| 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 | 54.5 | Low | 57.3 | Low | 216 Ų | 216 | 107.9 Ų | 107.9 | 100% | 1.064 | 64% | 0.643 | S | S | * | * | 0 | -47.9 | 0 | -66.8 | 170.9 | 127.4 | 0 | 0 | 112.9 | K3 Q4 A5 | M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.16Å; M1-Q4 PolarHBondContact O-N 2.9Å; M1-Q4 VanDerWaalsContact O-N 3.13Å; M1-A5 PolarHBondContact O-N 2.99Å | |||
| 2 | M | 56.4 | Low | 57.6 | Low | 176 Ų | 176 | 101.8 Ų | 101.8 | 87% | 0.867 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57 | -36.2 | -177.2 | -54 | 179.6 | -152.7 | 0 | 0 | 115 | Q4 A5 A6 | M2-Q4 VanDerWaalsContact C-N 3.31Å; M2-Q4 PolarHBondContact O-N 2.8Å; M2-A5 PolarHBondContact O-N 2.99Å; M2-A6 PolarHBondContact O-N 3.28Å; M2-A6 VanDerWaalsContact O-N 3.12Å |
| 3 | K | 47.2 | Very low | 57.8 | Low | 188 Ų | 188 | 98.9 Ų | 98.9 | 82% | 0.817 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -31.5 | 179.3 | -62.7 | -176.6 | 178.5 | -178.1 | 0 | 113.5 | M1 A7 | M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.16Å; K3-A7 WeakPolarHBondContact O-CB 3.06Å; K3-A7 PolarHBondContact O-N 3.49Å; K3-A7 VanDerWaalsContact O-N 3.15Å |
| 4 | Q | 53.5 | Low | 57.7 | Low | 160 Ų | 160 | 100.5 Ų | 100.5 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -80.6 | -36.9 | 180 | -71.8 | -160.6 | -28.9 | 0 | 0 | 112.2 | M1 M2 A6 A7 A8 | M1-Q4 PolarHBondContact O-N 2.9Å; M1-Q4 VanDerWaalsContact O-N 3.13Å; M2-Q4 VanDerWaalsContact C-N 3.31Å; M2-Q4 PolarHBondContact O-N 2.8Å; Q4-A6 VanDerWaalsContact C-N 3.34Å; Q4-A7 PolarHBondContact O-N 2.97Å; Q4-A8 WeakPolarHBondContact O-CB 3.22Å; Q4-A8 PolarHBondContact O-N 2.93Å |
| 5 | A | 55.6 | Low | 57.6 | Low | 64 Ų | 64 | 97.5 Ų | 97.5 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 M2 A8 A9 | M1-A5 PolarHBondContact O-N 2.99Å; M2-A5 PolarHBondContact O-N 2.99Å; A5-A8 PolarHBondContact O-N 3.16Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 2.74Å |
| 6 | A | 55.1 | Low | 57.5 | Low | 56 Ų | 56 | 98.1 Ų | 98.1 | 46% | 0.463 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.7 | -43.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M2 Q4 A9 V10 | M2-A6 PolarHBondContact O-N 3.28Å; M2-A6 VanDerWaalsContact O-N 3.12Å; Q4-A6 VanDerWaalsContact C-N 3.34Å; A6-A9 PolarHBondContact O-N 3.27Å; A6-V10 VanDerWaalsContact O-CG2 3.28Å; A6-V10 WeakPolarHBondContact O-CG2 3.12Å; A6-V10 PolarHBondContact O-N 2.78Å |
| 7 | A | 57.2 | Low | 57.7 | Low | 64 Ų | 64 | 94.9 Ų | 94.9 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.2 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K3 Q4 G11 | K3-A7 WeakPolarHBondContact O-CB 3.06Å; K3-A7 PolarHBondContact O-N 3.49Å; K3-A7 VanDerWaalsContact O-N 3.15Å; Q4-A7 PolarHBondContact O-N 2.97Å; A7-G11 PolarHBondContact O-N 3.21Å |
| 8 | A | 61.6 | Low | 57.7 | Low | 68 Ų | 68 | 92.3 Ų | 92.3 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.4 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q4 A5 G12 | Q4-A8 WeakPolarHBondContact O-CB 3.22Å; Q4-A8 PolarHBondContact O-N 2.93Å; A5-A8 PolarHBondContact O-N 3.16Å; A8-G12 PolarHBondContact O-N 3.33Å |
| 9 | A | 58.9 | Low | 57.5 | Low | 65 Ų | 65 | 92.4 Ų | 92.4 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A5 A6 A13 | A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 2.74Å; A6-A9 PolarHBondContact O-N 3.27Å; A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.91Å |
| 10 | V | 66.2 | Low | 57.5 | Low | 90 Ų | 90 | 91.2 Ų | 91.2 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67 | -45.5 | 175.6 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | A6 G12 A13 L14 | A6-V10 VanDerWaalsContact O-CG2 3.28Å; A6-V10 WeakPolarHBondContact O-CG2 3.12Å; A6-V10 PolarHBondContact O-N 2.78Å; V10-G12 PolarHBondContact O-N 2.87Å; V10-A13 PolarHBondContact O-N 3.01Å; V10-L14 HydrophobicContact CG1-CD1 4.14Å; V10-L14 VanDerWaalsContact O-CG 3.28Å; V10-L14 WeakPolarHBondContact O-CG 3.25Å; V10-L14 PolarHBondContact O-N 3.44Å |
| 11 | G | 64.4 | Low | 57.6 | Low | 40 Ų | 40 | 91.6 Ų | 91.6 | 41% | 0.412 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.1 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A7 L14 A15 | A7-G11 PolarHBondContact O-N 3.21Å; G11-L14 PolarHBondContact O-N 3.01Å; G11-A15 WeakPolarHBondContact O-CB 3.47Å; G11-A15 PolarHBondContact O-N 3.3Å |
| 12 | G | 60.8 | Low | 57.8 | Low | 34 Ų | 34 | 85.9 Ų | 85.9 | 35% | 0.351 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A8 V10 L14 A15 V16 | A8-G12 PolarHBondContact O-N 3.33Å; V10-G12 PolarHBondContact O-N 2.87Å; G12-L14 VanDerWaalsContact C-N 3.34Å; G12-L14 PolarHBondContact O-N 2.88Å; G12-A15 PolarHBondContact O-N 3.41Å; G12-V16 VanDerWaalsContact O-CG2 3.31Å; G12-V16 WeakPolarHBondContact O-CG2 3.17Å; G12-V16 PolarHBondContact O-N 2.68Å |
| 13 | A | 60.3 | Low | 58 | Low | 65 Ų | 65 | 81.6 Ų | 81.6 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A9 V10 G17 | A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.36Å; A9-A13 PolarHBondContact O-N 2.91Å; V10-A13 PolarHBondContact O-N 3.01Å; A13-G17 PolarHBondContact O-N 2.83Å |
