| 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 | 37.4 | Very low | 46.1 | Very low | 233 Ų | 233 | 117.2 Ų | 117.2 | 100% | 1.148 | 79% | 0.794 | S | S | * | * | 0 | 94 | 0 | -76 | 77.7 | 159.9 | 0 | 0 | 107.6 | |||||
| 2 | D | 34.5 | Very low | 47.5 | Very low | 161 Ų | 161 | 112.7 Ų | 112.7 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 135.1 | 177.3 | -62.2 | -66.4 | 0 | 0 | 0 | 110 | ||
| 3 | P | 47.9 | Very low | 48.9 | Very low | 124 Ų | 124 | 112.5 Ų | 112.5 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 133.7 | 177.4 | 31 | -29.7 | 0 | 0 | 0 | 110.5 | A5 | P3-A5 PolarHBondContact O-N 3.29Š|
| 4 | A | 47.5 | Very low | 50.6 | Low | 100 Ų | 100 | 110.6 Ų | 110.6 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 129 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 5 | A | 43.3 | Very low | 52.1 | Low | 94 Ų | 94 | 108.5 Ų | 108.5 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 122.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109 | P3 G7 | P3-A5 PolarHBondContact O-N 3.29Å; A5-G7 PolarHBondContact O-N 3.11Å |
| 6 | P | 43 | Very low | 53.6 | Low | 125 Ų | 125 | 110.2 Ų | 110.2 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | trans | -74.7 | 112.8 | 175.7 | 28.5 | -29 | 0 | 0 | 0 | 108.5 | S8 | P6-S8 PolarHBondContact O-N 2.81Å; P6-S8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | G | 39.1 | Very low | 54.8 | Low | 76 Ų | 76 | 109.6 Ų | 109.6 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | trans | -57.5 | 112.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | A5 G9 | A5-G7 PolarHBondContact O-N 3.11Å; G7-G9 PolarHBondContact O-N 3.07Å | ||
| 8 | S | 46.6 | Very low | 56.1 | Low | 97 Ų | 97 | 106.9 Ų | 106.9 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -68.9 | 76.4 | 172.1 | 64 | 0 | 0 | 0 | 0 | 108.8 | P6 V10 | P6-S8 PolarHBondContact O-N 2.81Å; P6-S8 VanDerWaalsContact O-N 3.07Å; S8-V10 PolarHBondContact O-N 3.15Å | ||
| 9 | G | 52.3 | Low | 57.5 | Low | 65 Ų | 65 | 106.4 Ų | 106.4 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | trans | -59.8 | 115.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | G7 S11 | G7-G9 PolarHBondContact O-N 3.07Å; G9-S11 PolarHBondContact O-N 3.49Å | ||
| 10 | V | 55.8 | Low | 58.5 | Low | 136 Ų | 136 | 103.9 Ų | 103.9 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -61.7 | 99.3 | 170 | -178.8 | 0 | 0 | 0 | 0 | 104.6 | S8 S12 | S8-V10 PolarHBondContact O-N 3.15Å; V10-S12 PolarHBondContact O-N 3.37Å | ||
| 11 | S | 59.2 | Low | 59.8 | Low | 78 Ų | 78 | 104.4 Ų | 104.4 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | -61.1 | 108.7 | -176.3 | -159 | 0 | 0 | 0 | 0 | 106.1 | G9 L13 P14 | G9-S11 PolarHBondContact O-N 3.49Å; S11-L13 PolarHBondContact O-N 3.44Å; S11-L13 WeakPolarHBondContact OG-CB 3.36Å; S11-P14 WeakPolarHBondContact O-CD 3.49Å; S11-P14 VanDerWaalsContact O-CG 3.29Å; S11-P14 WeakPolarHBondContact O-CG 3.42Å | ||
| 12 | S | 63.1 | Low | 62 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 44% | 0.441 | 63% | 0.629 | S | S | . | * | trans | -72.2 | -7.6 | 175.7 | 47.4 | 0 | 0 | 0 | 0 | 111.2 | V10 L15 F16 | V10-S12 PolarHBondContact O-N 3.37Å; S12-L15 WeakPolarHBondContact O-CA 3.26Å; S12-L15 WeakPolarHBondContact O-CB 3.4Å; S12-L15 PolarHBondContact O-N 3.07Å; S12-F16 WeakPolarHBondContact O-CD2 3.02Å; S12-F16 PolarHBondContact O-N 3.03Å; S12-F16 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 13 | L | 65.4 | Low | 64.2 | Low | 111 Ų | 111 | 92.8 Ų | 92.8 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51.2 | -50.2 | 179 | -151.1 | 74.2 | 0 | 0 | 0 | 113.8 | S11 L15 F16 L17 | S11-L13 PolarHBondContact O-N 3.44Å; S11-L13 WeakPolarHBondContact OG-CB 3.36Å; L13-L15 VanDerWaalsContact C-N 3.28Å; L13-L15 PolarHBondContact O-N 3.49Å; L13-F16 PolarHBondContact O-N 3.01Å; L13-L17 HydrophobicContact CG-CD1 4.37Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3Å; L13-L17 PolarHBondContact O-N 3.41Å |
| 14 | P | 72.9 | Confident | 65.8 | Low | 86 Ų | 86 | 89.3 Ų | 89.3 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.3 | -33.8 | 173.5 | 21.8 | -36.5 | 0 | 0 | 0 | 113.8 | S11 A18 | S11-P14 WeakPolarHBondContact O-CD 3.49Å; S11-P14 VanDerWaalsContact O-CG 3.29Å; S11-P14 WeakPolarHBondContact O-CG 3.42Å; P14-A18 WeakPolarHBondContact O-CB 3.3Å; P14-A18 PolarHBondContact O-N 2.91Å |
| 15 | L | 74.1 | Confident | 67.2 | Low | 79 Ų | 79 | 88.9 Ų | 88.9 | 41% | 0.414 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.4 | -44.5 | 178.1 | -163.9 | 82.4 | 0 | 0 | 0 | 111.1 | S12 L13 L17 A18 L19 I136 | S12-L15 WeakPolarHBondContact O-CA 3.26Å; S12-L15 WeakPolarHBondContact O-CB 3.4Å; S12-L15 PolarHBondContact O-N 3.07Å; L13-L15 VanDerWaalsContact C-N 3.28Å; L13-L15 PolarHBondContact O-N 3.49Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-A18 PolarHBondContact O-N 2.99Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 3.42Å; L15-I136 HydrophobicContact CD1-CD1 3.76Å; L15-I136 HydrophobicContact CD1-CG1 4.3Å |
| 16 | F | 75.2 | Confident | 68.7 | Low | 135 Ų | 135 | 87.7 Ų | 87.7 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.9 | -38.6 | 175.1 | -76.3 | -65.7 | 0 | 0 | 0 | 111.9 | S12 L13 L19 A20 | S12-F16 WeakPolarHBondContact O-CD2 3.02Å; S12-F16 PolarHBondContact O-N 3.03Å; S12-F16 WeakPolarHBondContact OG-CE2 3.49Å; L13-F16 PolarHBondContact O-N 3.01Å; F16-L19 PolarHBondContact O-N 3.12Å; F16-A20 VanDerWaalsContact O-CB 3.25Å; F16-A20 WeakPolarHBondContact O-CB 3.48Å; F16-A20 PolarHBondContact O-N 3.12Å |
| 17 | L | 74.1 | Confident | 70.1 | Confident | 101 Ų | 101 | 88.6 Ų | 88.6 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.4 | -44.8 | 173.9 | -78.6 | 161.7 | 0 | 0 | 0 | 111.7 | L13 L15 A20 L21 | L13-L17 HydrophobicContact CG-CD1 4.37Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CD1 3.37Å; L13-L17 VanDerWaalsContact O-CG 3.3Å; L13-L17 WeakPolarHBondContact O-CG 3Å; L13-L17 PolarHBondContact O-N 3.41Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L17-A20 PolarHBondContact O-N 2.03Å; L17-L21 WeakPolarHBondContact O-CB 3.05Å; L17-L21 WeakPolarHBondContact O-CD1 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.2Å; L17-L21 PolarHBondContact O-N 2.83Å |
| 18 | A | 78.4 | Confident | 71.4 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P14 L15 G22 | P14-A18 WeakPolarHBondContact O-CB 3.3Å; P14-A18 PolarHBondContact O-N 2.91Å; L15-A18 PolarHBondContact O-N 2.99Å; A18-G22 PolarHBondContact O-N 3.02Å |
| 19 | L | 82.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 88.4 Ų | 88.4 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 175.5 | -126.3 | 103.6 | 0 | 0 | 0 | 111.6 | L15 F16 G22 L23 | L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 PolarHBondContact O-N 3.42Å; F16-L19 PolarHBondContact O-N 3.12Å; L19-G22 PolarHBondContact O-N 2.86Å; L19-L23 HydrophobicContact CD2-CD1 4.45Å; L19-L23 WeakPolarHBondContact O-CB 3.21Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.14Å; L19-L23 PolarHBondContact O-N 3.26Å |
| 20 | A | 78.8 | Confident | 73.1 | Confident | 55 Ų | 55 | 89.6 Ų | 89.6 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F16 L17 L23 A24 | F16-A20 VanDerWaalsContact O-CB 3.25Å; F16-A20 WeakPolarHBondContact O-CB 3.48Å; F16-A20 PolarHBondContact O-N 3.12Å; L17-A20 PolarHBondContact O-N 2.03Å; A20-L23 PolarHBondContact O-N 3.29Å; A20-A24 VanDerWaalsContact O-CB 3.27Å; A20-A24 WeakPolarHBondContact O-CB 3.14Å; A20-A24 PolarHBondContact O-N 3.36Å |
| 21 | L | 84.4 | Confident | 73.2 | Confident | 116 Ų | 116 | 85.4 Ų | 85.4 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 174.3 | -77.9 | 160.7 | 0 | 0 | 0 | 111.4 | L17 A24 V25 | L17-L21 WeakPolarHBondContact O-CB 3.05Å; L17-L21 WeakPolarHBondContact O-CD1 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.2Å; L17-L21 PolarHBondContact O-N 2.83Å; L21-A24 PolarHBondContact O-N 2.01Å; L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 2.99Å; L21-V25 PolarHBondContact O-N 3.25Å |
| 22 | G | 83.3 | Confident | 72.9 | Confident | 43 Ų | 43 | 87.2 Ų | 87.2 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | A18 L19 L26 | A18-G22 PolarHBondContact O-N 3.02Å; L19-G22 PolarHBondContact O-N 2.86Å; G22-L26 WeakPolarHBondContact O-CB 3.17Å; G22-L26 PolarHBondContact O-N 2.83Å |
| 23 | L | 82.4 | Confident | 72.5 | Confident | 107 Ų | 107 | 86.8 Ų | 86.8 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 175.5 | -73.9 | 170.2 | 0 | 0 | 0 | 112 | L19 A20 L26 H27 | L19-L23 HydrophobicContact CD2-CD1 4.45Å; L19-L23 WeakPolarHBondContact O-CB 3.21Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.14Å; L19-L23 PolarHBondContact O-N 3.26Å; A20-L23 PolarHBondContact O-N 3.29Å; L23-L26 PolarHBondContact O-N 3.38Å; L23-H27 WeakPolarHBondContact O-CB 3.24Å; L23-H27 PolarHBondContact O-N 3.39Å |
