolarHBondContact O-N 2.76Å |
| 15 | A | 80.1 | Confident | 78.3 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D13 Q18 F19 | D13-A15 PolarHBondContact O-N 2.77Å; D13-A15 VanDerWaalsContact O-N 3.1Å; A15-Q18 PolarHBondContact O-N 3.12Å; A15-F19 PolarHBondContact O-N 3.48Å |
| 16 | M | 75.5 | Confident | 78.3 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 30% | 0.3 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.6 | -36.4 | 178.2 | -170.5 | 64.7 | 179.1 | 0 | 0 | 111.1 | C12 D13 Q18 F19 L20 I57 | C12-M16 HydrophobicContact CB-CB 3.55Å; C12-M16 HydrophobicContact CB-CG 3.6Å; D13-M16 WeakPolarHBondContact O-CA 3.36Å; D13-M16 WeakPolarHBondContact O-CB 3.46Å; D13-M16 PolarHBondContact O-N 3.49Å; M16-Q18 VanDerWaalsContact C-N 3.3Å; M16-Q18 PolarHBondContact O-N 2.9Å; M16-F19 HydrophobicContact CE-CD1 4.26Å; M16-F19 WeakPolarHBondContact O-CB 3.42Å; M16-F19 PolarHBondContact O-N 3.24Å; M16-F19 HydrophobicContact SD-CB 4.44Å; M16-F19 HydrophobicContact SD-CD1 4.05Å; M16-L20 HydrophobicContact CE-CD2 4.33Å; M16-L20 HydrophobicContact CG-CG 4.48Å; M16-L20 WeakPolarHBondContact O-CB 3.31Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.38Å; M16-L20 PolarHBondContact O-N 3.21Å; M16-I57 HydrophobicContact CE-CD1 3.82Å |
| 17 | K | 78.9 | Confident | 77.7 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 14% | 0.143 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.3 | -45 | 171.3 | 176.8 | 179.6 | 172.2 | -177 | 0 | 111.2 | D13 P14 F19 L20 L21 D39 D40 V43 | D13-K17 PolarHBondContact O-N 2.99Å; P14-K17 PolarHBondContact O-N 2.92Å; K17-F19 VanDerWaalsContact C-N 3.32Å; K17-F19 PolarHBondContact O-N 2.84Å; K17-L20 PolarHBondContact O-N 3.07Å; K17-L21 HydrophobicContact CG-CD1 4.25Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.84Å; K17-D39 PolarHBondContact NZ-O 3.18Å; K17-D40 WeakPolarHBondContact CD-O 3.12Å; K17-D40 IonicContact NZ-OD1 2.93Å; K17-D40 PolarHBondContact NZ-OD1 3.48Å; K17-V43 HydrophobicContact CD-CG1 4.47Å; K17-V43 HydrophobicContact CG-CG1 4.17Å |
| 18 | Q | 81 | Confident | 76.6 | Confident | 102 Ų | 102 | 69 Ų | 69 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 177.4 | -160 | -102.4 | -117.1 | 0 | 0 | 111.6 | P14 A15 M16 L21 H22 | P14-Q18 PolarHBondContact O-N 2.76Å; A15-Q18 PolarHBondContact O-N 3.12Å; M16-Q18 VanDerWaalsContact C-N 3.3Å; M16-Q18 PolarHBondContact O-N 2.9Å; Q18-L21 PolarHBondContact O-N 3.39Å; Q18-H22 VanDerWaalsContact CD-CE1 3.45Å; Q18-H22 PolarHBondContact NE2-CE1 3.49Å; Q18-H22 PolarHBondContact NE2-ND1 2.98Å; Q18-H22 PolarHBondContact NE2-NE2 2.96Å; Q18-H22 PolarHBondContact O-N 2.86Å; Q18-H22 PolarHBondContact O-ND1 3.18Å |
| 19 | F | 78.6 | Confident | 75.4 | Confident | 59 Ų | 59 | 68 Ų | 68 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 173.2 | -173.1 | -110.2 | 0 | 0 | 0 | 111.3 | A15 M16 K17 L21 H22 L23 I57 L64 | A15-F19 PolarHBondContact O-N 3.48Å; M16-F19 HydrophobicContact CE-CD1 4.26Å; M16-F19 WeakPolarHBondContact O-CB 3.42Å; M16-F19 PolarHBondContact O-N 3.24Å; M16-F19 HydrophobicContact SD-CB 4.44Å; M16-F19 HydrophobicContact SD-CD1 4.05Å; K17-F19 VanDerWaalsContact C-N 3.32Å; K17-F19 PolarHBondContact O-N 2.84Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L21 PolarHBondContact O-N 3.04Å; F19-H22 CarbonylContact O-C 3.58Å; F19-H22 WeakPolarHBondContact O-CB 3.41Å; F19-H22 PolarHBondContact O-N 3.33Å; F19-H22 VanDerWaalsContact O-N 3.13Å; F19-L23 HydrophobicContact CD1-CD1 3.78Å; F19-L23 HydrophobicContact CD1-CG 4.21Å; F19-L23 HydrophobicContact CE1-CD1 3.45Å; F19-L23 VanDerWaalsContact CE1-CD1 3.45Å; F19-L23 HydrophobicContact CE1-CD2 4.41Å; F19-L23 HydrophobicContact CE1-CG 4.03Å; F19-L23 HydrophobicContact CZ-CD1 4.06Å; F19-L23 HydrophobicContact CZ-CD2 4.2Å; F19-L23 HydrophobicContact CZ-CG 4.27Å; F19-L23 WeakPolarHBondContact O-CG 3.45Å; F19-L23 PolarHBondContact O-N 2.59Å; F19-I57 HydrophobicContact CE1-CG1 4.15Å; F19-I57 HydrophobicContact CE1-CG2 4.2Å; F19-L64 HydrophobicContact CE2-CD1 4.29Å |