| 14 | L | 56 | Low | 58.4 | Low | 121 Ų | 121 | 75.3 Ų | 75.3 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.7 | -38.8 | 175.7 | -67.8 | 175.1 | 0 | 0 | 0 | 112.1 | V10 G11 G12 G17 A18 | V10-L14 HydrophobicContact CG1-CD1 4.14Å; V10-L14 VanDerWaalsContact O-CG 3.28Å; V10-L14 WeakPolarHBondContact O-CG 3.25Å; V10-L14 PolarHBondContact O-N 3.44Å; G11-L14 PolarHBondContact O-N 3.01Å; G12-L14 VanDerWaalsContact C-N 3.34Å; G12-L14 PolarHBondContact O-N 2.88Å; L14-G17 PolarHBondContact O-N 3.21Å; L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 2.97Å |
| 15 | A | 56 | Low | 58.5 | Low | 55 Ų | 55 | 72 Ų | 72 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G11 G12 G17 A18 V19 | G11-A15 WeakPolarHBondContact O-CB 3.47Å; G11-A15 PolarHBondContact O-N 3.3Å; G12-A15 PolarHBondContact O-N 3.41Å; A15-G17 VanDerWaalsContact C-N 3.3Å; A15-G17 PolarHBondContact O-N 3.39Å; A15-A18 PolarHBondContact O-N 3Å; A15-V19 VanDerWaalsContact O-CG2 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 2.94Å |
| 16 | V | 56.4 | Low | 58.4 | Low | 108 Ų | 108 | 75.9 Ų | 75.9 | 66% | 0.655 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | G12 P20 | G12-V16 VanDerWaalsContact O-CG2 3.31Å; G12-V16 WeakPolarHBondContact O-CG2 3.17Å; G12-V16 PolarHBondContact O-N 2.68Å; V16-P20 WeakPolarHBondContact O-CD 3.4Å |
| 17 | G | 60.2 | Low | 58.3 | Low | 44 Ų | 44 | 73.7 Ų | 73.7 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.2 | -29.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A13 L14 A15 P20 V21 | A13-G17 PolarHBondContact O-N 2.83Å; L14-G17 PolarHBondContact O-N 3.21Å; A15-G17 VanDerWaalsContact C-N 3.3Å; A15-G17 PolarHBondContact O-N 3.39Å; G17-P20 WeakPolarHBondContact O-CD 3.39Å; G17-V21 WeakPolarHBondContact O-CG2 3.26Å |
| 18 | A | 57.9 | Low | 58 | Low | 48 Ų | 48 | 74.6 Ų | 74.6 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77 | -31.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L14 A15 V21 V22 | L14-A18 WeakPolarHBondContact O-CB 3.5Å; L14-A18 PolarHBondContact O-N 2.97Å; A15-A18 PolarHBondContact O-N 3Å; A18-V21 PolarHBondContact O-N 2.96Å; A18-V21 VanDerWaalsContact O-N 3.11Å; A18-V22 WeakPolarHBondContact O-CG2 3.43Å; A18-V22 PolarHBondContact O-N 2.88Å |
| 19 | V | 54.5 | Low | 57.5 | Low | 94 Ų | 94 | 74.6 Ų | 74.6 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.7 | -48.9 | -179.1 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | A15 V21 V22 L23 | A15-V19 VanDerWaalsContact O-CG2 3.31Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 2.94Å; V19-V21 VanDerWaalsContact C-N 3.28Å; V19-V21 PolarHBondContact O-N 3.39Å; V19-V22 PolarHBondContact O-N 2.8Å; V19-L23 WeakPolarHBondContact O-CB 3.24Å; V19-L23 PolarHBondContact O-N 3.29Å |
| 20 | P | 57.3 | Low | 56.9 | Low | 68 Ų | 68 | 75.8 Ų | 75.8 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -33.1 | 173.8 | -24.7 | 33.1 | 0 | 0 | 0 | 113.8 | V16 G17 S24 | V16-P20 WeakPolarHBondContact O-CD 3.4Å; G17-P20 WeakPolarHBondContact O-CD 3.39Å; P20-S24 WeakPolarHBondContact O-CB 3.36Å; P20-S24 PolarHBondContact O-N 2.91Å; P20-S24 PolarHBondContact O-OG 3.06Å |
| 21 | V | 60.2 | Low | 55.9 | Low | 99 Ų | 99 | 76.3 Ų | 76.3 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.7 | -45.2 | -178.2 | 177.5 | 0 | 0 | 0 | 0 | 111 | G17 A18 V19 L23 S24 A25 | G17-V21 WeakPolarHBondContact O-CG2 3.26Å; A18-V21 PolarHBondContact O-N 2.96Å; A18-V21 VanDerWaalsContact O-N 3.11Å; V19-V21 VanDerWaalsContact C-N 3.28Å; V19-V21 PolarHBondContact O-N 3.39Å; V21-L23 VanDerWaalsContact C-N 3.33Å; V21-S24 PolarHBondContact O-N 2.87Å; V21-A25 WeakPolarHBondContact O-CB 3.41Å; V21-A25 PolarHBondContact O-N 3.09Å |
| 22 | V | 58.7 | Low | 55.3 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 58% | 0.582 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -40 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | A18 V19 A25 M26 | A18-V22 WeakPolarHBondContact O-CG2 3.43Å; A18-V22 PolarHBondContact O-N 2.88Å; V19-V22 PolarHBondContact O-N 2.8Å; V22-A25 PolarHBondContact O-N 3.26Å; V22-M26 WeakPolarHBondContact O-CG 3.39Å; V22-M26 PolarHBondContact O-N 3.5Å |
| 23 | L | 59.1 | Low | 54.7 | Low | 87 Ų | 87 | 77.8 Ų | 77.8 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.5 | -35.3 | 178.2 | -171 | 62.5 | 0 | 0 | 0 | 112.2 | V19 V21 M26 G27 F28 | V19-L23 WeakPolarHBondContact O-CB 3.24Å; V19-L23 PolarHBondContact O-N 3.29Å; V21-L23 VanDerWaalsContact C-N 3.33Å; L23-M26 CarbonylContact O-C 3.6Å; L23-M26 PolarHBondContact O-N 2.92Å; L23-G27 PolarHBondContact O-N 3.33Å; L23-F28 CarbonylContact C-O 3.58Å; L23-F28 HydrophobicContact CD1-CB 3.94Å; L23-F28 HydrophobicContact CD2-CB 4.44Å; L23-F28 HydrophobicContact CG-CB 3.76Å; L23-F28 PolarHBondContact O-N 2.99Å |
| 24 | S | 56.9 | Low | 54 | Low | 56 Ų | 56 | 77 Ų | 77 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 171.3 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | P20 V21 M26 G27 F28 | P20-S24 WeakPolarHBondContact O-CB 3.36Å; P20-S24 PolarHBondContact O-N 2.91Å; P20-S24 PolarHBondContact O-OG 3.06Å; V21-S24 PolarHBondContact O-N 2.87Å; S24-M26 VanDerWaalsContact C-N 3.27Å; S24-M26 PolarHBondContact O-N 3.29Å; S24-G27 WeakPolarHBondContact O-CA 3.38Å; S24-G27 PolarHBondContact O-N 2.91Å; S24-F28 WeakPolarHBondContact CA-O 3.36Å |