| 24 | A | 80.1 | Confident | 71.6 | Confident | 50 Ų | 50 | 88.6 Ų | 88.6 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A20 L21 L26 H27 C28 | A20-A24 VanDerWaalsContact O-CB 3.27Å; A20-A24 WeakPolarHBondContact O-CB 3.14Å; A20-A24 PolarHBondContact O-N 3.36Å; L21-A24 PolarHBondContact O-N 2.01Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.02Å; A24-H27 PolarHBondContact O-N 3.29Å; A24-C28 PolarHBondContact O-N 2.78Å; A24-C28 PolarHBondContact O-SG 2.79Å |
| 25 | V | 76.9 | Confident | 70.2 | Confident | 91 Ų | 91 | 89.6 Ų | 89.6 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111 | L21 H27 C28 V29 | L21-V25 VanDerWaalsContact O-CG2 3.28Å; L21-V25 WeakPolarHBondContact O-CG2 2.99Å; L21-V25 PolarHBondContact O-N 3.25Å; V25-H27 VanDerWaalsContact C-N 3.32Å; V25-H27 PolarHBondContact O-N 3.11Å; V25-C28 PolarHBondContact O-N 3.01Å; V25-V29 HydrophobicContact CG1-CG2 4.45Å; V25-V29 WeakPolarHBondContact O-CG2 2.99Å; V25-V29 PolarHBondContact O-N 3.25Å |
| 26 | L | 75.4 | Confident | 69 | Low | 70 Ų | 70 | 91.4 Ų | 91.4 | 37% | 0.366 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.9 | -42.2 | 175.6 | -175.3 | 64.9 | 0 | 0 | 0 | 111.5 | G22 L23 A24 V29 V30 I125 | G22-L26 WeakPolarHBondContact O-CB 3.17Å; G22-L26 PolarHBondContact O-N 2.83Å; L23-L26 PolarHBondContact O-N 3.38Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-L26 PolarHBondContact O-N 3.02Å; L26-V29 PolarHBondContact O-N 2.97Å; L26-V30 HydrophobicContact CD1-CG2 4.49Å; L26-V30 WeakPolarHBondContact O-CB 3.28Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.1Å; L26-V30 PolarHBondContact O-N 2.03Å; L26-I125 HydrophobicContact CD1-CD1 4.16Å; L26-I125 HydrophobicContact CD1-CG2 4.48Å |
| 27 | H | 71.6 | Confident | 67.4 | Low | 144 Ų | 144 | 96.2 Ų | 96.2 | 67% | 0.667 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.6 | -36.1 | 178.5 | -152.7 | -86.2 | 0 | 0 | 0 | 112.3 | L23 A24 V25 A31 | L23-H27 WeakPolarHBondContact O-CB 3.24Å; L23-H27 PolarHBondContact O-N 3.39Å; A24-H27 PolarHBondContact O-N 3.29Å; V25-H27 VanDerWaalsContact C-N 3.32Å; V25-H27 PolarHBondContact O-N 3.11Å; H27-A31 VanDerWaalsContact O-CB 3.26Å; H27-A31 WeakPolarHBondContact O-CB 3.02Å; H27-A31 PolarHBondContact O-N 2.83Å |
| 28 | C | 68 | Low | 65.4 | Low | 77 Ų | 77 | 97 Ų | 97 | 52% | 0.52 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -48 | 172.4 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | A24 V25 V30 A31 D32 | A24-C28 PolarHBondContact O-N 2.78Å; A24-C28 PolarHBondContact O-SG 2.79Å; V25-C28 PolarHBondContact O-N 3.01Å; C28-V30 VanDerWaalsContact C-N 3.33Å; C28-V30 PolarHBondContact O-N 2.88Å; C28-A31 PolarHBondContact O-N 3.41Å; C28-D32 PolarHBondContact O-N 2.77Å |
| 29 | V | 68.2 | Low | 63.6 | Low | 91 Ų | 91 | 99.7 Ų | 99.7 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.2 | -37.7 | 179.3 | 173.6 | 0 | 0 | 0 | 0 | 111.8 | V25 L26 G33 | V25-V29 HydrophobicContact CG1-CG2 4.45Å; V25-V29 WeakPolarHBondContact O-CG2 2.99Å; V25-V29 PolarHBondContact O-N 3.25Å; L26-V29 PolarHBondContact O-N 2.97Å; V29-G33 PolarHBondContact O-N 3.03Å |
| 30 | V | 66.6 | Low | 61.6 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.6 | -37.6 | 175.3 | 169 | 0 | 0 | 0 | 0 | 111.6 | L26 C28 G33 N34 | L26-V30 HydrophobicContact CD1-CG2 4.49Å; L26-V30 WeakPolarHBondContact O-CB 3.28Å; L26-V30 VanDerWaalsContact O-CG2 3.25Å; L26-V30 WeakPolarHBondContact O-CG2 3.1Å; L26-V30 PolarHBondContact O-N 2.03Å; C28-V30 VanDerWaalsContact C-N 3.33Å; C28-V30 PolarHBondContact O-N 2.88Å; V30-G33 PolarHBondContact O-N 2.74Å; V30-N34 WeakPolarHBondContact O-CB 3.23Å; V30-N34 PolarHBondContact O-N 2.78Å |
| 31 | A | 56.9 | Low | 60 | Low | 48 Ų | 48 | 106.1 Ų | 106.1 | 40% | 0.397 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.6 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H27 C28 N34 T35 | H27-A31 VanDerWaalsContact O-CB 3.26Å; H27-A31 WeakPolarHBondContact O-CB 3.02Å; H27-A31 PolarHBondContact O-N 2.83Å; C28-A31 PolarHBondContact O-N 3.41Å; A31-N34 PolarHBondContact O-N 2.82Å; A31-T35 WeakPolarHBondContact O-CB 3.25Å; A31-T35 PolarHBondContact O-N 2.7Å; A31-T35 VanDerWaalsContact O-N 3.14Å; A31-T35 PolarHBondContact O-OG1 3.16Å |
| 32 | D | 53.2 | Low | 57.7 | Low | 116 Ų | 116 | 108 Ų | 108 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.7 | -38.7 | 174 | -81.9 | -44.3 | 0 | 0 | 0 | 111.8 | C28 N34 T35 | C28-D32 PolarHBondContact O-N 2.77Å; D32-N34 VanDerWaalsContact C-N 3.26Å; D32-N34 PolarHBondContact O-N 2.72Å; D32-T35 CarbonylContact O-C 3.54Å; D32-T35 PolarHBondContact O-N 2.81Å |
| 33 | G | 55 | Low | 56 | Low | 54 Ų | 54 | 111.2 Ų | 111.2 | 56% | 0.557 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.6 | -26.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | V29 V30 | V29-G33 PolarHBondContact O-N 3.03Å; V30-G33 PolarHBondContact O-N 2.74Å |
| 34 | N | 45.3 | Very low | 53.8 | Low | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -85 | -13.2 | 173.5 | -142.4 | 16.5 | 0 | 0 | 0 | 112.4 | V30 A31 D32 | V30-N34 WeakPolarHBondContact O-CB 3.23Å; V30-N34 PolarHBondContact O-N 2.78Å; A31-N34 PolarHBondContact O-N 2.82Å; D32-N34 VanDerWaalsContact C-N 3.26Å; D32-N34 PolarHBondContact O-N 2.72Å |
| 35 | T | 44.7 | Very low | 51.8 | Low | 108 Ų | 108 | 117.6 Ų | 117.6 | 66% | 0.663 | 67% | 0.674 | S | S | * | * | trans | -101.7 | 49.7 | -179.2 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | A31 D32 | A31-T35 WeakPolarHBondContact O-CB 3.25Å; A31-T35 PolarHBondContact O-N 2.7Å; A31-T35 VanDerWaalsContact O-N 3.14Å; A31-T35 PolarHBondContact O-OG1 3.16Å; D32-T35 CarbonylContact O-C 3.54Å; D32-T35 PolarHBondContact O-N 2.81Å | ||
| 36 | T | 48.6 | Very low | 49.7 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | trans | -132.8 | 80.5 | 165.2 | -36.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 37 | R | 40.8 | Very low | 47.7 | Very low | 237 Ų | 237 | 119 Ų | 119 | 89% | 0.894 | 70% | 0.702 | S | S | * | * | trans | -175 | 89.6 | 141.2 | -107.2 | 178.5 | -178 | 146.6 | 2.4 | 111.5 | ||||
| 38 | T | 32.8 | Very low | 46 | Very low | 118 Ų | 118 | 119.2 Ų | 119.2 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | -162.5 | 103.8 | 129.9 | 40.3 | 0 | 0 | 0 | 0 | 108.5 | E40 | T38-E40 VanDerWaalsContact C-N 3.33Å; T38-E40 PolarHBondContact O-N 2.73Å | |||
| 39 | P | 40.9 | Very low | 44.5 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | trans | -75.8 | 95.2 | 153.3 | 15.6 | -0 | 0 | 0 | 0 | 106.8 | T41 | P39-T41 PolarHBondContact O-N 2.75Š| ||
| 40 | E | 40.8 | Very low | 43.5 | Very low | 178 Ų | 178 | 119.9 Ų | 119.9 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -71.1 | 81.2 | 158 | -74.9 | -80.3 | 141.7 | 0 | 0 | 106.7 | T38 | T38-E40 VanDerWaalsContact C-N 3.33Å; T38-E40 PolarHBondContact O-N 2.73Å | ||
| 41 | T | 44.1 | Very low | 42.3 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | trans | -118.7 | 102.9 | 161.9 | -57.6 | 0 | 0 | 0 | 0 | 105.4 | P39 | P39-T41 PolarHBondContact O-N 2.75Š| ||
| 42 | N | 36.9 | Very low | 41.7 | Very low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -164.8 | 96.9 | 138.7 | -84.1 | -23.7 | 0 | 0 | 0 | 108.8 | ||||
| 43 | S | 47.5 | Very low | 40.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -31.4 | 132.4 | 157.8 | 53 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 44 | S | 34.7 | Very low | 40.5 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -136.8 | 79.7 | 149.2 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 45 | L | 38.7 | Very low | 40.1 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -75.3 | 122.7 | 161.1 | -130.5 | 87.4 | 0 | 0 | 0 | 106.9 | ||||
| 46 | C | 32.8 | Very low | 39.6 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -132.3 | 103.3 | 152.9 | -138.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 47 | G | 32.7 | Very low | 39.1 | Very low | 59 Ų | 59 | 133 Ų | 133 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -107.4 | 137.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 48 | V | 35.9 | Very low | 38.8 | Very low | 149 Ų | 149 | 126 Ų | 126 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | trans | 65.5 | 101.8 | 147.6 | -166.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 49 | S | 37.8 | Very low | 39.1 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 155.2 | 135.8 | 113.3 | -165.3 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 50 | G | 47.8 | Very low | 39.2 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -52 | 135.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 51 | E | 41.3 | Very low | 39.1 | Very low | 190 Ų | 190 | 133.6 Ų | 133.6 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | 177 | 147.6 | 125 | -89.3 | 162.7 | -162.9 | 0 | 0 | 109.5 | C53 | E51-C53 PolarHBondContact O-N 3.49Š| |||