| 20 | L | 77.2 | Confident | 74.3 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.3 | -68.3 | 176.4 | 0 | 0 | 0 | 112 | M16 K17 H22 L23 D24 F33 I34 V43 L53 I57 | M16-L20 HydrophobicContact CE-CD2 4.33Å; M16-L20 HydrophobicContact CG-CG 4.48Å; M16-L20 WeakPolarHBondContact O-CB 3.31Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.38Å; M16-L20 PolarHBondContact O-N 3.21Å; K17-L20 PolarHBondContact O-N 3.07Å; L20-H22 VanDerWaalsContact C-N 3.34Å; L20-H22 PolarHBondContact O-N 2.92Å; L20-L23 CarbonylContact O-C 3.6Å; L20-L23 PolarHBondContact O-N 3.49Å; L20-D24 WeakPolarHBondContact O-CB 3.2Å; L20-D24 PolarHBondContact O-N 3.28Å; L20-F33 HydrophobicContact CB-CE2 4.04Å; L20-F33 HydrophobicContact CB-CZ 4.09Å; L20-F33 HydrophobicContact CD2-CE2 3.81Å; L20-F33 HydrophobicContact CD2-CZ 3.99Å; L20-F33 HydrophobicContact CG-CE2 4.39Å; L20-F33 WeakPolarHBondContact O-CZ 3.07Å; L20-I34 HydrophobicContact CB-CD1 4.24Å; L20-V43 HydrophobicContact CD1-CG2 3.81Å; L20-L53 HydrophobicContact CD2-CD1 4.11Å; L20-L53 HydrophobicContact CD2-CD2 3.75Å; L20-L53 HydrophobicContact CD2-CG 4.36Å; L20-I57 HydrophobicContact CD2-CD1 3.99Å |
| 21 | L | 77.5 | Confident | 73.6 | Confident | 85 Ų | 85 | 69.3 Ų | 69.3 | 45% | 0.445 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 174.4 | -75.7 | 165.8 | 0 | 0 | 0 | 112.1 | K17 Q18 F19 L23 D24 E25 I34 | K17-L21 HydrophobicContact CG-CD1 4.25Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.84Å; Q18-L21 PolarHBondContact O-N 3.39Å; F19-L21 VanDerWaalsContact C-N 3.33Å; F19-L21 PolarHBondContact O-N 3.04Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L21-D24 PolarHBondContact O-N 3.49Å; L21-E25 WeakPolarHBondContact O-CB 3.42Å; L21-E25 PolarHBondContact O-N 3.3Å; L21-I34 HydrophobicContact CD2-CD1 3.98Å; L21-I34 HydrophobicContact CG-CD1 4.32Å |
| 22 | H | 76.9 | Confident | 72.9 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 173.5 | -81.9 | 46.1 | 0 | 0 | 0 | 112 | Q18 F19 L20 E25 T26 | Q18-H22 VanDerWaalsContact CD-CE1 3.45Å; Q18-H22 PolarHBondContact NE2-CE1 3.49Å; Q18-H22 PolarHBondContact NE2-ND1 2.98Å; Q18-H22 PolarHBondContact NE2-NE2 2.96Å; Q18-H22 PolarHBondContact O-N 2.86Å; Q18-H22 PolarHBondContact O-ND1 3.18Å; F19-H22 CarbonylContact O-C 3.58Å; F19-H22 WeakPolarHBondContact O-CB 3.41Å; F19-H22 PolarHBondContact O-N 3.33Å; F19-H22 VanDerWaalsContact O-N 3.13Å; L20-H22 VanDerWaalsContact C-N 3.34Å; L20-H22 PolarHBondContact O-N 2.92Å; H22-E25 PolarHBondContact O-N 2.84Å; H22-T26 WeakPolarHBondContact O-CG2 3.2Å; H22-T26 PolarHBondContact O-N 3.4Å |
| 23 | L | 74.4 | Confident | 73 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 174.2 | -68.2 | -173.9 | 0 | 0 | 0 | 113.1 | F19 L20 L21 E25 T26 I27 F33 L53 I57 L60 | F19-L23 HydrophobicContact CD1-CD1 3.78Å; F19-L23 HydrophobicContact CD1-CG 4.21Å; F19-L23 HydrophobicContact CE1-CD1 3.45Å; F19-L23 VanDerWaalsContact CE1-CD1 3.45Å; F19-L23 HydrophobicContact CE1-CD2 4.41Å; F19-L23 HydrophobicContact CE1-CG 4.03Å; F19-L23 HydrophobicContact CZ-CD1 4.06Å; F19-L23 HydrophobicContact CZ-CD2 4.2Å; F19-L23 HydrophobicContact CZ-CG 4.27Å; F19-L23 WeakPolarHBondContact O-CG 3.45Å; F19-L23 PolarHBondContact O-N 2.59Å; L20-L23 CarbonylContact O-C 3.6Å; L20-L23 PolarHBondContact O-N 3.49Å; L21-L23 VanDerWaalsContact C-N 3.32Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-T26 HydrophobicContact CD2-CG2 4.26Å; L23-T26 WeakPolarHBondContact O-CG2 3.24Å; L23-I27 PolarHBondContact O-N 3.36Å; L23-F33 HydrophobicContact CB-CE1 3.96Å; L23-F33 HydrophobicContact CB-CZ 3.97Å; L23-L53 HydrophobicContact CD1-CD1 4.38Å; L23-I57 HydrophobicContact CD1-CD1 4.15Å; L23-I57 HydrophobicContact CD1-CG1 3.49Å; L23-I57 VanDerWaalsContact CD1-CG1 3.49Å; L23-L60 HydrophobicContact CD2-CD1 3.18Å; L23-L60 HydrophobicContact CG-CD1 4.48Å |
| 24 | D | 74 | Confident | 72.7 | Confident | 16 Ų | 16 | 67 Ų | 67 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 173.6 | -165.4 | -99.8 | 0 | 0 | 0 | 109.8 | L20 L21 I27 K32 F33 I34 | L20-D24 WeakPolarHBondContact O-CB 3.2Å; L20-D24 PolarHBondContact O-N 3.28Å; L21-D24 PolarHBondContact O-N 3.49Å; D24-I27 PolarHBondContact O-N 2.73Å; D24-K32 WeakPolarHBondContact OD1-CD 3.21Å; D24-K32 WeakPolarHBondContact OD1-CG 3.36Å; D24-K32 WeakPolarHBondContact OD2-CA 3.49Å; D24-K32 VanDerWaalsContact OD2-CB 3.28Å; D24-K32 WeakPolarHBondContact OD2-CB 3.33Å; D24-F33 HydrophobicContact CB-CE1 3.92Å; D24-F33 HydrophobicContact CB-CZ 4.14Å; D24-F33 PolarHBondContact OD2-N 2.79Å; D24-F33 VanDerWaalsContact OD2-N 3.1Å; D24-I34 HydrophobicContact CB-CD1 4.19Å |