| 25 | A | 56 | Low | 53.4 | Low | 90 Ų | 90 | 76 Ų | 76 | 74% | 0.744 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.8 | -30.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V21 V22 G27 | V21-A25 WeakPolarHBondContact O-CB 3.41Å; V21-A25 PolarHBondContact O-N 3.09Å; V22-A25 PolarHBondContact O-N 3.26Å; A25-G27 PolarHBondContact O-N 3.48Å |
| 26 | M | 52.9 | Low | 52.9 | Low | 145 Ų | 145 | 78.8 Ų | 78.8 | 71% | 0.714 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 0.7 | 171.5 | -73.5 | -77.5 | -77.6 | 0 | 0 | 113.4 | V22 L23 S24 | V22-M26 WeakPolarHBondContact O-CG 3.39Å; V22-M26 PolarHBondContact O-N 3.5Å; L23-M26 CarbonylContact O-C 3.6Å; L23-M26 PolarHBondContact O-N 2.92Å; S24-M26 VanDerWaalsContact C-N 3.27Å; S24-M26 PolarHBondContact O-N 3.29Å |
| 27 | G | 52.1 | Low | 52.3 | Low | 10 Ų | 10 | 75.7 Ų | 75.7 | 10% | 0.103 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 10.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L23 S24 A25 I33 A34 | L23-G27 PolarHBondContact O-N 3.33Å; S24-G27 WeakPolarHBondContact O-CA 3.38Å; S24-G27 PolarHBondContact O-N 2.91Å; A25-G27 PolarHBondContact O-N 3.48Å; G27-I33 CarbonylContact O-C 3.52Å; G27-I33 VanDerWaalsContact O-CA 3.25Å; G27-I33 WeakPolarHBondContact O-CA 3.09Å; G27-A34 PolarHBondContact O-N 3.11Å |
| 28 | F | 51.1 | Low | 51.4 | Low | 83 Ų | 83 | 80.6 Ų | 80.6 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 87.9 | 171.2 | -133 | -80.6 | 0 | 0 | 0 | 108.6 | L23 S24 I33 L59 | L23-F28 CarbonylContact C-O 3.58Å; L23-F28 HydrophobicContact CD1-CB 3.94Å; L23-F28 HydrophobicContact CD2-CB 4.44Å; L23-F28 HydrophobicContact CG-CB 3.76Å; L23-F28 PolarHBondContact O-N 2.99Å; S24-F28 WeakPolarHBondContact CA-O 3.36Å; F28-I33 HydrophobicContact CB-CD1 4.36Å; F28-I33 HydrophobicContact CD2-CD1 3.07Å; F28-I33 HydrophobicContact CD2-CG1 3.74Å; F28-I33 HydrophobicContact CE2-CD1 3.43Å; F28-I33 VanDerWaalsContact CE2-CD1 3.43Å; F28-I33 HydrophobicContact CE2-CG1 3.64Å; F28-I33 HydrophobicContact CG-CD1 3.89Å; F28-I33 HydrophobicContact CG-CG1 4.44Å; F28-I33 HydrophobicContact CZ-CD1 4.49Å; F28-I33 HydrophobicContact CZ-CG1 4.33Å; F28-L59 HydrophobicContact CE1-CD2 3.56Å; F28-L59 HydrophobicContact CZ-CD2 3.85Å |
| 29 | T | 52.2 | Low | 50.8 | Low | 68 Ų | 68 | 81 Ų | 81 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 158.8 | 174.4 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | A31 G32 | T29-A31 PolarHBondContact O-N 2.91Å; T29-G32 WeakPolarHBondContact CG2-O 3.28Å; T29-G32 PolarHBondContact N-O 3.49Å; T29-G32 VanDerWaalsContact N-O 3.16Å; T29-G32 CarbonylContact O-C 3.58Å; T29-G32 PolarHBondContact O-N 3.36Å; T29-G32 VanDerWaalsContact O-O 3.14Å |
| 30 | G | 46.3 | Very low | 50.2 | Low | 90 Ų | 90 | 78.3 Ų | 78.3 | 93% | 0.928 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -7.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 31 | A | 44.6 | Very low | 49.4 | Very low | 102 Ų | 102 | 83.5 Ų | 83.5 | 84% | 0.843 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -3.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T29 | T29-A31 PolarHBondContact O-N 2.91Š|
| 32 | G | 52.2 | Low | 48.7 | Very low | 27 Ų | 27 | 86.3 Ų | 86.3 | 28% | 0.278 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 126.6 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T29 A34 | T29-G32 WeakPolarHBondContact CG2-O 3.28Å; T29-G32 PolarHBondContact N-O 3.49Å; T29-G32 VanDerWaalsContact N-O 3.16Å; T29-G32 CarbonylContact O-C 3.58Å; T29-G32 PolarHBondContact O-N 3.36Å; T29-G32 VanDerWaalsContact O-O 3.14Å; G32-A34 PolarHBondContact O-N 3.34Å |
| 33 | I | 47.8 | Very low | 48 | Very low | 77 Ų | 77 | 87.8 Ų | 87.8 | 40% | 0.395 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -56.5 | 121.5 | 170.4 | -71.6 | -77.1 | 0 | 0 | 0 | 108.2 | G27 F28 A35 | G27-I33 CarbonylContact O-C 3.52Å; G27-I33 VanDerWaalsContact O-CA 3.25Å; G27-I33 WeakPolarHBondContact O-CA 3.09Å; F28-I33 HydrophobicContact CB-CD1 4.36Å; F28-I33 HydrophobicContact CD2-CD1 3.07Å; F28-I33 HydrophobicContact CD2-CG1 3.74Å; F28-I33 HydrophobicContact CE2-CD1 3.43Å; F28-I33 VanDerWaalsContact CE2-CD1 3.43Å; F28-I33 HydrophobicContact CE2-CG1 3.64Å; F28-I33 HydrophobicContact CG-CD1 3.89Å; F28-I33 HydrophobicContact CG-CG1 4.44Å; F28-I33 HydrophobicContact CZ-CD1 4.49Å; F28-I33 HydrophobicContact CZ-CG1 4.33Å; I33-A35 PolarHBondContact O-N 2.94Å |
| 34 | A | 45.2 | Very low | 47 | Very low | 50 Ų | 50 | 87 Ų | 87 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | trans | -55.5 | 114.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | G27 G32 S36 S37 | G27-A34 PolarHBondContact O-N 3.11Å; G32-A34 PolarHBondContact O-N 3.34Å; A34-S36 PolarHBondContact O-N 2.96Å; A34-S37 PolarHBondContact O-N 3.4Å | ||
| 35 | A | 42.8 | Very low | 46.2 | Very low | 100 Ų | 100 | 88.2 Ų | 88.2 | 83% | 0.826 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 111.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | I33 | I33-A35 PolarHBondContact O-N 2.94Š|
| 36 | S | 46 | Very low | 45.7 | Very low | 113 Ų | 113 | 86.8 Ų | 86.8 | 79% | 0.79 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.2 | 30.5 | -174.9 | -161.9 | 0 | 0 | 0 | 0 | 117.8 | A34 | A34-S36 PolarHBondContact O-N 2.96Š|