| 52 | N | 43.6 | Very low | 39.1 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -57.6 | 120.2 | -163.4 | -62.6 | -45.9 | 0 | 0 | 0 | 114.5 | ||||
| 53 | C | 36.4 | Very low | 39.4 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -101.1 | 81.5 | 159.6 | -77.5 | 0 | 0 | 0 | 0 | 110 | E51 V55 | E51-C53 PolarHBondContact O-N 3.49Å; C53-V55 VanDerWaalsContact C-N 3.27Å; C53-V55 PolarHBondContact O-N 3.36Å; C53-V55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | T | 46.5 | Very low | 39.6 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -81.9 | 78.7 | 162.9 | -32.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 55 | V | 36.2 | Very low | 40.6 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | trans | -118 | 95.7 | 158.5 | 176.2 | 0 | 0 | 0 | 0 | 106.6 | C53 T57 | C53-V55 VanDerWaalsContact C-N 3.27Å; C53-V55 PolarHBondContact O-N 3.36Å; C53-V55 VanDerWaalsContact O-N 3.16Å; V55-T57 PolarHBondContact O-N 2.93Å | ||
| 56 | T | 35.8 | Very low | 41.3 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | -48.6 | 93.8 | 158.2 | -56 | 0 | 0 | 0 | 0 | 107.5 | P58 | T56-P58 WeakPolarHBondContact O-CD 3.17Å; T56-P58 VanDerWaalsContact O-N 3.09Å | ||
| 57 | T | 37.4 | Very low | 42.5 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | -59.9 | 111.7 | 166 | 27.4 | 0 | 0 | 0 | 0 | 106.3 | V55 R59 | V55-T57 PolarHBondContact O-N 2.93Å; T57-R59 PolarHBondContact O-N 3.22Å; T57-R59 VanDerWaalsContact O-N 3.15Å | ||
| 58 | P | 33.6 | Very low | 43.9 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 59% | 0.591 | 71% | 0.707 | S | S | * | * | trans | -59.8 | 127.6 | 153.6 | 17.3 | -6.4 | 0 | 0 | 0 | 103.4 | T56 Q60 | T56-P58 WeakPolarHBondContact O-CD 3.17Å; T56-P58 VanDerWaalsContact O-N 3.09Å; P58-Q60 HydrophobicContact CG-CG 4.33Å; P58-Q60 PolarHBondContact O-N 3.31Å | ||
| 59 | R | 40.6 | Very low | 45.4 | Very low | 245 Ų | 245 | 128 Ų | 128 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | trans | -58.9 | 81 | 164.3 | -174.4 | 171.5 | -179.2 | 167.3 | -0.5 | 105.7 | T57 K61 | T57-R59 PolarHBondContact O-N 3.22Å; T57-R59 VanDerWaalsContact O-N 3.15Å; R59-K61 PolarHBondContact O-N 2.97Å | ||
| 60 | Q | 41.8 | Very low | 46.8 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | trans | -63.5 | 94.4 | 166.2 | -69.9 | -168 | -6.5 | 0 | 0 | 102 | P58 L62 | P58-Q60 HydrophobicContact CG-CG 4.33Å; P58-Q60 PolarHBondContact O-N 3.31Å; Q60-L62 PolarHBondContact O-N 3.21Å | ||
| 61 | K | 38.9 | Very low | 47.5 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | trans | -42.1 | 86.9 | 135.1 | -98.5 | -177.8 | 172.6 | 174.2 | 0 | 104.5 | R59 K63 | R59-K61 PolarHBondContact O-N 2.97Å; K61-K63 HydrophobicContact CB-CG 4.39Å; K61-K63 PolarHBondContact O-N 2.74Å | ||
| 62 | L | 43.4 | Very low | 48.6 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 59% | 0.592 | 65% | 0.653 | S | S | * | * | trans | -64.5 | 82.4 | 155.3 | -163.6 | 73.5 | 0 | 0 | 0 | 102.2 | Q60 I64 | Q60-L62 PolarHBondContact O-N 3.21Å; L62-I64 HydrophobicContact CB-CG1 4.38Å; L62-I64 HydrophobicContact CD2-CD1 3.64Å; L62-I64 HydrophobicContact CD2-CG1 3.49Å; L62-I64 VanDerWaalsContact CD2-CG1 3.49Å; L62-I64 HydrophobicContact CG-CD1 4.28Å; L62-I64 HydrophobicContact CG-CG1 3.55Å; L62-I64 PolarHBondContact O-N 2.61Å | ||
| 63 | K | 45 | Very low | 49.6 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 68% | 0.683 | 63% | 0.632 | S | S | * | * | trans | -65.7 | 74.1 | 159.4 | -80.1 | -176 | 176.9 | -175.8 | 0 | 103.3 | K61 H65 | K61-K63 HydrophobicContact CB-CG 4.39Å; K61-K63 PolarHBondContact O-N 2.74Å; K63-H65 PolarHBondContact O-N 3.15Å | ||
| 64 | I | 51.5 | Low | 51 | Low | 46 Ų | 46 | 128.6 Ų | 128.6 | 24% | 0.236 | 62% | 0.621 | C | S | . | * | trans | -58.2 | 101.7 | 155.6 | -54.6 | -179.2 | 0 | 0 | 0 | 101.7 | L62 F66 | L62-I64 HydrophobicContact CB-CG1 4.38Å; L62-I64 HydrophobicContact CD2-CD1 3.64Å; L62-I64 HydrophobicContact CD2-CG1 3.49Å; L62-I64 VanDerWaalsContact CD2-CG1 3.49Å; L62-I64 HydrophobicContact CG-CD1 4.28Å; L62-I64 HydrophobicContact CG-CG1 3.55Å; L62-I64 PolarHBondContact O-N 2.61Å; I64-F66 HydrophobicContact CB-CD2 4.32Å; I64-F66 HydrophobicContact CB-CE1 4.36Å; I64-F66 HydrophobicContact CB-CE2 3.87Å; I64-F66 HydrophobicContact CB-CZ 3.9Å; I64-F66 HydrophobicContact CD1-CZ 4.16Å; I64-F66 HydrophobicContact CG2-CD1 4.03Å; I64-F66 HydrophobicContact CG2-CD2 4.4Å; I64-F66 HydrophobicContact CG2-CE1 3.71Å; I64-F66 HydrophobicContact CG2-CE2 4.11Å; I64-F66 HydrophobicContact CG2-CG 4.37Å; I64-F66 HydrophobicContact CG2-CZ 3.75Å; I64-F66 VanDerWaalsContact O-CD2 3.23Å; I64-F66 WeakPolarHBondContact O-CD2 3.25Å; I64-F66 PolarHBondContact O-N 3.33Å | ||
| 65 | H | 54.1 | Low | 52.5 | Low | 139 Ų | 139 | 129.9 Ų | 129.9 | 64% | 0.644 | 62% | 0.619 | S | S | * | * | trans | -74.2 | 78.4 | -174 | -152 | -79.3 | 0 | 0 | 0 | 105.3 | K63 S67 | K63-H65 PolarHBondContact O-N 3.15Å; H65-S67 VanDerWaalsContact C-N 3.26Å; H65-S67 PolarHBondContact O-N 2.89Å | ||
| 66 | F | 53.5 | Low | 54.6 | Low | 125 Ų | 125 | 127.3 Ų | 127.3 | 55% | 0.548 | 60% | 0.596 | S | S | . | * | trans | -60.8 | 94.4 | 176.8 | -66.2 | -71.7 | 0 | 0 | 0 | 107.1 | I64 | I64-F66 HydrophobicContact CB-CD2 4.32Å; I64-F66 HydrophobicContact CB-CE1 4.36Å; I64-F66 HydrophobicContact CB-CE2 3.87Å; I64-F66 HydrophobicContact CB-CZ 3.9Å; I64-F66 HydrophobicContact CD1-CZ 4.16Å; I64-F66 HydrophobicContact CG2-CD1 4.03Å; I64-F66 HydrophobicContact CG2-CD2 4.4Å; I64-F66 HydrophobicContact CG2-CE1 3.71Å; I64-F66 HydrophobicContact CG2-CE2 4.11Å; I64-F66 HydrophobicContact CG2-CG 4.37Å; I64-F66 HydrophobicContact CG2-CZ 3.75Å; I64-F66 VanDerWaalsContact O-CD2 3.23Å; I64-F66 WeakPolarHBondContact O-CD2 3.25Å; I64-F66 PolarHBondContact O-N 3.33Å | ||
| 67 | S | 58.3 | Low | 57 | Low | 47 Ų | 47 | 122 Ų | 122 | 33% | 0.329 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -90.4 | 153.8 | -178.6 | 52.1 | 0 | 0 | 0 | 0 | 109.5 | H65 C69 | H65-S67 VanDerWaalsContact C-N 3.26Å; H65-S67 PolarHBondContact O-N 2.89Å; S67-C69 PolarHBondContact O-N 3.45Å |
| 68 | R | 62.3 | Low | 59.3 | Low | 242 Ų | 242 | 120.9 Ų | 120.9 | 91% | 0.913 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 131.6 | 173.1 | -152.3 | 168.2 | -167.1 | 169 | 2.3 | 107.6 | ||
| 69 | C | 67.1 | Low | 61.8 | Low | 20 Ų | 20 | 119.8 Ų | 119.8 | 14% | 0.135 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 138.5 | -175.4 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | S67 C82 | S67-C69 PolarHBondContact O-N 3.45Å; C69-C82 HydrophobicContact CB-CB 3.73Å; C69-C82 WeakPolarHBondContact CB-SG 3.39Å; C69-C82 WeakPolarHBondContact SG-CB 3.4Å; C69-C82 CovalentContact SG-SG 2.01Å; C69-C82 PolarHBondContact SG-SG 3.34Å |
| 70 | P | 67.4 | Low | 63.8 | Low | 58 Ų | 58 | 109.2 Ų | 109.2 | 38% | 0.377 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 149.1 | 174.3 | -22.4 | 30.6 | 0 | 0 | 0 | 110.9 | Q72 Y73 K74 | P70-Q72 PolarHBondContact O-N 2.96Å; P70-Y73 HydrophobicContact CB-CD2 4.33Å; P70-Y73 HydrophobicContact CG-CD2 4.29Å; P70-Y73 PolarHBondContact O-N 3.43Å; P70-K74 PolarHBondContact O-N 3.44Å |
| 71 | K | 62.8 | Low | 65.8 | Low | 192 Ų | 192 | 111.5 Ų | 111.5 | 84% | 0.835 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -53.5 | -29.5 | -177 | -69.1 | -177.7 | -179.2 | 177.5 | 0 | 113.3 | Y73 K74 | K71-Y73 VanDerWaalsContact C-N 3.32Å; K71-Y73 PolarHBondContact O-N 3.45Å; K71-K74 WeakPolarHBondContact O-CB 3.2Å; K71-K74 PolarHBondContact O-N 3.06Å |
| 72 | Q | 63.7 | Low | 67.8 | Low | 172 Ų | 172 | 105 Ų | 105 | 80% | 0.804 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -63.9 | -33.1 | 177.4 | -59.4 | -176.7 | 15.2 | 0 | 0 | 113.2 | P70 | P70-Q72 PolarHBondContact O-N 2.96Š|