| 25 | E | 73.5 | Confident | 72.5 | Confident | 159 Ų | 159 | 66.7 Ų | 66.7 | 74% | 0.743 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -71.2 | -37.8 | 178.8 | -169.7 | 171.8 | 101.8 | 0 | 0 | 113.5 | L21 H22 L23 I27 | L21-E25 WeakPolarHBondContact O-CB 3.42Å; L21-E25 PolarHBondContact O-N 3.3Å; H22-E25 PolarHBondContact O-N 2.84Å; L23-E25 VanDerWaalsContact C-N 3.33Å; E25-I27 PolarHBondContact O-N 3.13Å; E25-I27 VanDerWaalsContact O-N 3.12Å |
| 26 | T | 67 | Low | 72.5 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 58% | 0.577 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -3.3 | 174.6 | -168.8 | 0 | 0 | 0 | 0 | 112.7 | H22 L23 A28 | H22-T26 WeakPolarHBondContact O-CG2 3.2Å; H22-T26 PolarHBondContact O-N 3.4Å; L23-T26 HydrophobicContact CD2-CG2 4.26Å; L23-T26 WeakPolarHBondContact O-CG2 3.24Å; T26-A28 HydrophobicContact CG2-CB 3.9Å; T26-A28 PolarHBondContact O-N 3.33Å; T26-A28 VanDerWaalsContact O-N 3.09Å |
| 27 | I | 60.4 | Low | 72.7 | Confident | 105 Ų | 105 | 71 Ų | 71 | 54% | 0.538 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 43.4 | 180 | -50.1 | 172.1 | 0 | 0 | 0 | 109.7 | L23 D24 E25 L29 G30 | L23-I27 PolarHBondContact O-N 3.36Å; D24-I27 PolarHBondContact O-N 2.73Å; E25-I27 PolarHBondContact O-N 3.13Å; E25-I27 VanDerWaalsContact O-N 3.12Å; I27-L29 PolarHBondContact O-N 3.21Å; I27-G30 VanDerWaalsContact CG2-C 3.44Å; I27-G30 PolarHBondContact O-N 3.36Å |
| 28 | A | 57.4 | Low | 72.8 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -15.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T26 K56 | T26-A28 HydrophobicContact CG2-CB 3.9Å; T26-A28 PolarHBondContact O-N 3.33Å; T26-A28 VanDerWaalsContact O-N 3.09Å; A28-K56 HydrophobicContact CB-CD 4.31Å |
| 29 | L | 56.1 | Low | 72.7 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 18% | 0.178 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -2.3 | -177.6 | -66.2 | 171.9 | 0 | 0 | 0 | 114.5 | I27 F31 F33 T52 L53 K56 | I27-L29 PolarHBondContact O-N 3.21Å; L29-F31 HydrophobicContact CB-CD1 4.27Å; L29-F31 HydrophobicContact CB-CE1 3.9Å; L29-F31 HydrophobicContact CB-CE2 4.1Å; L29-F31 HydrophobicContact CB-CZ 3.82Å; L29-F31 HydrophobicContact CD1-CE2 4.24Å; L29-F31 HydrophobicContact CD1-CZ 4.25Å; L29-F31 HydrophobicContact CG-CZ 4.49Å; L29-F31 WeakPolarHBondContact O-CD1 3.33Å; L29-F31 WeakPolarHBondContact O-CE1 3.42Å; L29-F31 PolarHBondContact O-N 2.79Å; L29-F33 HydrophobicContact CD1-CD1 4.21Å; L29-T52 HydrophobicContact CD2-CG2 3.19Å; L29-L53 HydrophobicContact CD1-CB 4.46Å; L29-K56 HydrophobicContact CD2-CG 3.66Å; L29-K56 HydrophobicContact CG-CG 4.26Å |
| 30 | G | 60 | Low | 72.6 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 79.9 | -8.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I27 | I27-G30 VanDerWaalsContact CG2-C 3.44Å; I27-G30 PolarHBondContact O-N 3.36Å |
| 31 | F | 66.7 | Low | 72.9 | Confident | 89 Ų | 89 | 78.3 Ų | 78.3 | 39% | 0.39 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -148.6 | 154.8 | -178.9 | 57.2 | -95.6 | 0 | 0 | 0 | 111.6 | L29 F33 S49 | L29-F31 HydrophobicContact CB-CD1 4.27Å; L29-F31 HydrophobicContact CB-CE1 3.9Å; L29-F31 HydrophobicContact CB-CE2 4.1Å; L29-F31 HydrophobicContact CB-CZ 3.82Å; L29-F31 HydrophobicContact CD1-CE2 4.24Å; L29-F31 HydrophobicContact CD1-CZ 4.25Å; L29-F31 HydrophobicContact CG-CZ 4.49Å; L29-F31 WeakPolarHBondContact O-CD1 3.33Å; L29-F31 WeakPolarHBondContact O-CE1 3.42Å; L29-F31 PolarHBondContact O-N 2.79Å; F31-F33 HydrophobicContact CE2-CB 4.48Å; F31-F33 PolarHBondContact O-N 3.49Å; F31-S49 WeakPolarHBondContact CE2-OG 3.38Å |
| 32 | K | 70.9 | Confident | 73.2 | Confident | 158 Ų | 158 | 77.3 Ų | 77.3 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | trans | -70.6 | 126.3 | 172.3 | -63.2 | -165 | 170.7 | -165.9 | 0 | 110.2 | D24 | D24-K32 WeakPolarHBondContact OD1-CD 3.21Å; D24-K32 WeakPolarHBondContact OD1-CG 3.36Å; D24-K32 WeakPolarHBondContact OD2-CA 3.49Å; D24-K32 VanDerWaalsContact OD2-CB 3.28Å; D24-K32 WeakPolarHBondContact OD2-CB 3.33Å | ||