| 37 | S | 44 | Very low | 45.3 | Very low | 42 Ų | 42 | 82.6 Ų | 82.6 | 29% | 0.294 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -90.2 | 166.4 | 159.7 | -165.3 | 0 | 0 | 0 | 0 | 111.7 | A34 A39 A40 | A34-S37 PolarHBondContact O-N 3.4Å; S37-A39 PolarHBondContact O-N 3.22Å; S37-A40 WeakPolarHBondContact O-CA 3.36Å; S37-A40 VanDerWaalsContact O-CB 3.22Å; S37-A40 WeakPolarHBondContact O-CB 3.47Å; S37-A40 PolarHBondContact O-N 3.25Å |
| 38 | I | 42.4 | Very low | 45 | Very low | 147 Ų | 147 | 89 Ų | 89 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -54.9 | -20.3 | -175.5 | -78.2 | 164.8 | 0 | 0 | 0 | 113.8 | K41 | I38-K41 PolarHBondContact O-N 3.42Å |
| 39 | A | 44.3 | Very low | 44.6 | Very low | 57 Ų | 57 | 89.1 Ų | 89.1 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.2 | -31.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114 | S37 K41 M42 M43 | S37-A39 PolarHBondContact O-N 3.22Å; A39-K41 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.45Å; A39-M42 PolarHBondContact O-N 3.48Å; A39-M43 WeakPolarHBondContact O-CB 2.97Å; A39-M43 PolarHBondContact O-N 3.01Å |
| 40 | A | 42 | Very low | 44.3 | Very low | 37 Ų | 37 | 92.8 Ų | 92.8 | 31% | 0.306 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -29.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S37 S44 | S37-A40 WeakPolarHBondContact O-CA 3.36Å; S37-A40 VanDerWaalsContact O-CB 3.22Å; S37-A40 WeakPolarHBondContact O-CB 3.47Å; S37-A40 PolarHBondContact O-N 3.25Å; A40-S44 WeakPolarHBondContact O-CA 3.29Å; A40-S44 WeakPolarHBondContact O-CB 3.31Å; A40-S44 PolarHBondContact O-N 3Å |
| 41 | K | 40.9 | Very low | 44.3 | Very low | 178 Ų | 178 | 91.6 Ų | 91.6 | 77% | 0.774 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -77.9 | -21.9 | 175.1 | -79 | 177.5 | 69.1 | -157.9 | 0 | 113.7 | I38 A39 | I38-K41 PolarHBondContact O-N 3.42Å; A39-K41 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.45Å |
| 42 | M | 45.6 | Very low | 44.8 | Very low | 157 Ų | 157 | 90.9 Ų | 90.9 | 77% | 0.773 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -87.6 | -26.9 | 170.2 | -81.7 | -94.2 | 98.6 | 0 | 0 | 112.4 | A39 | A39-M42 PolarHBondContact O-N 3.48Å |
| 43 | M | 43.6 | Very low | 44.7 | Very low | 128 Ų | 128 | 93 Ų | 93 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -87.5 | -20 | 173.9 | -165.7 | 169.6 | -178.9 | 0 | 0 | 113.4 | A39 A45 A46 A47 | A39-M43 WeakPolarHBondContact O-CB 2.97Å; A39-M43 PolarHBondContact O-N 3.01Å; M43-A45 PolarHBondContact O-N 2.94Å; M43-A46 PolarHBondContact O-N 2.96Å; M43-A47 WeakPolarHBondContact O-CB 3.28Å; M43-A47 PolarHBondContact O-N 3.46Å |
| 44 | S | 38.3 | Very low | 44.9 | Very low | 71 Ų | 71 | 95.8 Ų | 95.8 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -17.9 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 113.4 | A40 | A40-S44 WeakPolarHBondContact O-CA 3.29Å; A40-S44 WeakPolarHBondContact O-CB 3.31Å; A40-S44 PolarHBondContact O-N 3Å |
| 45 | A | 41 | Very low | 45 | Very low | 81 Ų | 81 | 97.5 Ų | 97.5 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -26.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M43 | M43-A45 PolarHBondContact O-N 2.94Š|
| 46 | A | 43.8 | Very low | 45.2 | Very low | 60 Ų | 60 | 98.2 Ų | 98.2 | 50% | 0.496 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -25.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M43 | M43-A46 PolarHBondContact O-N 2.96Š|
| 47 | A | 45.3 | Very low | 45.4 | Very low | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -84.1 | -24 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M43 A49 | M43-A47 WeakPolarHBondContact O-CB 3.28Å; M43-A47 PolarHBondContact O-N 3.46Å; A47-A49 VanDerWaalsContact C-N 3.33Å |
| 48 | I | 45.1 | Very low | 45.7 | Very low | 146 Ų | 146 | 96 Ų | 96 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75.2 | -24.2 | 177.4 | -62.4 | -168.9 | 0 | 0 | 0 | 111.8 | ||
| 49 | A | 44 | Very low | 46.1 | Very low | 85 Ų | 85 | 93.6 Ų | 93.6 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -85 | -18.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A47 | A47-A49 VanDerWaalsContact C-N 3.33Š|
| 50 | N | 45.7 | Very low | 46.3 | Very low | 145 Ų | 145 | 95.8 Ų | 95.8 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -121.7 | 18.4 | -169.3 | -97.4 | -42.3 | 0 | 0 | 0 | 115.7 | ||
| 51 | G | 45.8 | Very low | 46.7 | Very low | 65 Ų | 65 | 96.8 Ų | 96.8 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | trans | 50.1 | 86.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 52 | G | 54 | Low | 47.3 | Very low | 86 Ų | 86 | 93.3 Ų | 93.3 | 89% | 0.887 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 48.4 | 97.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 53 | G | 50.5 | Low | 47.7 | Very low | 72 Ų | 72 | 91.7 Ų | 91.7 | 74% | 0.742 | 64% | 0.639 | S | S | * | * | trans | 160.9 | 134.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S55 | G53-S55 PolarHBondContact O-N 3.12Å; G53-S55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | V | 51.9 | Low | 48.4 | Very low | 135 Ų | 135 | 92.6 Ų | 92.6 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | trans | -50.1 | 118.6 | 176.5 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | A56 | V54-A56 PolarHBondContact O-N 3.28Š| ||