| 73 | Y | 65.8 | Low | 69.5 | Low | 96 Ų | 96 | 104.6 Ų | 104.6 | 38% | 0.376 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -102.3 | 10.8 | -178.8 | -60.7 | -71.8 | 0 | 0 | 0 | 113.1 | P70 K71 H75 Y76 P91 | P70-Y73 HydrophobicContact CB-CD2 4.33Å; P70-Y73 HydrophobicContact CG-CD2 4.29Å; P70-Y73 PolarHBondContact O-N 3.43Å; K71-Y73 VanDerWaalsContact C-N 3.32Å; K71-Y73 PolarHBondContact O-N 3.45Å; Y73-H75 PolarHBondContact O-N 2.99Å; Y73-H75 VanDerWaalsContact O-N 3.15Å; Y73-Y76 VanDerWaalsContact O-CB 3.26Å; Y73-Y76 WeakPolarHBondContact O-CB 3.21Å; Y73-Y76 PolarHBondContact O-N 3.31Å; Y73-P91 HydrophobicContact CD1-CG 4.1Å; Y73-P91 HydrophobicContact CE1-CG 4.34Å; Y73-P91 HydrophobicContact CG-CB 4.43Å; Y73-P91 HydrophobicContact CG-CG 4.4Å |
| 74 | K | 66.2 | Low | 70.7 | Confident | 151 Ų | 151 | 98.7 Ų | 98.7 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.3 | -178.8 | -167.1 | -178.2 | 177.9 | -170.3 | 0 | 112.8 | P70 K71 | P70-K74 PolarHBondContact O-N 3.44Å; K71-K74 WeakPolarHBondContact O-CB 3.2Å; K71-K74 PolarHBondContact O-N 3.06Å |
| 75 | H | 77.3 | Confident | 71.6 | Confident | 151 Ų | 151 | 97.9 Ų | 97.9 | 70% | 0.699 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 15.5 | 178.1 | -57.8 | -69.8 | 0 | 0 | 0 | 112.9 | Y73 | Y73-H75 PolarHBondContact O-N 2.99Å; Y73-H75 VanDerWaalsContact O-N 3.15Å |
| 76 | Y | 80.9 | Confident | 71.9 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -46.3 | 176.7 | 179.8 | -105.7 | 0 | 0 | 0 | 111.1 | Y73 P91 C93 R103 | Y73-Y76 VanDerWaalsContact O-CB 3.26Å; Y73-Y76 WeakPolarHBondContact O-CB 3.21Å; Y73-Y76 PolarHBondContact O-N 3.31Å; Y76-P91 HydrophobicContact CD1-CB 4.1Å; Y76-P91 HydrophobicContact CD1-CG 4.19Å; Y76-P91 HydrophobicContact CE1-CB 4.33Å; Y76-P91 HydrophobicContact CE1-CG 4.12Å; Y76-C93 VanDerWaalsContact CD1-SG 3.56Å; Y76-R103 HydrophobicContact CD1-CG 4.32Å; Y76-R103 HydrophobicContact CD2-CG 4.2Å; Y76-R103 HydrophobicContact CE1-CG 3.79Å; Y76-R103 HydrophobicContact CE2-CG 3.65Å; Y76-R103 VanDerWaalsContact CZ-CG 3.42Å; Y76-R103 PolarHBondContact O-NE 3.36Å; Y76-R103 PolarHBondContact O-NH2 3.36Å |
| 77 | C | 85.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 92.5 Ų | 92.5 | 9% | 0.088 | 43% | 0.434 | C | S | . | . | trans | -81.9 | 126.3 | 172.7 | -49 | 0 | 0 | 0 | 0 | 109.8 | C93 | C77-C93 WeakPolarHBondContact CA-SG 3.4Å; C77-C93 HydrophobicContact CB-CB 3.86Å; C77-C93 WeakPolarHBondContact CB-SG 3.27Å; C77-C93 WeakPolarHBondContact SG-CA 3.16Å; C77-C93 WeakPolarHBondContact SG-CB 3.32Å; C77-C93 CovalentContact SG-SG 2.03Å; C77-C93 PolarHBondContact SG-SG 2.86Å | ||
| 78 | I | 86.2 | Confident | 72.1 | Confident | 93 Ų | 93 | 97.1 Ų | 97.1 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -82.8 | -57.1 | -179.8 | -51 | 177.9 | 0 | 0 | 0 | 109.5 | R103 E105 | I78-R103 PolarHBondContact N-O 3.01Å; I78-E105 HydrophobicContact CD1-CB 3.88Å |
| 79 | H | 85.6 | Confident | 72.1 | Confident | 69 Ų | 69 | 93.2 Ų | 93.2 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -120.1 | 74.5 | -178.1 | -64 | -68.7 | 0 | 0 | 0 | 111.3 | E96 Y99 C104 | H79-E96 PolarHBondContact O-N 2.99Å; H79-E96 VanDerWaalsContact O-N 3.11Å; H79-Y99 HydrophobicContact CB-CD1 3.67Å; H79-Y99 HydrophobicContact CB-CD2 4.08Å; H79-Y99 HydrophobicContact CB-CE1 3.97Å; H79-Y99 HydrophobicContact CB-CE2 4.37Å; H79-Y99 HydrophobicContact CB-CG 3.73Å; H79-Y99 AromaticContact CD2-CD1 3.59Å; H79-Y99 AromaticContact CD2-CE1 3.3Å; H79-Y99 WeakPolarHBondContact CD2-CE1 3.27Å; H79-Y99 AromaticContact CG-CD1 3.74Å; H79-Y99 AromaticContact CG-CE1 3.54Å; H79-Y99 AromaticContact CG-CZ 3.91Å; H79-Y99 AromaticContact NE2-CE1 3.82Å; H79-C104 HydrophobicContact CB-CB 4.34Å; H79-C104 WeakPolarHBondContact O-CB 3.47Å |
| 80 | G | 83.9 | Confident | 72 | Confident | 22 Ų | 22 | 95.2 Ų | 95.2 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -175.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I94 | G80-I94 CarbonylContact C-O 3.48Å; G80-I94 WeakPolarHBondContact CA-O 3.23Å |
| 81 | R | 83.1 | Confident | 72.3 | Confident | 200 Ų | 200 | 93.8 Ų | 93.8 | 76% | 0.755 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.8 | 175.4 | -61 | -148.8 | -176.9 | -170.2 | 4.4 | 110.9 | I94 | R81-I94 PolarHBondContact N-O 2.92Å; R81-I94 PolarHBondContact O-N 3.34Å |
| 82 | C | 80.6 | Confident | 73.1 | Confident | 37 Ų | 37 | 86.1 Ų | 86.1 | 25% | 0.25 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131 | 178.2 | -170.1 | 0 | 0 | 0 | 0 | 111 | C69 | C69-C82 HydrophobicContact CB-CB 3.73Å; C69-C82 WeakPolarHBondContact CB-SG 3.39Å; C69-C82 WeakPolarHBondContact SG-CB 3.4Å; C69-C82 CovalentContact SG-SG 2.01Å; C69-C82 PolarHBondContact SG-SG 3.34Å |
| 83 | R | 78.3 | Confident | 74.2 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.6 | 170.1 | 65.9 | 175 | -178.9 | 175.2 | 3.4 | 109.2 | S92 I94 | R83-S92 VanDerWaalsContact CG-O 3.28Å; R83-S92 WeakPolarHBondContact CG-O 3.26Å; R83-S92 PolarHBondContact N-O 2.97Å; R83-S92 PolarHBondContact NE-OG 3.49Å; R83-S92 PolarHBondContact NH2-OG 3.36Å; R83-S92 PolarHBondContact O-N 3.33Å; R83-I94 HydrophobicContact CG-CG1 4.27Å |
| 84 | F | 71.1 | Confident | 75.1 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.5 | 174.7 | -168.7 | -103.2 | 0 | 0 | 0 | 109.4 | Q89 | F84-Q89 HydrophobicContact CZ-CB 4.28Å |
| 85 | V | 69.5 | Low | 76 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 17% | 0.17 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 104.1 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | D87 E88 Q89 T90 | V85-D87 PolarHBondContact O-N 3.48Å; V85-E88 PolarHBondContact O-N 2.99Å; V85-Q89 PolarHBondContact O-N 3.31Å; V85-T90 PolarHBondContact N-O 3.47Å |
| 86 | A | 60.9 | Low | 76.4 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 35% | 0.347 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E88 | A86-E88 PolarHBondContact O-N 3.34Š|
| 87 | D | 59.5 | Low | 76.4 | Confident | 109 Ų | 109 | 76.8 Ų | 76.8 | 58% | 0.583 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -27.7 | -175.8 | -60.9 | -29.6 | 0 | 0 | 0 | 113.1 | V85 | V85-D87 PolarHBondContact O-N 3.48Š|
| 88 | E | 57.5 | Low | 76.2 | Confident | 144 Ų | 144 | 76.7 Ų | 76.7 | 67% | 0.673 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -4.4 | 179.3 | -69.9 | -170.4 | 163.6 | 0 | 0 | 113.6 | V85 A86 T90 | V85-E88 PolarHBondContact O-N 2.99Å; A86-E88 PolarHBondContact O-N 3.34Å; E88-T90 HydrophobicContact CB-CG2 4.37Å; E88-T90 WeakPolarHBondContact O-CG2 3.34Å; E88-T90 PolarHBondContact O-N 2.9Å; E88-T90 VanDerWaalsContact O-N 3.11Å |
| 89 | Q | 61.3 | Low | 76 | Confident | 161 Ų | 161 | 75.9 Ų | 75.9 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 22 | -172 | -72.2 | 171.2 | 66.5 | 0 | 0 | 114.5 | F84 V85 | F84-Q89 HydrophobicContact CZ-CB 4.28Å; V85-Q89 PolarHBondContact O-N 3.31Å |
| 90 | T | 65.6 | Low | 76 | Confident | 62 Ų | 62 | 77 Ų | 77 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.6 | -178.3 | 55.1 | 0 | 0 | 0 | 0 | 112 | V85 E88 | V85-T90 PolarHBondContact N-O 3.47Å; E88-T90 HydrophobicContact CB-CG2 4.37Å; E88-T90 WeakPolarHBondContact O-CG2 3.34Å; E88-T90 PolarHBondContact O-N 2.9Å; E88-T90 VanDerWaalsContact O-N 3.11Å |
| 91 | P | 72.4 | Confident | 76 | Confident | 28 Ų | 28 | 77.3 Ų | 77.3 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.6 | 171.3 | 30.4 | -32.2 | 0 | 0 | 0 | 110.1 | Y73 Y76 | Y73-P91 HydrophobicContact CD1-CG 4.1Å; Y73-P91 HydrophobicContact CE1-CG 4.34Å; Y73-P91 HydrophobicContact CG-CB 4.43Å; Y73-P91 HydrophobicContact CG-CG 4.4Å; Y76-P91 HydrophobicContact CD1-CB 4.1Å; Y76-P91 HydrophobicContact CD1-CG 4.19Å; Y76-P91 HydrophobicContact CE1-CB 4.33Å; Y76-P91 HydrophobicContact CE1-CG 4.12Å |
| 92 | S | 80.4 | Confident | 76 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.6 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | R83 | R83-S92 VanDerWaalsContact CG-O 3.28Å; R83-S92 WeakPolarHBondContact CG-O 3.26Å; R83-S92 PolarHBondContact N-O 2.97Å; R83-S92 PolarHBondContact NE-OG 3.49Å; R83-S92 PolarHBondContact NH2-OG 3.36Å; R83-S92 PolarHBondContact O-N 3.33Å |
| 93 | C | 86.4 | Confident | 76.3 | Confident | 17 Ų | 17 | 74.1 Ų | 74.1 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134 | 179 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | Y76 C77 C104 | Y76-C93 VanDerWaalsContact CD1-SG 3.56Å; C77-C93 WeakPolarHBondContact CA-SG 3.4Å; C77-C93 HydrophobicContact CB-CB 3.86Å; C77-C93 WeakPolarHBondContact CB-SG 3.27Å; C77-C93 WeakPolarHBondContact SG-CA 3.16Å; C77-C93 WeakPolarHBondContact SG-CB 3.32Å; C77-C93 CovalentContact SG-SG 2.03Å; C77-C93 PolarHBondContact SG-SG 2.86Å; C93-C104 VanDerWaalsContact CB-SG 3.56Å |