| 33 | F | 77.6 | Confident | 73.6 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.009 | 39% | 0.386 | C | S | . | . | trans | -96 | -20.3 | 178.4 | 59.1 | -94.8 | 0 | 0 | 0 | 111.9 | L20 L23 D24 L29 F31 L35 I45 S46 L53 | L20-F33 HydrophobicContact CB-CE2 4.04Å; L20-F33 HydrophobicContact CB-CZ 4.09Å; L20-F33 HydrophobicContact CD2-CE2 3.81Å; L20-F33 HydrophobicContact CD2-CZ 3.99Å; L20-F33 HydrophobicContact CG-CE2 4.39Å; L20-F33 WeakPolarHBondContact O-CZ 3.07Å; L23-F33 HydrophobicContact CB-CE1 3.96Å; L23-F33 HydrophobicContact CB-CZ 3.97Å; D24-F33 HydrophobicContact CB-CE1 3.92Å; D24-F33 HydrophobicContact CB-CZ 4.14Å; D24-F33 PolarHBondContact OD2-N 2.79Å; D24-F33 VanDerWaalsContact OD2-N 3.1Å; L29-F33 HydrophobicContact CD1-CD1 4.21Å; F31-F33 HydrophobicContact CE2-CB 4.48Å; F31-F33 PolarHBondContact O-N 3.49Å; F33-L35 PolarHBondContact O-N 3.38Å; F33-I45 HydrophobicContact CD2-CB 4.5Å; F33-I45 HydrophobicContact CD2-CG2 3.97Å; F33-I45 WeakPolarHBondContact O-CA 3.5Å; F33-I45 VanDerWaalsContact O-CB 3.28Å; F33-I45 WeakPolarHBondContact O-CB 3.41Å; F33-S46 PolarHBondContact O-N 3.1Å; F33-L53 HydrophobicContact CD1-CD1 3.71Å; F33-L53 HydrophobicContact CD2-CD1 3.74Å; F33-L53 HydrophobicContact CD2-CD2 4.19Å; F33-L53 HydrophobicContact CE1-CD1 3.42Å; F33-L53 VanDerWaalsContact CE1-CD1 3.42Å; F33-L53 HydrophobicContact CE2-CD1 3.49Å; F33-L53 VanDerWaalsContact CE2-CD1 3.49Å; F33-L53 HydrophobicContact CE2-CD2 4.1Å; F33-L53 HydrophobicContact CE2-CG 4.43Å; F33-L53 HydrophobicContact CG-CD1 3.84Å; F33-L53 HydrophobicContact CZ-CD1 3.3Å | ||
| 34 | I | 79.6 | Confident | 74 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 107.5 | 174.5 | -53.2 | 178 | 0 | 0 | 0 | 108.6 | L20 L21 D24 I45 | L20-I34 HydrophobicContact CB-CD1 4.24Å; L21-I34 HydrophobicContact CD2-CD1 3.98Å; L21-I34 HydrophobicContact CG-CD1 4.32Å; D24-I34 HydrophobicContact CB-CD1 4.19Å; I34-I45 HydrophobicContact CG1-CG2 4.46Å |
| 35 | L | 79.4 | Confident | 74.4 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 37% | 0.372 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -44.6 | 174.2 | -72.4 | 174.1 | 0 | 0 | 0 | 110.9 | T5 F33 F44 S46 | T5-L35 HydrophobicContact CG2-CD1 3.75Å; T5-L35 HydrophobicContact CG2-CD2 4.33Å; F33-L35 PolarHBondContact O-N 3.38Å; L35-F44 WeakPolarHBondContact CA-O 3.17Å; L35-F44 HydrophobicContact CB-CD1 3.81Å; L35-F44 WeakPolarHBondContact CB-O 3.39Å; L35-F44 HydrophobicContact CD1-CD1 3.71Å; L35-F44 HydrophobicContact CD1-CE1 3.73Å; L35-F44 HydrophobicContact CG-CD1 4.44Å; L35-F44 PolarHBondContact N-O 2.86Å; L35-S46 WeakPolarHBondContact CD1-OG 3.35Å; L35-S46 WeakPolarHBondContact CD2-OG 3.45Å; L35-S46 WeakPolarHBondContact CG-OG 3.18Å |
| 36 | K | 80 | Confident | 74.8 | Confident | 130 Ų | 130 | 67 Ų | 67 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 132.3 | -177.9 | -167.7 | 164.4 | -175.3 | 177.9 | 0 | 111.5 | L38 F44 | K36-L38 HydrophobicContact CD-CD2 4.45Å; K36-F44 HydrophobicContact CB-CB 4.15Å; K36-F44 PolarHBondContact N-O 3.19Å; K36-F44 VanDerWaalsContact N-O 3.12Å; K36-F44 WeakPolarHBondContact O-CA 3.39Å; K36-F44 WeakPolarHBondContact O-CB 3.28Å; K36-F44 PolarHBondContact O-N 2.93Å |
| 37 | D | 80.2 | Confident | 75.3 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.4 | 162.8 | 62.1 | -63.2 | 0 | 0 | 0 | 109.4 | ||
| 38 | L | 80.5 | Confident | 76 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | trans | -98.3 | -43.4 | 174.4 | -67 | 174.4 | 0 | 0 | 0 | 109.8 | L9 K36 H42 | L9-L38 HydrophobicContact CD1-CD1 3.48Å; L9-L38 VanDerWaalsContact CD1-CD1 3.48Å; K36-L38 HydrophobicContact CD-CD2 4.45Å; L38-H42 HydrophobicContact CB-CB 4.03Å; L38-H42 PolarHBondContact N-O 2.79Å | ||
| 39 | D | 78.9 | Confident | 76.8 | Confident | 101 Ų | 101 | 65 Ų | 65 | 54% | 0.54 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -153.1 | 179.6 | -179.8 | -73.7 | -83.7 | 0 | 0 | 0 | 110.8 | K17 T41 H42 | K17-D39 PolarHBondContact NZ-O 3.18Å; D39-T41 PolarHBondContact O-N 3.34Å; D39-H42 HydrophobicContact CB-CB 4.21Å; D39-H42 PolarHBondContact N-O 3.2Å; D39-H42 VanDerWaalsContact N-O 3.12Å; D39-H42 PolarHBondContact O-N 2.87Å |
| 40 | D | 77.4 | Confident | 77.8 | Confident | 105 Ų | 105 | 65.5 Ų | 65.5 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -62.4 | -21.6 | 173.3 | -80.6 | -57.4 | 0 | 0 | 0 | 114.4 | K17 | K17-D40 WeakPolarHBondContact CD-O 3.12Å; K17-D40 IonicContact NZ-OD1 2.93Å; K17-D40 PolarHBondContact NZ-OD1 3.48Å |