| 55 | S | 48.8 | Very low | 48.9 | Very low | 86 Ų | 86 | 93.1 Ų | 93.1 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | trans | -65.6 | 123.8 | 179.5 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | G53 G57 S58 | G53-S55 PolarHBondContact O-N 3.12Å; G53-S55 VanDerWaalsContact O-N 3.16Å; S55-G57 PolarHBondContact O-N 3.02Å; S55-S58 PolarHBondContact O-N 2.85Å | ||
| 56 | A | 46.8 | Very low | 49.5 | Very low | 115 Ų | 115 | 93.3 Ų | 93.3 | 95% | 0.95 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 102.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108 | V54 | V54-A56 PolarHBondContact O-N 3.28Š|
| 57 | G | 49.4 | Very low | 50 | Low | 62 Ų | 62 | 93.5 Ų | 93.5 | 64% | 0.639 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.3 | -3.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 114 | S55 | S55-G57 PolarHBondContact O-N 3.02Š|
| 58 | S | 51.4 | Low | 50.2 | Low | 48 Ų | 48 | 95.5 Ų | 95.5 | 34% | 0.336 | 66% | 0.662 | S | S | . | * | trans | -59.2 | 142.4 | 178.1 | -169.9 | 0 | 0 | 0 | 0 | 113.2 | S55 V60 A61 | S55-S58 PolarHBondContact O-N 2.85Å; S58-V60 PolarHBondContact O-N 3.46Å; S58-A61 PolarHBondContact O-N 2.96Å | ||
| 59 | L | 49.7 | Very low | 50.4 | Low | 96 Ų | 96 | 92.3 Ų | 92.3 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -33.6 | -30.6 | 177.5 | -178.5 | 64.8 | 0 | 0 | 0 | 116.3 | F28 I62 L63 | F28-L59 HydrophobicContact CE1-CD2 3.56Å; F28-L59 HydrophobicContact CZ-CD2 3.85Å; L59-I62 PolarHBondContact O-N 3.36Å; L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 PolarHBondContact O-N 3.37Å |
| 60 | V | 49 | Very low | 50.6 | Low | 103 Ų | 103 | 89 Ų | 89 | 62% | 0.624 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -37.6 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | S58 L63 Q64 | S58-V60 PolarHBondContact O-N 3.46Å; V60-L63 PolarHBondContact O-N 2.91Å; V60-Q64 PolarHBondContact O-N 2.81Å |
| 61 | A | 50 | Low | 51 | Low | 58 Ų | 58 | 89 Ų | 89 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.6 | -35.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S58 S65 | S58-A61 PolarHBondContact O-N 2.96Å; A61-S65 VanDerWaalsContact O-CB 3.24Å; A61-S65 WeakPolarHBondContact O-CB 2.93Å; A61-S65 PolarHBondContact O-N 3.33Å |
| 62 | I | 53.7 | Low | 51.3 | Low | 104 Ų | 104 | 90.4 Ų | 90.4 | 53% | 0.533 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.9 | -41.2 | 174.3 | -56.4 | -58.6 | 0 | 0 | 0 | 110.3 | L59 S65 V66 | L59-I62 PolarHBondContact O-N 3.36Å; I62-S65 PolarHBondContact O-N 3.15Å; I62-V66 HydrophobicContact CG2-CG2 4.4Å; I62-V66 WeakPolarHBondContact O-CB 3.31Å; I62-V66 VanDerWaalsContact O-CG2 3.26Å; I62-V66 WeakPolarHBondContact O-CG2 3.47Å; I62-V66 PolarHBondContact O-N 3.39Å |
| 63 | L | 53.7 | Low | 51.1 | Low | 124 Ų | 124 | 91.3 Ų | 91.3 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.1 | -32.4 | 179.9 | -158.3 | 63.6 | 0 | 0 | 0 | 112.6 | L59 V60 G67 | L59-L63 WeakPolarHBondContact O-CB 3.32Å; L59-L63 PolarHBondContact O-N 3.37Å; V60-L63 PolarHBondContact O-N 2.91Å; L63-G67 PolarHBondContact O-N 2.88Å |
| 64 | Q | 58.8 | Low | 51.1 | Low | 147 Ų | 147 | 90.6 Ų | 90.6 | 69% | 0.687 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.3 | -38.4 | 168.2 | -85.9 | -161.3 | -35.7 | 0 | 0 | 112.8 | V60 G67 A68 | V60-Q64 PolarHBondContact O-N 2.81Å; Q64-G67 PolarHBondContact O-N 2.93Å; Q64-A68 PolarHBondContact O-N 2.88Å |
| 65 | S | 49.4 | Very low | 51.1 | Low | 81 Ų | 81 | 86.7 Ų | 86.7 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -42 | 177.1 | -177 | 0 | 0 | 0 | 0 | 111.6 | A61 I62 A69 | A61-S65 VanDerWaalsContact O-CB 3.24Å; A61-S65 WeakPolarHBondContact O-CB 2.93Å; A61-S65 PolarHBondContact O-N 3.33Å; I62-S65 PolarHBondContact O-N 3.15Å; S65-A69 PolarHBondContact O-N 3.32Å |
| 66 | V | 53 | Low | 51.4 | Low | 86 Ų | 86 | 87.7 Ų | 87.7 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.4 | -34.5 | 173.8 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | I62 G70 | I62-V66 HydrophobicContact CG2-CG2 4.4Å; I62-V66 WeakPolarHBondContact O-CB 3.31Å; I62-V66 VanDerWaalsContact O-CG2 3.26Å; I62-V66 WeakPolarHBondContact O-CG2 3.47Å; I62-V66 PolarHBondContact O-N 3.39Å; V66-G70 WeakPolarHBondContact O-CA 3.49Å; V66-G70 PolarHBondContact O-N 3.12Å; V66-G70 VanDerWaalsContact O-N 3.09Å |
| 67 | G | 53.8 | Low | 51.8 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 66% | 0.66 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.6 | -31.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L63 Q64 | L63-G67 PolarHBondContact O-N 2.88Å; Q64-G67 PolarHBondContact O-N 2.93Å |
| 68 | A | 49.5 | Very low | 52.3 | Low | 97 Ų | 97 | 89.4 Ų | 89.4 | 80% | 0.802 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -99.1 | -27 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q64 | Q64-A68 PolarHBondContact O-N 2.88Å |
| 69 | A | 49.9 | Very low | 52.7 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 66% | 0.661 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -112.4 | -14.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | S65 | S65-A69 PolarHBondContact O-N 3.32Å |