| 94 | I | 84.6 | Confident | 76.7 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 48% | 0.482 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 108.9 | 164.6 | -59 | 173.4 | 0 | 0 | 0 | 106.7 | G80 R81 R83 | G80-I94 CarbonylContact C-O 3.48Å; G80-I94 WeakPolarHBondContact CA-O 3.23Å; R81-I94 PolarHBondContact N-O 2.92Å; R81-I94 PolarHBondContact O-N 3.34Å; R83-I94 HydrophobicContact CG-CG1 4.27Å |
| 95 | C | 86.5 | Confident | 77.4 | Confident | 42 Ų | 42 | 72.2 Ų | 72.2 | 28% | 0.284 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 146.9 | -176.6 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | Y99 C104 | C95-Y99 WeakPolarHBondContact CB-O 3.46Å; C95-C104 WeakPolarHBondContact CA-SG 3.3Å; C95-C104 HydrophobicContact CB-CB 3.67Å; C95-C104 WeakPolarHBondContact CB-SG 3.42Å; C95-C104 WeakPolarHBondContact SG-CA 3.32Å; C95-C104 WeakPolarHBondContact SG-CB 3.43Å; C95-C104 CovalentContact SG-SG 2.03Å; C95-C104 PolarHBondContact SG-SG 3.05Å |
| 96 | E | 84.3 | Confident | 78 | Confident | 111 Ų | 111 | 76.7 Ų | 76.7 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 161.5 | 168.8 | -75.9 | 174.6 | -176.8 | 0 | 0 | 111.1 | H79 G98 Y99 | H79-E96 PolarHBondContact O-N 2.99Å; H79-E96 VanDerWaalsContact O-N 3.11Å; E96-G98 PolarHBondContact O-N 3.49Å; E96-Y99 HydrophobicContact CB-CD2 4.42Å; E96-Y99 PolarHBondContact O-N 3.29Å |
| 97 | K | 82 | Confident | 79 | Confident | 173 Ų | 173 | 77.8 Ų | 77.8 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 131.6 | -177.6 | -68.5 | -177.9 | -177.9 | 176.9 | 0 | 110.3 | Y99 Y111 | K97-Y99 VanDerWaalsContact C-N 3.32Å; K97-Y111 HydrophobicContact CB-CE1 4.41Å; K97-Y111 HydrophobicContact CB-CE2 4.37Å |
| 98 | G | 79.4 | Confident | 79.9 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 5.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | E96 V107 D108 | E96-G98 PolarHBondContact O-N 3.49Å; G98-V107 CarbonylContact O-C 3.54Å; G98-V107 WeakPolarHBondContact O-CA 3.33Å; G98-D108 PolarHBondContact O-N 3.32Å |
| 99 | Y | 84 | Confident | 80.4 | Confident | 77 Ų | 77 | 74.1 Ų | 74.1 | 30% | 0.302 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 143.9 | 172 | -67.9 | -95.1 | 0 | 0 | 0 | 111.3 | H79 C95 E96 K97 R106 V107 | H79-Y99 HydrophobicContact CB-CD1 3.67Å; H79-Y99 HydrophobicContact CB-CD2 4.08Å; H79-Y99 HydrophobicContact CB-CE1 3.97Å; H79-Y99 HydrophobicContact CB-CE2 4.37Å; H79-Y99 HydrophobicContact CB-CG 3.73Å; H79-Y99 AromaticContact CD2-CD1 3.59Å; H79-Y99 AromaticContact CD2-CE1 3.3Å; H79-Y99 WeakPolarHBondContact CD2-CE1 3.27Å; H79-Y99 AromaticContact CG-CD1 3.74Å; H79-Y99 AromaticContact CG-CE1 3.54Å; H79-Y99 AromaticContact CG-CZ 3.91Å; H79-Y99 AromaticContact NE2-CE1 3.82Å; C95-Y99 WeakPolarHBondContact CB-O 3.46Å; E96-Y99 HydrophobicContact CB-CD2 4.42Å; E96-Y99 PolarHBondContact O-N 3.29Å; K97-Y99 VanDerWaalsContact C-N 3.32Å; Y99-R106 CarbonylContact C-O 3.49Å; Y99-R106 VanDerWaalsContact CA-O 3.24Å; Y99-R106 WeakPolarHBondContact CA-O 3.27Å; Y99-V107 HydrophobicContact CD1-CG2 3.88Å; Y99-V107 HydrophobicContact CE1-CG2 3.47Å; Y99-V107 VanDerWaalsContact CE1-CG2 3.47Å |
| 100 | F | 84.4 | Confident | 80.6 | Confident | 92 Ų | 92 | 74.1 Ų | 74.1 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 169.9 | -179.4 | 75.6 | -79.6 | 0 | 0 | 0 | 112.8 | E105 R106 V107 D108 | F100-E105 PolarHBondContact O-N 3.14Å; F100-R106 HydrophobicContact CD1-CB 3.76Å; F100-R106 WeakPolarHBondContact CD1-O 3.48Å; F100-R106 HydrophobicContact CD2-CB 4.27Å; F100-R106 HydrophobicContact CE1-CB 3.43Å; F100-R106 VanDerWaalsContact CE1-CB 3.43Å; F100-R106 HydrophobicContact CE2-CB 3.99Å; F100-R106 HydrophobicContact CE2-CG 4.47Å; F100-R106 HydrophobicContact CG-CB 4.18Å; F100-R106 HydrophobicContact CZ-CB 3.56Å; F100-R106 HydrophobicContact CZ-CG 4.33Å; F100-R106 PolarHBondContact N-O 2.97Å; F100-R106 PolarHBondContact O-N 2.89Å; F100-R106 VanDerWaalsContact O-N 3.07Å; F100-V107 WeakPolarHBondContact CE1-O 3.23Å; F100-D108 HydrophobicContact CD1-CB 3.8Å; F100-D108 HydrophobicContact CE1-CB 4.17Å |
| 101 | G | 84.3 | Confident | 80.5 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 29% | 0.289 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 103.8 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R103 C104 | G101-R103 PolarHBondContact O-N 2.94Å; G101-R103 VanDerWaalsContact O-N 3.12Å; G101-C104 PolarHBondContact O-N 3.45Å; G101-C104 VanDerWaalsContact O-N 3.12Å |
| 102 | A | 83.2 | Confident | 80 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 103 | R | 85.9 | Confident | 79.2 | Confident | 97 Ų | 97 | 82.8 Ų | 82.8 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 7.8 | 179.2 | -63.4 | -178.6 | 68.7 | 179 | -0.8 | 113.6 | Y76 I78 G101 E105 | Y76-R103 HydrophobicContact CD1-CG 4.32Å; Y76-R103 HydrophobicContact CD2-CG 4.2Å; Y76-R103 HydrophobicContact CE1-CG 3.79Å; Y76-R103 HydrophobicContact CE2-CG 3.65Å; Y76-R103 VanDerWaalsContact CZ-CG 3.42Å; Y76-R103 PolarHBondContact O-NE 3.36Å; Y76-R103 PolarHBondContact O-NH2 3.36Å; I78-R103 PolarHBondContact N-O 3.01Å; G101-R103 PolarHBondContact O-N 2.94Å; G101-R103 VanDerWaalsContact O-N 3.12Å; R103-E105 VanDerWaalsContact C-N 3.3Å; R103-E105 PolarHBondContact O-N 2.93Å |
| 104 | C | 86.6 | Confident | 78 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 57.1 | 42.7 | -171.6 | -44.5 | 0 | 0 | 0 | 0 | 112.5 | H79 C93 C95 G101 | H79-C104 HydrophobicContact CB-CB 4.34Å; H79-C104 WeakPolarHBondContact O-CB 3.47Å; C93-C104 VanDerWaalsContact CB-SG 3.56Å; C95-C104 WeakPolarHBondContact CA-SG 3.3Å; C95-C104 HydrophobicContact CB-CB 3.67Å; C95-C104 WeakPolarHBondContact CB-SG 3.42Å; C95-C104 WeakPolarHBondContact SG-CA 3.32Å; C95-C104 WeakPolarHBondContact SG-CB 3.43Å; C95-C104 CovalentContact SG-SG 2.03Å; C95-C104 PolarHBondContact SG-SG 3.05Å; G101-C104 PolarHBondContact O-N 3.45Å; G101-C104 VanDerWaalsContact O-N 3.12Å |
| 105 | E | 86.4 | Confident | 77.1 | Confident | 99 Ų | 99 | 88.1 Ų | 88.1 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | trans | -87.3 | -22.1 | -177.2 | 73.2 | -172.6 | 173.3 | 0 | 0 | 112.9 | I78 F100 R103 | I78-E105 HydrophobicContact CD1-CB 3.88Å; F100-E105 PolarHBondContact O-N 3.14Å; R103-E105 VanDerWaalsContact C-N 3.3Å; R103-E105 PolarHBondContact O-N 2.93Å | ||
| 106 | R | 82.3 | Confident | 76.2 | Confident | 121 Ų | 121 | 94.1 Ų | 94.1 | 46% | 0.457 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.1 | -174.4 | -53.8 | -172.8 | -164 | 118.6 | 14.8 | 109.8 | Y99 F100 | Y99-R106 CarbonylContact C-O 3.49Å; Y99-R106 VanDerWaalsContact CA-O 3.24Å; Y99-R106 WeakPolarHBondContact CA-O 3.27Å; F100-R106 HydrophobicContact CD1-CB 3.76Å; F100-R106 WeakPolarHBondContact CD1-O 3.48Å; F100-R106 HydrophobicContact CD2-CB 4.27Å; F100-R106 HydrophobicContact CE1-CB 3.43Å; F100-R106 VanDerWaalsContact CE1-CB 3.43Å; F100-R106 HydrophobicContact CE2-CB 3.99Å; F100-R106 HydrophobicContact CE2-CG 4.47Å; F100-R106 HydrophobicContact CG-CB 4.18Å; F100-R106 HydrophobicContact CZ-CB 3.56Å; F100-R106 HydrophobicContact CZ-CG 4.33Å; F100-R106 PolarHBondContact N-O 2.97Å; F100-R106 PolarHBondContact O-N 2.89Å; F100-R106 VanDerWaalsContact O-N 3.07Å |
| 107 | V | 82.1 | Confident | 75.6 | Confident | 65 Ų | 65 | 90.2 Ų | 90.2 | 39% | 0.394 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127.5 | 170.8 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | G98 Y99 F100 L109 L112 | G98-V107 CarbonylContact O-C 3.54Å; G98-V107 WeakPolarHBondContact O-CA 3.33Å; Y99-V107 HydrophobicContact CD1-CG2 3.88Å; Y99-V107 HydrophobicContact CE1-CG2 3.47Å; Y99-V107 VanDerWaalsContact CE1-CG2 3.47Å; F100-V107 WeakPolarHBondContact CE1-O 3.23Å; V107-L109 PolarHBondContact O-N 2.94Å; V107-L112 HydrophobicContact CG1-CD1 3.66Å; V107-L112 HydrophobicContact CG1-CG 4.48Å |
| 108 | D | 78.8 | Confident | 75.3 | Confident | 56 Ų | 56 | 87 Ų | 87 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | trans | -69.7 | 100.6 | 174.7 | -167.8 | -9.7 | 0 | 0 | 0 | 108.9 | G98 F100 F110 Y111 L112 | G98-D108 PolarHBondContact O-N 3.32Å; F100-D108 HydrophobicContact CD1-CB 3.8Å; F100-D108 HydrophobicContact CE1-CB 4.17Å; D108-F110 PolarHBondContact O-N 3.38Å; D108-F110 VanDerWaalsContact OD1-CB 3.28Å; D108-F110 WeakPolarHBondContact OD1-CB 3.25Å; D108-F110 PolarHBondContact OD1-N 2.93Å; D108-Y111 VanDerWaalsContact O-CB 3.31Å; D108-Y111 WeakPolarHBondContact O-CB 3.43Å; D108-Y111 PolarHBondContact O-N 3.49Å; D108-L112 PolarHBondContact O-N 3.36Å | ||