| 41 | T | 83.3 | Confident | 78.6 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 37% | 0.368 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -112.2 | -2.1 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | T11 C12 D39 | T11-T41 CarbonylContact C-O 3.4Å; T11-T41 WeakPolarHBondContact CA-O 3.35Å; C12-T41 PolarHBondContact N-O 3.38Å; C12-T41 CarbonylContact O-C 3.59Å; C12-T41 WeakPolarHBondContact O-CA 3.37Å; C12-T41 WeakPolarHBondContact O-CB 3.14Å; C12-T41 VanDerWaalsContact O-O 3.11Å; D39-T41 PolarHBondContact O-N 3.34Å |
| 42 | H | 84.1 | Confident | 79.1 | Confident | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.296 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 116.2 | -173.3 | -66.3 | 66.6 | 0 | 0 | 0 | 110.1 | L38 D39 | L38-H42 HydrophobicContact CB-CB 4.03Å; L38-H42 PolarHBondContact N-O 2.79Å; D39-H42 HydrophobicContact CB-CB 4.21Å; D39-H42 PolarHBondContact N-O 3.2Å; D39-H42 VanDerWaalsContact N-O 3.12Å; D39-H42 PolarHBondContact O-N 2.87Å |
| 43 | V | 83.4 | Confident | 79.4 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.6 | 175.7 | -63 | 0 | 0 | 0 | 0 | 110.3 | V10 K17 L20 I45 | V10-V43 HydrophobicContact CB-CG2 4.02Å; V10-V43 PolarHBondContact N-O 2.76Å; V10-V43 PolarHBondContact O-N 2.75Å; K17-V43 HydrophobicContact CD-CG1 4.47Å; K17-V43 HydrophobicContact CG-CG1 4.17Å; L20-V43 HydrophobicContact CD1-CG2 3.81Å; V43-I45 HydrophobicContact CG2-CG2 4.35Å |
| 44 | F | 83.6 | Confident | 79.3 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120.6 | 177.1 | -161.2 | -114 | 0 | 0 | 0 | 108.8 | T5 G7 L9 L35 K36 | T5-F44 WeakPolarHBondContact O-CE1 3.26Å; T5-F44 VanDerWaalsContact O-CZ 3.32Å; T5-F44 WeakPolarHBondContact O-CZ 3.47Å; G7-F44 VanDerWaalsContact CA-CZ 3.43Å; L9-F44 HydrophobicContact CB-CD2 4.11Å; L9-F44 HydrophobicContact CB-CE2 4.47Å; L35-F44 WeakPolarHBondContact CA-O 3.17Å; L35-F44 HydrophobicContact CB-CD1 3.81Å; L35-F44 WeakPolarHBondContact CB-O 3.39Å; L35-F44 HydrophobicContact CD1-CD1 3.71Å; L35-F44 HydrophobicContact CD1-CE1 3.73Å; L35-F44 HydrophobicContact CG-CD1 4.44Å; L35-F44 PolarHBondContact N-O 2.86Å; K36-F44 HydrophobicContact CB-CB 4.15Å; K36-F44 PolarHBondContact N-O 3.19Å; K36-F44 VanDerWaalsContact N-O 3.12Å; K36-F44 WeakPolarHBondContact O-CA 3.39Å; K36-F44 WeakPolarHBondContact O-CB 3.28Å; K36-F44 PolarHBondContact O-N 2.93Å |
| 45 | I | 83.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 155.7 | -178.4 | 68.2 | 172.3 | 0 | 0 | 0 | 111 | G7 V8 V10 F33 I34 V43 V50 L53 | G7-I45 CarbonylContact C-O 3.59Å; G7-I45 VanDerWaalsContact CA-O 3.26Å; G7-I45 WeakPolarHBondContact CA-O 3.33Å; V8-I45 HydrophobicContact CB-CG1 4.37Å; V8-I45 PolarHBondContact N-O 3.5Å; V8-I45 PolarHBondContact O-N 3.1Å; V10-I45 HydrophobicContact CG2-CD1 3.54Å; V10-I45 HydrophobicContact CG2-CG1 3.74Å; F33-I45 HydrophobicContact CD2-CB 4.5Å; F33-I45 HydrophobicContact CD2-CG2 3.97Å; F33-I45 WeakPolarHBondContact O-CA 3.5Å; F33-I45 VanDerWaalsContact O-CB 3.28Å; F33-I45 WeakPolarHBondContact O-CB 3.41Å; I34-I45 HydrophobicContact CG1-CG2 4.46Å; V43-I45 HydrophobicContact CG2-CG2 4.35Å; I45-V50 HydrophobicContact CD1-CB 4.2Å; I45-V50 HydrophobicContact CD1-CG2 3.4Å; I45-V50 VanDerWaalsContact CD1-CG2 3.4Å; I45-V50 HydrophobicContact CG1-CG2 3.63Å; I45-L53 HydrophobicContact CD1-CD2 3.94Å |
| 46 | S | 81.5 | Confident | 79 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 21% | 0.21 | 36% | 0.364 | C | S | . | . | trans | -68.2 | 132.2 | 175.7 | -73.4 | 0 | 0 | 0 | 0 | 110.6 | F33 L35 D48 S49 V50 | F33-S46 PolarHBondContact O-N 3.1Å; L35-S46 WeakPolarHBondContact CD1-OG 3.35Å; L35-S46 WeakPolarHBondContact CD2-OG 3.45Å; L35-S46 WeakPolarHBondContact CG-OG 3.18Å; S46-D48 PolarHBondContact O-N 2.93Å; S46-S49 WeakPolarHBondContact CB-OG 3.31Å; S46-S49 WeakPolarHBondContact O-CA 3.21Å; S46-S49 WeakPolarHBondContact O-CB 3.35Å; S46-S49 PolarHBondContact O-N 3.42Å; S46-V50 WeakPolarHBondContact O-CG2 3.48Å; S46-V50 PolarHBondContact O-N 3.39Å; S46-V50 VanDerWaalsContact O-N 3.12Å | ||
| 47 | A | 77.4 | Confident | 78.7 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.9 | -36.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V8 S49 V50 | V8-A47 HydrophobicContact CG2-CB 3.81Å; A47-S49 VanDerWaalsContact C-N 3.29Å; A47-S49 PolarHBondContact O-N 3.3Å; A47-V50 WeakPolarHBondContact O-CB 3.4Å; A47-V50 PolarHBondContact O-N 3.06Å |