| 70 | G | 48.5 | Very low | 53.3 | Low | 16 Ų | 16 | 91.5 Ų | 91.5 | 17% | 0.165 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -98.2 | -6.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | V66 S74 S75 | V66-G70 WeakPolarHBondContact O-CA 3.49Å; V66-G70 PolarHBondContact O-N 3.12Å; V66-G70 VanDerWaalsContact O-N 3.09Å; G70-S74 PolarHBondContact O-OG 3.45Å; G70-S75 PolarHBondContact O-OG 3.45Å |
| 71 | L | 53.2 | Low | 53.9 | Low | 145 Ų | 145 | 90 Ų | 90 | 76% | 0.759 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -100.3 | -21.5 | -165.6 | -144.5 | 83.5 | 0 | 0 | 0 | 116.4 | ||
| 72 | S | 52.4 | Low | 54.6 | Low | 94 Ų | 94 | 91.8 Ų | 91.8 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -109.8 | -25.5 | -168.5 | -66.6 | 0 | 0 | 0 | 0 | 116.7 | N76 | S72-N76 PolarHBondContact O-ND2 3.38Å; S72-N76 VanDerWaalsContact O-ND2 3.12Å |
| 73 | T | 50.5 | Low | 55.2 | Low | 105 Ų | 105 | 88.7 Ų | 88.7 | 64% | 0.644 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -124.7 | -46.2 | -174.7 | -45.3 | 0 | 0 | 0 | 0 | 113 | I77 | T73-I77 PolarHBondContact O-N 3.13Š|
| 74 | S | 50.7 | Low | 55.6 | Low | 57 Ų | 57 | 86.7 Ų | 86.7 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.1 | -36.8 | 179.5 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | G70 N76 I77 L78 | G70-S74 PolarHBondContact O-OG 3.45Å; S74-N76 VanDerWaalsContact C-N 3.34Å; S74-N76 PolarHBondContact O-N 2.86Å; S74-I77 PolarHBondContact O-N 3.21Å; S74-L78 WeakPolarHBondContact O-CB 3.45Å; S74-L78 PolarHBondContact O-N 3.47Å |
| 75 | S | 51 | Low | 55.9 | Low | 52 Ų | 52 | 84.5 Ų | 84.5 | 36% | 0.364 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -36.3 | 176.4 | -83.2 | 0 | 0 | 0 | 0 | 112.4 | G70 L79 | G70-S75 PolarHBondContact O-OG 3.45Å; S75-L79 WeakPolarHBondContact O-CA 3.44Å; S75-L79 WeakPolarHBondContact O-CB 3.33Å; S75-L79 PolarHBondContact O-N 3.42Å |
| 76 | N | 54.2 | Low | 56.3 | Low | 107 Ų | 107 | 86.1 Ų | 86.1 | 57% | 0.572 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.9 | -38.7 | 176.8 | -78 | -40.7 | 0 | 0 | 0 | 111.9 | S72 S74 A80 | S72-N76 PolarHBondContact O-ND2 3.38Å; S72-N76 VanDerWaalsContact O-ND2 3.12Å; S74-N76 VanDerWaalsContact C-N 3.34Å; S74-N76 PolarHBondContact O-N 2.86Å; N76-A80 WeakPolarHBondContact O-CA 3.3Å; N76-A80 WeakPolarHBondContact O-CB 2.96Å; N76-A80 PolarHBondContact O-N 2.91Å |
| 77 | I | 57 | Low | 56.9 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.7 | -43.9 | 179.8 | -63.1 | 170.2 | 0 | 0 | 0 | 111.2 | T73 S74 A80 S81 | T73-I77 PolarHBondContact O-N 3.13Å; S74-I77 PolarHBondContact O-N 3.21Å; I77-A80 PolarHBondContact O-N 3.31Å; I77-S81 VanDerWaalsContact O-CB 3.25Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 2.79Å |
| 78 | L | 59.4 | Low | 57.1 | Low | 118 Ų | 118 | 84.3 Ų | 84.3 | 62% | 0.618 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.4 | -41.7 | 176.9 | -75.9 | 173.1 | 0 | 0 | 0 | 111.7 | S74 S81 V82 | S74-L78 WeakPolarHBondContact O-CB 3.45Å; S74-L78 PolarHBondContact O-N 3.47Å; L78-S81 PolarHBondContact O-N 2.81Å; L78-V82 WeakPolarHBondContact O-CB 3.47Å; L78-V82 WeakPolarHBondContact O-CG2 3.43Å; L78-V82 PolarHBondContact O-N 3.43Å |
| 79 | L | 58.8 | Low | 57.4 | Low | 126 Ų | 126 | 89.6 Ų | 89.6 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.9 | -35.2 | 175.3 | -170.5 | 60.7 | 0 | 0 | 0 | 111.7 | S75 G83 | S75-L79 WeakPolarHBondContact O-CA 3.44Å; S75-L79 WeakPolarHBondContact O-CB 3.33Å; S75-L79 PolarHBondContact O-N 3.42Å; L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.33Å; L79-G83 PolarHBondContact O-N 2.79Å |
| 80 | A | 62.7 | Low | 58 | Low | 61 Ų | 61 | 93.4 Ų | 93.4 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.1 | -37.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N76 I77 S84 | N76-A80 WeakPolarHBondContact O-CA 3.3Å; N76-A80 WeakPolarHBondContact O-CB 2.96Å; N76-A80 PolarHBondContact O-N 2.91Å; I77-A80 PolarHBondContact O-N 3.31Å; A80-S84 WeakPolarHBondContact O-CA 3.43Å; A80-S84 WeakPolarHBondContact O-CB 3.25Å; A80-S84 PolarHBondContact O-N 2.77Å |
| 81 | S | 61.6 | Low | 58.4 | Low | 71 Ų | 71 | 94.5 Ų | 94.5 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.6 | -48.1 | 179.8 | -163.1 | 0 | 0 | 0 | 0 | 111.5 | I77 L78 S84 V85 | I77-S81 VanDerWaalsContact O-CB 3.25Å; I77-S81 WeakPolarHBondContact O-CB 3.45Å; I77-S81 PolarHBondContact O-N 2.79Å; L78-S81 PolarHBondContact O-N 2.81Å; S81-S84 PolarHBondContact O-N 3.35Å; S81-V85 WeakPolarHBondContact O-CG2 3.29Å; S81-V85 PolarHBondContact O-N 3.44Å |
| 82 | V | 64.9 | Low | 58.4 | Low | 97 Ų | 97 | 97.5 Ų | 97.5 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.4 | -40.2 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L78 L86 | L78-V82 WeakPolarHBondContact O-CB 3.47Å; L78-V82 WeakPolarHBondContact O-CG2 3.43Å; L78-V82 PolarHBondContact O-N 3.43Å; V82-L86 VanDerWaalsContact O-CB 3.29Å; V82-L86 WeakPolarHBondContact O-CB 2.97Å; V82-L86 PolarHBondContact O-N 3Å |