| 109 | L | 67.5 | Low | 75.3 | Confident | 120 Ų | 120 | 90.4 Ų | 90.4 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.6 | -29 | 177.9 | -152.9 | 75.1 | 0 | 0 | 0 | 110.6 | V107 Y111 L112 Q113 | V107-L109 PolarHBondContact O-N 2.94Å; L109-Y111 VanDerWaalsContact C-N 3.33Å; L109-L112 PolarHBondContact O-N 3.5Å; L109-Q113 WeakPolarHBondContact O-CB 3.35Å; L109-Q113 PolarHBondContact O-N 3.24Å |
| 110 | F | 64.8 | Low | 75.1 | Confident | 161 Ų | 161 | 92.1 Ų | 92.1 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.7 | -29.9 | 174.1 | -65.8 | -87.2 | 0 | 0 | 0 | 112.1 | D108 Q113 Q114 | D108-F110 PolarHBondContact O-N 3.38Å; D108-F110 VanDerWaalsContact OD1-CB 3.28Å; D108-F110 WeakPolarHBondContact OD1-CB 3.25Å; D108-F110 PolarHBondContact OD1-N 2.93Å; F110-Q113 PolarHBondContact O-N 2.92Å; F110-Q114 WeakPolarHBondContact O-CB 3.43Å; F110-Q114 PolarHBondContact O-N 3.46Å |
| 111 | Y | 64.4 | Low | 74.9 | Confident | 114 Ų | 114 | 91.7 Ų | 91.7 | 45% | 0.447 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 173.2 | -173.8 | -102.4 | 0 | 0 | 0 | 111.4 | K97 D108 L109 Q113 D115 | K97-Y111 HydrophobicContact CB-CE1 4.41Å; K97-Y111 HydrophobicContact CB-CE2 4.37Å; D108-Y111 VanDerWaalsContact O-CB 3.31Å; D108-Y111 WeakPolarHBondContact O-CB 3.43Å; D108-Y111 PolarHBondContact O-N 3.49Å; L109-Y111 VanDerWaalsContact C-N 3.33Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 3.43Å; Y111-D115 PolarHBondContact O-N 3.41Å |
| 112 | L | 62.3 | Low | 74.7 | Confident | 68 Ų | 68 | 95.5 Ų | 95.5 | 36% | 0.356 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 172.7 | -80.7 | 163.1 | 0 | 0 | 0 | 112.1 | V107 D108 L109 R116 | V107-L112 HydrophobicContact CG1-CD1 3.66Å; V107-L112 HydrophobicContact CG1-CG 4.48Å; D108-L112 PolarHBondContact O-N 3.36Å; L109-L112 PolarHBondContact O-N 3.5Å; L112-R116 VanDerWaalsContact O-CB 3.25Å; L112-R116 WeakPolarHBondContact O-CB 3.3Å; L112-R116 WeakPolarHBondContact O-CG 3.43Å; L112-R116 PolarHBondContact O-N 2.98Å |
| 113 | Q | 62.6 | Low | 74.8 | Confident | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -78.7 | -30 | -178.4 | -166.7 | 163.4 | 6.6 | 0 | 0 | 112.8 | L109 F110 Y111 G117 | L109-Q113 WeakPolarHBondContact O-CB 3.35Å; L109-Q113 PolarHBondContact O-N 3.24Å; F110-Q113 PolarHBondContact O-N 2.92Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 3.43Å; Q113-G117 VanDerWaalsContact O-CA 3.25Å; Q113-G117 WeakPolarHBondContact O-CA 3.4Å; Q113-G117 PolarHBondContact O-N 2.97Å |
| 114 | Q | 62.3 | Low | 74.8 | Confident | 129 Ų | 129 | 96 Ų | 96 | 60% | 0.603 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -45.8 | 171.7 | -169.7 | 84.9 | -43.3 | 0 | 0 | 110.1 | F110 Q118 | F110-Q114 WeakPolarHBondContact O-CB 3.43Å; F110-Q114 PolarHBondContact O-N 3.46Å; Q114-Q118 WeakPolarHBondContact O-CB 3.28Å; Q114-Q118 VanDerWaalsContact O-CG 3.23Å; Q114-Q118 WeakPolarHBondContact O-CG 3.26Å; Q114-Q118 PolarHBondContact O-N 3.41Å |
| 115 | D | 64.5 | Low | 74.8 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -49.1 | 178.7 | -163.9 | 35.2 | 0 | 0 | 0 | 111.2 | Y111 G117 Q118 I119 | Y111-D115 PolarHBondContact O-N 3.41Å; D115-G117 PolarHBondContact O-N 3.29Å; D115-Q118 PolarHBondContact O-N 3.39Å; D115-I119 WeakPolarHBondContact O-CB 3.42Å; D115-I119 WeakPolarHBondContact O-CD1 3.32Å; D115-I119 WeakPolarHBondContact O-CG1 3.29Å; D115-I119 PolarHBondContact O-N 3.44Å |
| 116 | R | 67.7 | Low | 74.6 | Confident | 167 Ų | 167 | 97 Ų | 97 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -36.6 | 177.1 | -69.8 | -177.3 | -174 | -164.8 | 3.6 | 113.1 | L112 I119 L120 | L112-R116 VanDerWaalsContact O-CB 3.25Å; L112-R116 WeakPolarHBondContact O-CB 3.3Å; L112-R116 WeakPolarHBondContact O-CG 3.43Å; L112-R116 PolarHBondContact O-N 2.98Å; R116-I119 PolarHBondContact O-N 2.96Å; R116-L120 WeakPolarHBondContact O-CB 3.35Å; R116-L120 WeakPolarHBondContact O-CG 3.46Å; R116-L120 PolarHBondContact O-N 3.2Å |
| 117 | G | 71.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 95.5 Ų | 95.5 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q113 D115 L120 V121 | Q113-G117 VanDerWaalsContact O-CA 3.25Å; Q113-G117 WeakPolarHBondContact O-CA 3.4Å; Q113-G117 PolarHBondContact O-N 2.97Å; D115-G117 PolarHBondContact O-N 3.29Å; G117-L120 PolarHBondContact O-N 2.94Å; G117-V121 VanDerWaalsContact O-CG2 3.27Å; G117-V121 WeakPolarHBondContact O-CG2 3.26Å; G117-V121 PolarHBondContact O-N 2.93Å |
| 118 | Q | 75.8 | Confident | 75 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.5 | -72 | -175.8 | 34.5 | 0 | 0 | 111.8 | Q114 D115 L120 V121 I122 | Q114-Q118 WeakPolarHBondContact O-CB 3.28Å; Q114-Q118 VanDerWaalsContact O-CG 3.23Å; Q114-Q118 WeakPolarHBondContact O-CG 3.26Å; Q114-Q118 PolarHBondContact O-N 3.41Å; D115-Q118 PolarHBondContact O-N 3.39Å; Q118-L120 PolarHBondContact O-N 3.26Å; Q118-V121 PolarHBondContact O-N 2.9Å; Q118-I122 WeakPolarHBondContact O-CD1 3.27Å; Q118-I122 VanDerWaalsContact O-CG1 3.23Å; Q118-I122 WeakPolarHBondContact O-CG1 3.38Å; Q118-I122 PolarHBondContact O-N 3.32Å |
| 119 | I | 79.4 | Confident | 75.3 | Confident | 83 Ų | 83 | 98.2 Ų | 98.2 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.1 | -67.9 | 163.1 | 0 | 0 | 0 | 111 | D115 R116 V121 I122 C123 | D115-I119 WeakPolarHBondContact O-CB 3.42Å; D115-I119 WeakPolarHBondContact O-CD1 3.32Å; D115-I119 WeakPolarHBondContact O-CG1 3.29Å; D115-I119 PolarHBondContact O-N 3.44Å; R116-I119 PolarHBondContact O-N 2.96Å; I119-V121 PolarHBondContact O-N 2.89Å; I119-I122 PolarHBondContact O-N 3.49Å; I119-C123 WeakPolarHBondContact O-CB 3.16Å; I119-C123 PolarHBondContact O-N 3.28Å; I119-C123 PolarHBondContact O-SG 2.91Å |
| 120 | L | 80.1 | Confident | 76.1 | Confident | 112 Ų | 112 | 97.1 Ų | 97.1 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 177.9 | -73.5 | 173.2 | 0 | 0 | 0 | 112 | R116 G117 Q118 C123 L124 | R116-L120 WeakPolarHBondContact O-CB 3.35Å; R116-L120 WeakPolarHBondContact O-CG 3.46Å; R116-L120 PolarHBondContact O-N 3.2Å; G117-L120 PolarHBondContact O-N 2.94Å; Q118-L120 PolarHBondContact O-N 3.26Å; L120-C123 PolarHBondContact O-N 2.91Å; L120-L124 WeakPolarHBondContact O-CB 3.3Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.25Å |
| 121 | V | 80.9 | Confident | 76.9 | Confident | 83 Ų | 83 | 95.5 Ų | 95.5 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | G117 Q118 I119 C123 L124 I125 | G117-V121 VanDerWaalsContact O-CG2 3.27Å; G117-V121 WeakPolarHBondContact O-CG2 3.26Å; G117-V121 PolarHBondContact O-N 2.93Å; Q118-V121 PolarHBondContact O-N 2.9Å; I119-V121 PolarHBondContact O-N 2.89Å; V121-C123 PolarHBondContact O-N 3.5Å; V121-L124 PolarHBondContact O-N 3.27Å; V121-I125 HydrophobicContact CG1-CD1 3.83Å; V121-I125 VanDerWaalsContact O-CG1 3.27Å; V121-I125 WeakPolarHBondContact O-CG1 3.35Å; V121-I125 PolarHBondContact O-N 3.45Å |
| 122 | I | 80.1 | Confident | 77.9 | Confident | 108 Ų | 108 | 94.6 Ų | 94.6 | 55% | 0.554 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 177.1 | -66.6 | 163.9 | 0 | 0 | 0 | 110.9 | Q118 I119 L124 I125 A126 | Q118-I122 WeakPolarHBondContact O-CD1 3.27Å; Q118-I122 VanDerWaalsContact O-CG1 3.23Å; Q118-I122 WeakPolarHBondContact O-CG1 3.38Å; Q118-I122 PolarHBondContact O-N 3.32Å; I119-I122 PolarHBondContact O-N 3.49Å; I122-L124 PolarHBondContact O-N 3.43Å; I122-I125 PolarHBondContact O-N 2.89Å; I122-A126 WeakPolarHBondContact O-CB 3.2Å; I122-A126 PolarHBondContact O-N 3.19Å |
| 123 | C | 84.7 | Confident | 78.8 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.4 | -75.7 | 0 | 0 | 0 | 0 | 112 | I119 L120 V121 A126 V127 | I119-C123 WeakPolarHBondContact O-CB 3.16Å; I119-C123 PolarHBondContact O-N 3.28Å; I119-C123 PolarHBondContact O-SG 2.91Å; L120-C123 PolarHBondContact O-N 2.91Å; V121-C123 PolarHBondContact O-N 3.5Å; C123-A126 PolarHBondContact O-N 2.97Å; C123-V127 VanDerWaalsContact O-CG2 3.3Å; C123-V127 WeakPolarHBondContact O-CG2 3.27Å; C123-V127 PolarHBondContact O-N 3.43Å |
| 124 | L | 86.3 | Confident | 79.7 | Confident | 113 Ų | 113 | 96 Ų | 96 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 177.7 | -73.7 | 171.6 | 0 | 0 | 0 | 111.6 | L120 V121 I122 A126 V127 M128 | L120-L124 WeakPolarHBondContact O-CB 3.3Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.25Å; V121-L124 PolarHBondContact O-N 3.27Å; I122-L124 PolarHBondContact O-N 3.43Å; L124-A126 VanDerWaalsContact C-N 3.35Å; L124-A126 PolarHBondContact O-N 2.94Å; L124-V127 PolarHBondContact O-N 3.36Å; L124-M128 WeakPolarHBondContact O-CG 3.46Å; L124-M128 PolarHBondContact O-N 2.9Å |