| 48 | D | 75.6 | Confident | 78.6 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.3 | -37.9 | 176.6 | -162.5 | -100.4 | 0 | 0 | 0 | 111.8 | S46 | S46-D48 PolarHBondContact O-N 2.93Å |
| 49 | S | 73.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -78.3 | -23.2 | -179.8 | -45 | 0 | 0 | 0 | 0 | 113 | F31 S46 A47 N51 T52 L53 | F31-S49 WeakPolarHBondContact CE2-OG 3.38Å; S46-S49 WeakPolarHBondContact CB-OG 3.31Å; S46-S49 WeakPolarHBondContact O-CA 3.21Å; S46-S49 WeakPolarHBondContact O-CB 3.35Å; S46-S49 PolarHBondContact O-N 3.42Å; A47-S49 VanDerWaalsContact C-N 3.29Å; A47-S49 PolarHBondContact O-N 3.3Å; S49-N51 VanDerWaalsContact C-N 3.31Å; S49-N51 PolarHBondContact O-N 2.91Å; S49-T52 PolarHBondContact O-N 3.04Å; S49-L53 WeakPolarHBondContact O-CA 3.28Å; S49-L53 WeakPolarHBondContact O-CB 3.22Å; S49-L53 PolarHBondContact O-N 2.99Å |
| 50 | V | 76.2 | Confident | 78.3 | Confident | 44 Ų | 44 | 59 Ų | 59 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | 179.6 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | V8 I45 S46 A47 L53 S54 | V8-V50 HydrophobicContact CB-CG2 3.69Å; V8-V50 HydrophobicContact CG1-CG2 4.18Å; V8-V50 HydrophobicContact CG2-CG2 3.78Å; I45-V50 HydrophobicContact CD1-CB 4.2Å; I45-V50 HydrophobicContact CD1-CG2 3.4Å; I45-V50 VanDerWaalsContact CD1-CG2 3.4Å; I45-V50 HydrophobicContact CG1-CG2 3.63Å; S46-V50 WeakPolarHBondContact O-CG2 3.48Å; S46-V50 PolarHBondContact O-N 3.39Å; S46-V50 VanDerWaalsContact O-N 3.12Å; A47-V50 WeakPolarHBondContact O-CB 3.4Å; A47-V50 PolarHBondContact O-N 3.06Å; V50-L53 PolarHBondContact O-N 3.47Å; V50-S54 VanDerWaalsContact O-CB 3.31Å; V50-S54 WeakPolarHBondContact O-CB 3.05Å; V50-S54 PolarHBondContact O-N 2.83Å |
| 51 | N | 78.1 | Confident | 77.8 | Confident | 110 Ų | 110 | 59.5 Ų | 59.5 | 59% | 0.588 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.9 | -46 | -177 | -170 | 57 | 0 | 0 | 0 | 110.9 | S49 S54 Q55 | S49-N51 VanDerWaalsContact C-N 3.31Å; S49-N51 PolarHBondContact O-N 2.91Å; N51-S54 PolarHBondContact O-N 3.39Å; N51-Q55 PolarHBondContact O-N 3.4Å; N51-Q55 VanDerWaalsContact O-N 3.1Å |
| 52 | T | 76.8 | Confident | 77.5 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.8 | -37 | 179.5 | -30.8 | 0 | 0 | 0 | 0 | 111.9 | L29 S49 Q55 K56 | L29-T52 HydrophobicContact CD2-CG2 3.19Å; S49-T52 PolarHBondContact O-N 3.04Å; T52-Q55 PolarHBondContact O-N 3.1Å; T52-K56 WeakPolarHBondContact O-CB 3.49Å; T52-K56 WeakPolarHBondContact O-CG 3.36Å; T52-K56 PolarHBondContact O-N 3.42Å |
| 53 | L | 76.2 | Confident | 76.7 | Confident | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 172.9 | -177.1 | 85 | 0 | 0 | 0 | 110.1 | L20 L23 L29 F33 I45 S49 V50 Q55 K56 I57 | L20-L53 HydrophobicContact CD2-CD1 4.11Å; L20-L53 HydrophobicContact CD2-CD2 3.75Å; L20-L53 HydrophobicContact CD2-CG 4.36Å; L23-L53 HydrophobicContact CD1-CD1 4.38Å; L29-L53 HydrophobicContact CD1-CB 4.46Å; F33-L53 HydrophobicContact CD1-CD1 3.71Å; F33-L53 HydrophobicContact CD2-CD1 3.74Å; F33-L53 HydrophobicContact CD2-CD2 4.19Å; F33-L53 HydrophobicContact CE1-CD1 3.42Å; F33-L53 VanDerWaalsContact CE1-CD1 3.42Å; F33-L53 HydrophobicContact CE2-CD1 3.49Å; F33-L53 VanDerWaalsContact CE2-CD1 3.49Å; F33-L53 HydrophobicContact CE2-CD2 4.1Å; F33-L53 HydrophobicContact CE2-CG 4.43Å; F33-L53 HydrophobicContact CG-CD1 3.84Å; F33-L53 HydrophobicContact CZ-CD1 3.3Å; I45-L53 HydrophobicContact CD1-CD2 3.94Å; S49-L53 WeakPolarHBondContact O-CA 3.28Å; S49-L53 WeakPolarHBondContact O-CB 3.22Å; S49-L53 PolarHBondContact O-N 2.99Å; V50-L53 PolarHBondContact O-N 3.47Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 3.41Å; L53-K56 PolarHBondContact O-N 3.12Å; L53-I57 HydrophobicContact CD1-CD1 4.19Å; L53-I57 HydrophobicContact CD1-CG1 4.48Å; L53-I57 HydrophobicContact CD2-CD1 3.86Å; L53-I57 HydrophobicContact CG-CD1 3.6Å; L53-I57 HydrophobicContact CG-CG1 4.16Å; L53-I57 WeakPolarHBondContact O-CB 3.39Å; L53-I57 WeakPolarHBondContact O-CG1 3.39Å; L53-I57 PolarHBondContact O-N 2.8Å |
| 54 | S | 75.3 | Confident | 75.7 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 178 | -165 | 0 | 0 | 0 | 0 | 111.1 | V50 N51 D58 | V50-S54 VanDerWaalsContact O-CB 3.31Å; V50-S54 WeakPolarHBondContact O-CB 3.05Å; V50-S54 PolarHBondContact O-N 2.83Å; N51-S54 PolarHBondContact O-N 3.39Å; S54-D58 WeakPolarHBondContact O-CB 3.42Å; S54-D58 PolarHBondContact O-N 3.46Å |