| 83 | G | 66.4 | Low | 58.3 | Low | 38 Ų | 38 | 98.1 Ų | 98.1 | 39% | 0.392 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.7 | -33.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L79 G87 | L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.33Å; L79-G83 PolarHBondContact O-N 2.79Å; G83-G87 WeakPolarHBondContact O-CA 3.33Å; G83-G87 PolarHBondContact O-N 2.99Å |
| 84 | S | 62.4 | Low | 58.7 | Low | 82 Ų | 82 | 98.6 Ų | 98.6 | 57% | 0.573 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.6 | -45 | 175.7 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | A80 S81 G87 A88 | A80-S84 WeakPolarHBondContact O-CA 3.43Å; A80-S84 WeakPolarHBondContact O-CB 3.25Å; A80-S84 PolarHBondContact O-N 2.77Å; S81-S84 PolarHBondContact O-N 3.35Å; S84-G87 PolarHBondContact O-N 3.32Å; S84-A88 WeakPolarHBondContact O-CB 3.4Å; S84-A88 PolarHBondContact O-N 2.97Å |
| 85 | V | 63.8 | Low | 58.3 | Low | 101 Ų | 101 | 101 Ų | 101 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63 | -47.3 | 176.1 | 169 | 0 | 0 | 0 | 0 | 111 | S81 A88 Y89 | S81-V85 WeakPolarHBondContact O-CG2 3.29Å; S81-V85 PolarHBondContact O-N 3.44Å; V85-A88 PolarHBondContact O-N 2.79Å; V85-Y89 WeakPolarHBondContact O-CB 3.39Å; V85-Y89 PolarHBondContact O-N 2.98Å |
| 86 | L | 58 | Low | 57.7 | Low | 116 Ų | 116 | 103.9 Ų | 103.9 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.5 | -37.3 | -179.9 | -171.3 | 60.9 | 0 | 0 | 0 | 111.9 | V82 Y89 L90 | V82-L86 VanDerWaalsContact O-CB 3.29Å; V82-L86 WeakPolarHBondContact O-CB 2.97Å; V82-L86 PolarHBondContact O-N 3Å; L86-Y89 PolarHBondContact O-N 2.82Å; L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 PolarHBondContact O-N 3.47Å |
| 87 | G | 65.8 | Low | 57.2 | Low | 43 Ų | 43 | 107 Ų | 107 | 44% | 0.443 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.4 | -37 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G83 S84 G91 | G83-G87 WeakPolarHBondContact O-CA 3.33Å; G83-G87 PolarHBondContact O-N 2.99Å; S84-G87 PolarHBondContact O-N 3.32Å; G87-G91 VanDerWaalsContact O-CA 3.28Å; G87-G91 WeakPolarHBondContact O-CA 3.16Å; G87-G91 PolarHBondContact O-N 2.81Å |
| 88 | A | 58.8 | Low | 56.6 | Low | 68 Ų | 68 | 108 Ų | 108 | 56% | 0.562 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.9 | -32.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S84 V85 G91 | S84-A88 WeakPolarHBondContact O-CB 3.4Å; S84-A88 PolarHBondContact O-N 2.97Å; V85-A88 PolarHBondContact O-N 2.79Å; A88-G91 VanDerWaalsContact O-O 3.09Å |
| 89 | Y | 55.8 | Low | 55.8 | Low | 209 Ų | 209 | 106.1 Ų | 106.1 | 82% | 0.82 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.8 | -33.4 | 177.4 | -149.5 | -96.5 | 0 | 0 | 0 | 112.3 | V85 L86 | V85-Y89 WeakPolarHBondContact O-CB 3.39Å; V85-Y89 PolarHBondContact O-N 2.98Å; L86-Y89 PolarHBondContact O-N 2.82Å |
| 90 | L | 62.6 | Low | 55 | Low | 160 Ų | 160 | 107.6 Ų | 107.6 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -93 | -22.7 | 179.6 | -152.6 | 66.9 | 0 | 0 | 0 | 113.1 | L86 | L86-L90 WeakPolarHBondContact O-CB 3.28Å; L86-L90 PolarHBondContact O-N 3.47Å |
| 91 | G | 56.1 | Low | 54 | Low | 39 Ų | 39 | 110 Ų | 110 | 40% | 0.402 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -111.2 | 104.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G87 A88 S93 | G87-G91 VanDerWaalsContact O-CA 3.28Å; G87-G91 WeakPolarHBondContact O-CA 3.16Å; G87-G91 PolarHBondContact O-N 2.81Å; A88-G91 VanDerWaalsContact O-O 3.09Å; G91-S93 PolarHBondContact O-N 2.85Å |
| 92 | K | 53.6 | Low | 53 | Low | 208 Ų | 208 | 114.8 Ų | 114.8 | 90% | 0.904 | 68% | 0.683 | S | S | * | * | trans | -57.9 | 88.8 | 174.4 | -178.5 | 121 | 173 | 164.9 | 0 | 112.9 | ||||
| 93 | S | 50.8 | Low | 51.9 | Low | 107 Ų | 107 | 114.3 Ų | 114.3 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | 46.6 | 163 | 154.9 | -44.6 | 0 | 0 | 0 | 0 | 120.4 | G91 | G91-S93 PolarHBondContact O-N 2.85Š| ||
| 94 | P | 59.3 | Low | 50.5 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | cis | -139.9 | 179.9 | 6.1 | 39 | -17.7 | 0 | 0 | 0 | 116.7 | ||||
| 95 | S | 41.8 | Very low | 49 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | 95.3 | 123.5 | 150.7 | -53.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 96 | S | 37.6 | Very low | 47.7 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | 81.9 | 83.4 | 164 | -51.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 97 | L | 44.6 | Very low | 46.6 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | trans | -60.3 | 134.8 | 145.2 | -76.9 | 156.1 | 0 | 0 | 0 | 108.7 | ||||
| 98 | P | 42.9 | Very low | 45.2 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | -125.8 | 120.5 | 121.2 | 8.9 | 10.7 | 0 | 0 | 0 | 110.7 | |||||
| 99 | A | 43.7 | Very low | 44 | Very low | 79 Ų | 79 | 129 Ų | 129 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | -63.9 | 142.8 | 139.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 100 | E | 41.1 | Very low | 42.8 | Very low | 156 Ų | 156 | 127 Ų | 127 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | cis | -157.1 | 149.7 | 42.8 | -70.6 | 164.5 | 74.6 | 0 | 0 | 108.6 | E102 | E100-E102 HydrophobicContact CB-CG 4.45Š| ||
| 101 | P | 43.3 | Very low | 41.4 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -100.1 | 103.1 | 152.1 | 31 | -19.6 | 0 | 0 | 0 | 108.3 | ||||