| 125 | I | 85.7 | Confident | 80.6 | Confident | 68 Ų | 68 | 92.9 Ų | 92.9 | 35% | 0.349 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.4 | -66.4 | 164.5 | 0 | 0 | 0 | 110.2 | L26 V121 I122 V127 M128 V129 | L26-I125 HydrophobicContact CD1-CD1 4.16Å; L26-I125 HydrophobicContact CD1-CG2 4.48Å; V121-I125 HydrophobicContact CG1-CD1 3.83Å; V121-I125 VanDerWaalsContact O-CG1 3.27Å; V121-I125 WeakPolarHBondContact O-CG1 3.35Å; V121-I125 PolarHBondContact O-N 3.45Å; I122-I125 PolarHBondContact O-N 2.89Å; I125-V127 PolarHBondContact O-N 3.35Å; I125-M128 PolarHBondContact O-N 2.83Å; I125-V129 HydrophobicContact CG2-CG2 4.35Å; I125-V129 WeakPolarHBondContact O-CG2 3.18Å; I125-V129 PolarHBondContact O-N 3.49Å |
| 126 | A | 82.9 | Confident | 81.4 | Confident | 52 Ų | 52 | 90.7 Ų | 90.7 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I122 C123 L124 M128 V129 V130 | I122-A126 WeakPolarHBondContact O-CB 3.2Å; I122-A126 PolarHBondContact O-N 3.19Å; C123-A126 PolarHBondContact O-N 2.97Å; L124-A126 VanDerWaalsContact C-N 3.35Å; L124-A126 PolarHBondContact O-N 2.94Å; A126-M128 PolarHBondContact O-N 3.41Å; A126-V129 PolarHBondContact O-N 3.2Å; A126-V130 VanDerWaalsContact O-CG2 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.48Å; A126-V130 PolarHBondContact O-N 2.94Å |
| 127 | V | 86.8 | Confident | 81.7 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 53% | 0.533 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 177 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | C123 L124 I125 V129 V130 F131 | C123-V127 VanDerWaalsContact O-CG2 3.3Å; C123-V127 WeakPolarHBondContact O-CG2 3.27Å; C123-V127 PolarHBondContact O-N 3.43Å; L124-V127 PolarHBondContact O-N 3.36Å; I125-V127 PolarHBondContact O-N 3.35Å; V127-V129 PolarHBondContact O-N 3.4Å; V127-V130 PolarHBondContact O-N 2.87Å; V127-F131 WeakPolarHBondContact O-CB 3.32Å; V127-F131 PolarHBondContact O-N 3.13Å |
| 128 | M | 85.3 | Confident | 81.9 | Confident | 107 Ų | 107 | 86.8 Ų | 86.8 | 53% | 0.527 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 177.7 | -70.3 | -60.6 | 116.1 | 0 | 0 | 112 | L124 I125 A126 F131 I132 | L124-M128 WeakPolarHBondContact O-CG 3.46Å; L124-M128 PolarHBondContact O-N 2.9Å; I125-M128 PolarHBondContact O-N 2.83Å; A126-M128 PolarHBondContact O-N 3.41Å; M128-F131 PolarHBondContact O-N 2.83Å; M128-I132 VanDerWaalsContact O-CG1 3.27Å; M128-I132 WeakPolarHBondContact O-CG1 3.39Å; M128-I132 PolarHBondContact O-N 3.26Å |
| 129 | V | 85.1 | Confident | 81.7 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | I125 A126 V127 F131 I132 I133 | I125-V129 HydrophobicContact CG2-CG2 4.35Å; I125-V129 WeakPolarHBondContact O-CG2 3.18Å; I125-V129 PolarHBondContact O-N 3.49Å; A126-V129 PolarHBondContact O-N 3.2Å; V127-V129 PolarHBondContact O-N 3.4Å; V129-F131 VanDerWaalsContact C-N 3.32Å; V129-F131 PolarHBondContact O-N 2.79Å; V129-I132 PolarHBondContact O-N 3.33Å; V129-I133 HydrophobicContact CG1-CD1 3.86Å; V129-I133 WeakPolarHBondContact O-CG1 3.5Å; V129-I133 PolarHBondContact O-N 3.01Å |
| 130 | V | 84.1 | Confident | 81.3 | Confident | 97 Ų | 97 | 85.6 Ų | 85.6 | 59% | 0.588 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 177 | 171 | 0 | 0 | 0 | 0 | 111.1 | A126 V127 I132 I133 L134 | A126-V130 VanDerWaalsContact O-CG2 3.29Å; A126-V130 WeakPolarHBondContact O-CG2 3.48Å; A126-V130 PolarHBondContact O-N 2.94Å; V127-V130 PolarHBondContact O-N 2.87Å; V130-I132 PolarHBondContact O-N 2.87Å; V130-I133 PolarHBondContact O-N 2.81Å; V130-L134 WeakPolarHBondContact O-CB 3.3Å; V130-L134 PolarHBondContact O-N 2.7Å |
| 131 | F | 82.7 | Confident | 80.4 | Confident | 127 Ų | 127 | 84 Ų | 84 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -43.4 | 177 | -175 | -105.2 | 0 | 0 | 0 | 112 | V127 M128 V129 I133 L134 V135 | V127-F131 WeakPolarHBondContact O-CB 3.32Å; V127-F131 PolarHBondContact O-N 3.13Å; M128-F131 PolarHBondContact O-N 2.83Å; V129-F131 VanDerWaalsContact C-N 3.32Å; V129-F131 PolarHBondContact O-N 2.79Å; F131-I133 PolarHBondContact O-N 3.36Å; F131-L134 PolarHBondContact O-N 3.36Å; F131-V135 HydrophobicContact CD1-CG2 4.24Å; F131-V135 HydrophobicContact CE1-CG2 3.9Å; F131-V135 HydrophobicContact CE2-CG2 4.39Å; F131-V135 HydrophobicContact CZ-CG2 3.98Å; F131-V135 VanDerWaalsContact O-CG2 3.3Å; F131-V135 WeakPolarHBondContact O-CG2 3.37Å; F131-V135 PolarHBondContact O-N 3.42Å |
| 132 | I | 84.8 | Confident | 79.5 | Confident | 95 Ų | 95 | 82.7 Ų | 82.7 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.9 | -68.6 | 164.1 | 0 | 0 | 0 | 110.8 | M128 V129 V130 L134 V135 I136 | M128-I132 VanDerWaalsContact O-CG1 3.27Å; M128-I132 WeakPolarHBondContact O-CG1 3.39Å; M128-I132 PolarHBondContact O-N 3.26Å; V129-I132 PolarHBondContact O-N 3.33Å; V130-I132 PolarHBondContact O-N 2.87Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 2.98Å; I132-V135 PolarHBondContact O-N 2.88Å; I132-I136 HydrophobicContact CG2-CD1 3.64Å; I132-I136 HydrophobicContact CG2-CG1 4.44Å; I132-I136 WeakPolarHBondContact O-CD1 3.25Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.41Å; I132-I136 PolarHBondContact O-N 2.92Å |
| 133 | I | 81.8 | Confident | 78.6 | Confident | 108 Ų | 108 | 84 Ų | 84 | 55% | 0.554 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 177.2 | -66.5 | 166.8 | 0 | 0 | 0 | 110.7 | V129 V130 F131 I136 G137 | V129-I133 HydrophobicContact CG1-CD1 3.86Å; V129-I133 WeakPolarHBondContact O-CG1 3.5Å; V129-I133 PolarHBondContact O-N 3.01Å; V130-I133 PolarHBondContact O-N 2.81Å; F131-I133 PolarHBondContact O-N 3.36Å; I133-I136 PolarHBondContact O-N 2.9Å; I133-G137 PolarHBondContact O-N 3.39Å |
| 134 | L | 81 | Confident | 77.5 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 177.2 | -175.7 | 68.9 | 0 | 0 | 0 | 111.3 | V130 F131 I132 I136 G137 V138 | V130-L134 WeakPolarHBondContact O-CB 3.3Å; V130-L134 PolarHBondContact O-N 2.7Å; F131-L134 PolarHBondContact O-N 3.36Å; I132-L134 VanDerWaalsContact C-N 3.32Å; I132-L134 PolarHBondContact O-N 2.98Å; L134-I136 PolarHBondContact O-N 2.87Å; L134-G137 PolarHBondContact O-N 3.37Å; L134-V138 HydrophobicContact CD1-CG2 4.41Å; L134-V138 HydrophobicContact CG-CG2 4.47Å; L134-V138 WeakPolarHBondContact O-CB 3.43Å; L134-V138 VanDerWaalsContact O-CG2 3.3Å; L134-V138 WeakPolarHBondContact O-CG2 3.13Å; L134-V138 PolarHBondContact O-N 3.46Å |
| 135 | V | 80.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | F131 I132 C139 | F131-V135 HydrophobicContact CD1-CG2 4.24Å; F131-V135 HydrophobicContact CE1-CG2 3.9Å; F131-V135 HydrophobicContact CE2-CG2 4.39Å; F131-V135 HydrophobicContact CZ-CG2 3.98Å; F131-V135 VanDerWaalsContact O-CG2 3.3Å; F131-V135 WeakPolarHBondContact O-CG2 3.37Å; F131-V135 PolarHBondContact O-N 3.42Å; I132-V135 PolarHBondContact O-N 2.88Å; V135-C139 WeakPolarHBondContact O-CB 3.23Å; V135-C139 PolarHBondContact O-N 3.33Å; V135-C139 PolarHBondContact O-SG 3.35Å |
| 136 | I | 81.5 | Confident | 74.7 | Confident | 49 Ų | 49 | 88.8 Ų | 88.8 | 25% | 0.251 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.8 | -64.9 | 159.2 | 0 | 0 | 0 | 110.2 | L15 I132 I133 L134 C139 T140 | L15-I136 HydrophobicContact CD1-CD1 3.76Å; L15-I136 HydrophobicContact CD1-CG1 4.3Å; I132-I136 HydrophobicContact CG2-CD1 3.64Å; I132-I136 HydrophobicContact CG2-CG1 4.44Å; I132-I136 WeakPolarHBondContact O-CD1 3.25Å; I132-I136 VanDerWaalsContact O-CG1 3.26Å; I132-I136 WeakPolarHBondContact O-CG1 3.41Å; I132-I136 PolarHBondContact O-N 2.92Å; I133-I136 PolarHBondContact O-N 2.9Å; L134-I136 PolarHBondContact O-N 2.87Å; I136-C139 PolarHBondContact O-N 2.92Å; I136-T140 HydrophobicContact CG2-CG2 4.02Å; I136-T140 VanDerWaalsContact O-CB 3.27Å; I136-T140 WeakPolarHBondContact O-CB 3.46Å; I136-T140 WeakPolarHBondContact O-CG2 3.29Å; I136-T140 PolarHBondContact O-N 2.93Å; I136-T140 PolarHBondContact O-OG1 3.48Å |
| 137 | G | 74.7 | Confident | 73.5 | Confident | 34 Ų | 34 | 91.7 Ų | 91.7 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I133 L134 T140 C141 | I133-G137 PolarHBondContact O-N 3.39Å; L134-G137 PolarHBondContact O-N 3.37Å; G137-T140 WeakPolarHBondContact CA-OG1 3.34Å; G137-T140 PolarHBondContact O-OG1 2.85Å; G137-T140 VanDerWaalsContact O-OG1 3.08Å; G137-C141 WeakPolarHBondContact O-CB 3.29Å; G137-C141 PolarHBondContact O-N 3.08Å |
| 138 | V | 75 | Confident | 72.3 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L134 C141 C142 | L134-V138 HydrophobicContact CD1-CG2 4.41Å; L134-V138 HydrophobicContact CG-CG2 4.47Å; L134-V138 WeakPolarHBondContact O-CB 3.43Å; L134-V138 VanDerWaalsContact O-CG2 3.3Å; L134-V138 WeakPolarHBondContact O-CG2 3.13Å; L134-V138 PolarHBondContact O-N 3.46Å; V138-C141 PolarHBondContact O-N 3.08Å; V138-C142 WeakPolarHBondContact O-CB 3.44Å; V138-C142 PolarHBondContact O-N 2.89Å; V138-C142 PolarHBondContact O-SG 3.48Å |