| 55 | Q | 80.2 | Confident | 74.6 | Confident | 123 Ų | 123 | 71.3 Ų | 71.3 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 175.9 | -71.8 | -166.9 | -14 | 0 | 0 | 113.2 | N51 T52 L53 D58 T59 | N51-Q55 PolarHBondContact O-N 3.4Å; N51-Q55 VanDerWaalsContact O-N 3.1Å; T52-Q55 PolarHBondContact O-N 3.1Å; L53-Q55 VanDerWaalsContact C-N 3.32Å; L53-Q55 PolarHBondContact O-N 3.41Å; Q55-D58 PolarHBondContact O-N 2.76Å; Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 PolarHBondContact O-N 3.39Å; Q55-T59 PolarHBondContact O-OG1 3.36Å |
| 56 | K | 73.9 | Confident | 73.2 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 33% | 0.33 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 177.3 | -82.1 | -71.6 | 101.4 | -177.9 | 0 | 111.8 | A28 L29 T52 L53 D58 T59 L60 | A28-K56 HydrophobicContact CB-CD 4.31Å; L29-K56 HydrophobicContact CD2-CG 3.66Å; L29-K56 HydrophobicContact CG-CG 4.26Å; T52-K56 WeakPolarHBondContact O-CB 3.49Å; T52-K56 WeakPolarHBondContact O-CG 3.36Å; T52-K56 PolarHBondContact O-N 3.42Å; L53-K56 PolarHBondContact O-N 3.12Å; K56-D58 VanDerWaalsContact C-N 3.32Å; K56-T59 PolarHBondContact O-N 3.35Å; K56-L60 VanDerWaalsContact O-CB 3.24Å; K56-L60 WeakPolarHBondContact O-CB 3.04Å; K56-L60 WeakPolarHBondContact O-CG 3.43Å; K56-L60 PolarHBondContact O-N 3.25Å |
| 57 | I | 73.8 | Confident | 71.9 | Confident | 22 Ų | 22 | 80.5 Ų | 80.5 | 11% | 0.113 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 174.8 | -71 | 171.2 | 0 | 0 | 0 | 109.1 | M16 F19 L20 L23 L53 T59 L60 M61 | M16-I57 HydrophobicContact CE-CD1 3.82Å; F19-I57 HydrophobicContact CE1-CG1 4.15Å; F19-I57 HydrophobicContact CE1-CG2 4.2Å; L20-I57 HydrophobicContact CD2-CD1 3.99Å; L23-I57 HydrophobicContact CD1-CD1 4.15Å; L23-I57 HydrophobicContact CD1-CG1 3.49Å; L23-I57 VanDerWaalsContact CD1-CG1 3.49Å; L53-I57 HydrophobicContact CD1-CD1 4.19Å; L53-I57 HydrophobicContact CD1-CG1 4.48Å; L53-I57 HydrophobicContact CD2-CD1 3.86Å; L53-I57 HydrophobicContact CG-CD1 3.6Å; L53-I57 HydrophobicContact CG-CG1 4.16Å; L53-I57 WeakPolarHBondContact O-CB 3.39Å; L53-I57 WeakPolarHBondContact O-CG1 3.39Å; L53-I57 PolarHBondContact O-N 2.8Å; I57-T59 PolarHBondContact O-N 3.12Å; I57-L60 CarbonylContact O-C 3.48Å; I57-L60 PolarHBondContact O-N 2.96Å; I57-M61 HydrophobicContact CG2-CG 4.21Å; I57-M61 HydrophobicContact CG2-SD 4.13Å; I57-M61 WeakPolarHBondContact O-CB 3.4Å; I57-M61 WeakPolarHBondContact O-CG 3.36Å; I57-M61 PolarHBondContact O-N 3.28Å |
| 58 | D | 78 | Confident | 70.8 | Confident | 110 Ų | 110 | 85.7 Ų | 85.7 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.7 | -47.9 | 177.7 | -162.6 | -101.8 | 0 | 0 | 0 | 111.5 | S54 Q55 K56 L60 M61 E62 | S54-D58 WeakPolarHBondContact O-CB 3.42Å; S54-D58 PolarHBondContact O-N 3.46Å; Q55-D58 PolarHBondContact O-N 2.76Å; K56-D58 VanDerWaalsContact C-N 3.32Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.2Å; D58-M61 PolarHBondContact O-N 3.47Å; D58-E62 WeakPolarHBondContact O-CB 3.3Å; D58-E62 PolarHBondContact O-N 3.23Å |
| 59 | T | 79.2 | Confident | 69.5 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 36% | 0.356 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 175.3 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | Q55 K56 I57 E62 S63 | Q55-T59 WeakPolarHBondContact O-CB 3.49Å; Q55-T59 PolarHBondContact O-N 3.39Å; Q55-T59 PolarHBondContact O-OG1 3.36Å; K56-T59 PolarHBondContact O-N 3.35Å; I57-T59 PolarHBondContact O-N 3.12Å; T59-E62 PolarHBondContact O-N 3.12Å; T59-S63 VanDerWaalsContact O-CB 3.31Å; T59-S63 WeakPolarHBondContact O-CB 3.16Å; T59-S63 PolarHBondContact O-N 2.96Å; T59-S63 PolarHBondContact O-OG 2.88Å |
| 60 | L | 73.3 | Confident | 67.9 | Low | 50 Ų | 50 | 92.3 Ų | 92.3 | 26% | 0.262 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.3 | -37 | -179.3 | -76 | 170.9 | 0 | 0 | 0 | 111.5 | L23 K56 I57 D58 E62 S63 L64 | L23-L60 HydrophobicContact CD2-CD1 3.18Å; L23-L60 HydrophobicContact CG-CD1 4.48Å; K56-L60 VanDerWaalsContact O-CB 3.24Å; K56-L60 WeakPolarHBondContact O-CB 3.04Å; K56-L60 WeakPolarHBondContact O-CG 3.43Å; K56-L60 PolarHBondContact O-N 3.25Å; I57-L60 CarbonylContact O-C 3.48Å; I57-L60 PolarHBondContact O-N 2.96Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.2Å; L60-E62 VanDerWaalsContact C-N 3.3Å; L60-S63 CarbonylContact O-C 3.49Å; L60-S63 PolarHBondContact O-N 3.36Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 WeakPolarHBondContact O-CD1 3.49Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 2.74Å |