| 102 | E | 39.8 | Very low | 40.5 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -63.7 | 143.6 | 168.5 | -42.7 | -163.4 | 104 | 0 | 0 | 109.2 | E100 | E100-E102 HydrophobicContact CB-CG 4.45Š| ||
| 103 | A | 41.8 | Very low | 40.2 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -80.3 | 169.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 104 | E | 37.5 | Very low | 39.9 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | 109.6 | 137.8 | 142 | -50.2 | -127.6 | 95.2 | 0 | 0 | 119.7 | ||||
| 105 | G | 30.7 | Very low | 38.6 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 74.4 | 99.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 106 | N | 35.4 | Very low | 38.6 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | 63.9 | 144.6 | 90.1 | 128.1 | -22 | 0 | 0 | 0 | 116.4 | |||||
| 107 | E | 36.5 | Very low | 39.5 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 68 | 103.7 | 157.7 | -64.3 | 173.4 | 134.6 | 0 | 0 | 117.5 | ||||
| 108 | A | 35.2 | Very low | 39.6 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 80.5 | 120.7 | 90.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 109 | T | 34 | Very low | 39.3 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 30 | 119.8 | 149.5 | -150.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 110 | E | 31.3 | Very low | 40 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 174.5 | 138.4 | 76.6 | -176.1 | 174.9 | 111.4 | 0 | 0 | 109.4 | |||||
| 111 | N | 32.3 | Very low | 40.2 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -16.7 | 139.1 | 155 | -68.7 | -84.5 | 0 | 0 | 0 | 120.1 | ||||
| 112 | V | 37.4 | Very low | 40.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | 92.6 | 147.4 | 132.7 | 171.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 113 | P | 46.5 | Very low | 39.9 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | -125.6 | -179 | -103.1 | 24.7 | 3.4 | 0 | 0 | 0 | 113.6 | |||||
| 114 | Q | 44.8 | Very low | 40.2 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | 41.3 | 111.7 | 147.7 | -73.5 | -92.5 | -53.4 | 0 | 0 | 118.9 | ||||
| 115 | G | 31.5 | Very low | 40.6 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -176.6 | 76.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 116 | E | 42.8 | Very low | 41.2 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -104.8 | 126.7 | 150.1 | -84.5 | -175.6 | 76.1 | 0 | 0 | 107.3 | ||||
| 117 | P | 56.4 | Low | 41.7 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | -152.3 | -175.9 | 91.9 | 36.3 | -13.9 | 0 | 0 | 0 | 112.1 | |||||
| 118 | P | 46.7 | Very low | 42.4 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -148.7 | 154.1 | 27.9 | 40.7 | -17.5 | 0 | 0 | 0 | 121.1 | ||||
| 119 | K | 37.2 | Very low | 42.6 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | 80 | 145.3 | 132.5 | -84.1 | -176.5 | 177 | 170.9 | 0 | 124.3 | ||||
| 120 | P | 57.5 | Low | 43 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -98.4 | -172.6 | -167.7 | 45.9 | -37.4 | 0 | 0 | 0 | 111.7 | ||||
| 121 | P | 46.3 | Very low | 43.6 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | -156.7 | -178.9 | 84.5 | 32.9 | -8.3 | 0 | 0 | 0 | 116.8 | |||||
| 122 | L | 41.9 | Very low | 44.3 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 76.1 | 135.4 | 153.8 | -72.7 | 149.7 | 0 | 0 | 0 | 117 | ||||
| 123 | K | 34.9 | Very low | 44.7 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | cis | -173.2 | 159.8 | 8 | -158.4 | -174 | 179.2 | 176.9 | 0 | 107.9 | ||||
| 124 | S | 48.3 | Very low | 44.6 | Very low | 75 Ų | 75 | 151.1 Ų | 151.1 | 52% | 0.524 | 79% | 0.789 | S | S | . | * | trans | 75.8 | 127.2 | 143.9 | -79 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 125 | E | 45.3 | Very low | 44.5 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 73.8 | 133.4 | 138 | -83.1 | 161.8 | 72.4 | 0 | 0 | 117.6 | ||||
| 126 | K | 43.6 | Very low | 45.5 | Very low | 149 Ų | 149 | 153 Ų | 153 | 65% | 0.648 | 78% | 0.779 | S | S | * | * | cis | -153 | 134 | 16.1 | -163 | 179.2 | -171.2 | -154.1 | 0 | 108.3 | E128 | K126-E128 WeakPolarHBondContact CD-OE2 3.4Å; K126-E128 WeakPolarHBondContact CE-OE2 3.15Å; K126-E128 IonicContact NZ-OE1 2.96Å; K126-E128 PolarHBondContact NZ-OE1 2.63Å; K126-E128 IonicContact NZ-OE2 2.63Å; K126-E128 PolarHBondContact NZ-OE2 2.96Å | ||
| 127 | H | 44.8 | Very low | 45.7 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -83.1 | 133.1 | 161.6 | -144.8 | 116.5 | 0 | 0 | 0 | 106.5 | ||||
| 128 | E | 51.4 | Low | 44.8 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | trans | -153 | 90.5 | 159.6 | -107.8 | 168 | 159.2 | 0 | 0 | 107.7 | K126 | K126-E128 WeakPolarHBondContact CD-OE2 3.4Å; K126-E128 WeakPolarHBondContact CE-OE2 3.15Å; K126-E128 IonicContact NZ-OE1 2.96Å; K126-E128 PolarHBondContact NZ-OE1 2.63Å; K126-E128 IonicContact NZ-OE2 2.63Å; K126-E128 PolarHBondContact NZ-OE2 2.96Å | ||
| 129 | E | 39.8 | Very low | 44.6 | Very low | 253 Ų | 253 | 156 Ų | 156 | 100% | 1.182 | 77% | 0.771 | S | S | * | * | -129.5 | 0 | 128.9 | -167.5 | 179.7 | 110 | 0 | 0 | 106.7 |
Retrieved 129 of 129 residues in 48.9 ms
(Link to these results)