| 61 | M | 67.6 | Low | 66.2 | Low | 116 Ų | 116 | 103.5 Ų | 103.5 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.7 | -44.6 | 170.5 | -75.5 | -170.6 | 79.5 | 0 | 0 | 109.6 | I57 D58 S63 L64 S65 | I57-M61 HydrophobicContact CG2-CG 4.21Å; I57-M61 HydrophobicContact CG2-SD 4.13Å; I57-M61 WeakPolarHBondContact O-CB 3.4Å; I57-M61 WeakPolarHBondContact O-CG 3.36Å; I57-M61 PolarHBondContact O-N 3.28Å; D58-M61 PolarHBondContact O-N 3.47Å; M61-S63 PolarHBondContact O-N 2.95Å; M61-L64 PolarHBondContact O-N 2.91Å; M61-S65 WeakPolarHBondContact O-CB 3.32Å; M61-S65 PolarHBondContact O-N 2.78Å; M61-S65 VanDerWaalsContact O-N 3.07Å; M61-S65 PolarHBondContact O-OG 3.44Å |
| 62 | E | 75.3 | Confident | 65.6 | Low | 147 Ų | 147 | 103.2 Ų | 103.2 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.3 | -41.5 | 174.8 | -169.5 | 167.5 | 84.4 | 0 | 0 | 112 | D58 T59 L60 L64 S65 | D58-E62 WeakPolarHBondContact O-CB 3.3Å; D58-E62 PolarHBondContact O-N 3.23Å; T59-E62 PolarHBondContact O-N 3.12Å; L60-E62 VanDerWaalsContact C-N 3.3Å; E62-L64 PolarHBondContact O-N 2.83Å; E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 3.35Å |
| 63 | S | 68.4 | Low | 65 | Low | 72 Ų | 72 | 105.9 Ų | 105.9 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.8 | -23.2 | 179 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | T59 L60 M61 P66 | T59-S63 VanDerWaalsContact O-CB 3.31Å; T59-S63 WeakPolarHBondContact O-CB 3.16Å; T59-S63 PolarHBondContact O-N 2.96Å; T59-S63 PolarHBondContact O-OG 2.88Å; L60-S63 CarbonylContact O-C 3.49Å; L60-S63 PolarHBondContact O-N 3.36Å; M61-S63 PolarHBondContact O-N 2.95Å; S63-P66 WeakPolarHBondContact O-CD 3.21Å; S63-P66 WeakPolarHBondContact O-CG 3.26Å |
| 64 | L | 62.9 | Low | 64.4 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 60% | 0.597 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -84.8 | -14.8 | 172.6 | -73.1 | 163 | 0 | 0 | 0 | 111.6 | F19 L60 M61 E62 | F19-L64 HydrophobicContact CE2-CD1 4.29Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 WeakPolarHBondContact O-CD1 3.49Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 2.74Å; M61-L64 PolarHBondContact O-N 2.91Å; E62-L64 PolarHBondContact O-N 2.83Å |
| 65 | S | 59.2 | Low | 63.7 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 59% | 0.587 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -80.2 | -7.6 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 117.6 | M61 E62 D67 | M61-S65 WeakPolarHBondContact O-CB 3.32Å; M61-S65 PolarHBondContact O-N 2.78Å; M61-S65 VanDerWaalsContact O-N 3.07Å; M61-S65 PolarHBondContact O-OG 3.44Å; E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 3.35Å; S65-D67 PolarHBondContact O-N 3.35Å |
| 66 | P | 54.6 | Low | 62.7 | Low | 83 Ų | 83 | 112.4 Ų | 112.4 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -84.3 | -2.7 | -177.2 | 31.6 | -29.9 | 0 | 0 | 0 | 115.5 | S63 | S63-P66 WeakPolarHBondContact O-CD 3.21Å; S63-P66 WeakPolarHBondContact O-CG 3.26Å |
| 67 | D | 53.6 | Low | 62 | Low | 142 Ų | 142 | 114.9 Ų | 114.9 | 76% | 0.759 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -105.1 | 9 | -171.9 | -77.3 | -81.8 | 0 | 0 | 0 | 116.4 | S65 | S65-D67 PolarHBondContact O-N 3.35Š|
| 68 | I | 54.2 | Low | 61.1 | Low | 167 Ų | 167 | 121.5 Ų | 121.5 | 86% | 0.856 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -116 | 2.3 | 177.1 | -77.4 | 139.8 | 0 | 0 | 0 | 113.8 | ||
| 69 | A | 48.5 | Very low | 59.8 | Low | 90 Ų | 90 | 122.4 Ų | 122.4 | 74% | 0.744 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -106.8 | -1.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 70 | E | 41.5 | Very low | 58.2 | Low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | trans | -133.8 | 79.6 | 177.3 | -82 | -174.4 | 70.6 | 0 | 0 | 112.6 | ||||
| 71 | K | 39.4 | Very low | 56.8 | Low | 279 Ų | 279 | 134.8 Ų | 134.8 | 100% | 1.213 | 72% | 0.722 | S | S | * | * | trans | -164 | 0 | 136.9 | -142.6 | 171.5 | 170.7 | -175.3 | 0 | 113.5 |
Retrieved 71 of 71 residues in 166.8 ms
(Link to these results)