| 139 | C | 71.4 | Confident | 71 | Confident | 75 Ų | 75 | 98 Ų | 98 | 51% | 0.507 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 177.3 | -75.3 | 0 | 0 | 0 | 0 | 111.4 | V135 I136 C141 C142 H143 | V135-C139 WeakPolarHBondContact O-CB 3.23Å; V135-C139 PolarHBondContact O-N 3.33Å; V135-C139 PolarHBondContact O-SG 3.35Å; I136-C139 PolarHBondContact O-N 2.92Å; C139-C141 VanDerWaalsContact C-N 3.35Å; C139-C141 PolarHBondContact O-N 3.33Å; C139-C142 PolarHBondContact O-N 3.01Å; C139-H143 VanDerWaalsContact O-CB 3.23Å; C139-H143 WeakPolarHBondContact O-CB 3.34Å; C139-H143 PolarHBondContact O-N 3.46Å |
| 140 | T | 70.9 | Confident | 69.8 | Low | 87 Ų | 87 | 102.2 Ų | 102.2 | 53% | 0.534 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -26.9 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | I136 G137 P144 | I136-T140 HydrophobicContact CG2-CG2 4.02Å; I136-T140 VanDerWaalsContact O-CB 3.27Å; I136-T140 WeakPolarHBondContact O-CB 3.46Å; I136-T140 WeakPolarHBondContact O-CG2 3.29Å; I136-T140 PolarHBondContact O-N 2.93Å; I136-T140 PolarHBondContact O-OG1 3.48Å; G137-T140 WeakPolarHBondContact CA-OG1 3.34Å; G137-T140 PolarHBondContact O-OG1 2.85Å; G137-T140 VanDerWaalsContact O-OG1 3.08Å; T140-P144 WeakPolarHBondContact O-CD 3.17Å; T140-P144 WeakPolarHBondContact O-CG 2.78Å |
| 141 | C | 62.6 | Low | 68.7 | Low | 79 Ų | 79 | 103.9 Ų | 103.9 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -79.6 | -39 | 173 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | G137 V138 C139 P144 L145 | G137-C141 WeakPolarHBondContact O-CB 3.29Å; G137-C141 PolarHBondContact O-N 3.08Å; V138-C141 PolarHBondContact O-N 3.08Å; C139-C141 VanDerWaalsContact C-N 3.35Å; C139-C141 PolarHBondContact O-N 3.33Å; C141-P144 WeakPolarHBondContact O-CD 3.14Å; C141-L145 WeakPolarHBondContact O-CD1 3.47Å; C141-L145 WeakPolarHBondContact O-CG 3.14Å |
| 142 | C | 61.3 | Low | 67.7 | Low | 55 Ų | 55 | 107 Ų | 107 | 37% | 0.372 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75.7 | -32 | -179.7 | -68.7 | 0 | 0 | 0 | 0 | 113.2 | V138 C139 R146 | V138-C142 WeakPolarHBondContact O-CB 3.44Å; V138-C142 PolarHBondContact O-N 2.89Å; V138-C142 PolarHBondContact O-SG 3.48Å; C139-C142 PolarHBondContact O-N 3.01Å; C142-R146 WeakPolarHBondContact O-CB 3.26Å; C142-R146 VanDerWaalsContact O-CG 3.29Å; C142-R146 WeakPolarHBondContact O-CG 3.28Å; C142-R146 PolarHBondContact O-N 2.9Å |
| 143 | H | 61.3 | Low | 66.6 | Low | 137 Ų | 137 | 110.1 Ų | 110.1 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -48.1 | -177.7 | -148.7 | -102.2 | 0 | 0 | 0 | 114.7 | C139 R146 K147 | C139-H143 VanDerWaalsContact O-CB 3.23Å; C139-H143 WeakPolarHBondContact O-CB 3.34Å; C139-H143 PolarHBondContact O-N 3.46Å; H143-R146 PolarHBondContact O-N 2.82Å; H143-K147 WeakPolarHBondContact O-CB 3.36Å; H143-K147 PolarHBondContact O-N 3.3Å |
| 144 | P | 60.8 | Low | 66 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 177.4 | 27 | -33.2 | 0 | 0 | 0 | 111.5 | T140 C141 K147 H148 | T140-P144 WeakPolarHBondContact O-CD 3.17Å; T140-P144 WeakPolarHBondContact O-CG 2.78Å; C141-P144 WeakPolarHBondContact O-CD 3.14Å; P144-K147 PolarHBondContact O-N 3.02Å; P144-H148 WeakPolarHBondContact O-CB 3.45Å; P144-H148 PolarHBondContact O-N 3.07Å |
| 145 | L | 56.5 | Low | 65.4 | Low | 103 Ų | 103 | 110.3 Ų | 110.3 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176 | -69.6 | 174.5 | 0 | 0 | 0 | 112.1 | C141 R149 | C141-L145 WeakPolarHBondContact O-CD1 3.47Å; C141-L145 WeakPolarHBondContact O-CG 3.14Å; L145-R149 VanDerWaalsContact O-CB 3.28Å; L145-R149 WeakPolarHBondContact O-CB 3.42Å; L145-R149 VanDerWaalsContact O-CG 3.26Å; L145-R149 WeakPolarHBondContact O-CG 3.44Å; L145-R149 PolarHBondContact O-N 3.2Å |
| 146 | R | 58.1 | Low | 64.7 | Low | 182 Ų | 182 | 112.1 Ų | 112.1 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 173.1 | -76.5 | -177.4 | 178.9 | -155.7 | 1.1 | 111.8 | C142 H143 K150 | C142-R146 WeakPolarHBondContact O-CB 3.26Å; C142-R146 VanDerWaalsContact O-CG 3.29Å; C142-R146 WeakPolarHBondContact O-CG 3.28Å; C142-R146 PolarHBondContact O-N 2.9Å; H143-R146 PolarHBondContact O-N 2.82Å; R146-K150 WeakPolarHBondContact O-CB 3.34Å; R146-K150 WeakPolarHBondContact O-CG 3.43Å; R146-K150 PolarHBondContact O-N 2.88Å |
| 147 | K | 57.5 | Low | 64.1 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.2 | -43.5 | 176.9 | -164.4 | 174.4 | -177.4 | 179.8 | 0 | 111.7 | H143 P144 K150 K151 | H143-K147 WeakPolarHBondContact O-CB 3.36Å; H143-K147 PolarHBondContact O-N 3.3Å; P144-K147 PolarHBondContact O-N 3.02Å; K147-K150 PolarHBondContact O-N 3.11Å; K147-K151 WeakPolarHBondContact O-CG 3.48Å; K147-K151 PolarHBondContact O-N 3.17Å |
| 148 | H | 60.3 | Low | 63.8 | Low | 140 Ų | 140 | 122.9 Ų | 122.9 | 65% | 0.648 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.4 | -42.6 | 174.8 | -106.8 | -90.1 | 0 | 0 | 0 | 112.5 | P144 K150 K151 R152 | P144-H148 WeakPolarHBondContact O-CB 3.45Å; P144-H148 PolarHBondContact O-N 3.07Å; H148-K150 PolarHBondContact O-N 3.03Å; H148-K151 PolarHBondContact O-N 3Å; H148-R152 WeakPolarHBondContact O-CB 3.43Å; H148-R152 PolarHBondContact O-N 3.32Å |
| 149 | R | 59.6 | Low | 63.4 | Low | 188 Ų | 188 | 122.7 Ų | 122.7 | 71% | 0.709 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.2 | -38.5 | 176.8 | -77.7 | -174.3 | 175 | -149 | -0.2 | 112.4 | L145 K153 | L145-R149 VanDerWaalsContact O-CB 3.28Å; L145-R149 WeakPolarHBondContact O-CB 3.42Å; L145-R149 VanDerWaalsContact O-CG 3.26Å; L145-R149 WeakPolarHBondContact O-CG 3.44Å; L145-R149 PolarHBondContact O-N 3.2Å; R149-K153 WeakPolarHBondContact O-CB 3.46Å; R149-K153 WeakPolarHBondContact O-CG 3.24Å; R149-K153 PolarHBondContact O-N 2.81Å |
| 150 | K | 59.9 | Low | 63.2 | Low | 159 Ų | 159 | 124 Ų | 124 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -45.6 | 174.5 | -76.7 | -176.1 | 179.2 | -171.6 | 0 | 111.6 | R146 K147 H148 K153 E154 | R146-K150 WeakPolarHBondContact O-CB 3.34Å; R146-K150 WeakPolarHBondContact O-CG 3.43Å; R146-K150 PolarHBondContact O-N 2.88Å; K147-K150 PolarHBondContact O-N 3.11Å; H148-K150 PolarHBondContact O-N 3.03Å; K150-K153 PolarHBondContact O-N 3.09Å; K150-E154 PolarHBondContact O-N 3.09Å; K150-E154 VanDerWaalsContact O-N 3.08Å |
| 151 | K | 60.6 | Low | 62.6 | Low | 133 Ų | 133 | 122 Ų | 122 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.3 | -47.7 | 175.7 | -73.9 | -174.4 | 175.1 | -166.5 | 0 | 112.2 | K147 H148 K153 E154 E155 | K147-K151 WeakPolarHBondContact O-CG 3.48Å; K147-K151 PolarHBondContact O-N 3.17Å; H148-K151 PolarHBondContact O-N 3Å; K151-K153 PolarHBondContact O-N 3.32Å; K151-E154 PolarHBondContact O-N 3.16Å; K151-E155 PolarHBondContact O-N 3.04Å |
| 152 | R | 60.5 | Low | 62.4 | Low | 191 Ų | 191 | 127 Ų | 127 | 72% | 0.721 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 178.3 | -164.2 | -175.9 | -171.6 | -126.6 | 3 | 112.8 | H148 N156 | H148-R152 WeakPolarHBondContact O-CB 3.43Å; H148-R152 PolarHBondContact O-N 3.32Å; R152-N156 VanDerWaalsContact O-CB 3.3Å; R152-N156 WeakPolarHBondContact O-CB 3.49Å; R152-N156 PolarHBondContact O-N 2.99Å |
| 153 | K | 63.2 | Low | 62.1 | Low | 162 Ų | 162 | 131.2 Ų | 131.2 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.1 | -36.5 | 176.6 | -79.3 | -175 | 176.7 | -167.6 | 0 | 112.5 | R149 K150 K151 R157 | R149-K153 WeakPolarHBondContact O-CB 3.46Å; R149-K153 WeakPolarHBondContact O-CG 3.24Å; R149-K153 PolarHBondContact O-N 2.81Å; K150-K153 PolarHBondContact O-N 3.09Å; K151-K153 PolarHBondContact O-N 3.32Å; K153-R157 WeakPolarHBondContact O-CB 3.37Å; K153-R157 PolarHBondContact O-N 2.91Å; K153-R157 VanDerWaalsContact O-N 3.16Å |
| 154 | E | 69.4 | Low | 61.8 | Low | 89 Ų | 89 | 131.9 Ų | 131.9 | 42% | 0.416 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.4 | -38.7 | 178.9 | -171 | 168.1 | 152.8 | 0 | 0 | 112.5 | K150 K151 R157 K158 | K150-E154 PolarHBondContact O-N 3.09Å; K150-E154 VanDerWaalsContact O-N 3.08Å; K151-E154 PolarHBondContact O-N 3.16Å; E154-R157 PolarHBondContact O-N 3.35Å; E154-K158 HydrophobicContact CG-CD 4.49Å; E154-K158 WeakPolarHBondContact O-CG 3.3Å; E154-K158 PolarHBondContact O-N 3.07Å; E154-K158 VanDerWaalsContact O-N 3.09Å; E154-K158 WeakPolarHBondContact OE1-CE 3.45Å; E154-K158 IonicContact OE1-NZ 2.84Å; E154-K158 PolarHBondContact OE1-NZ 3.4Å |
| 155 | E | 67.6 | Low | 61.2 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.7 | -46 | 172.1 | -171.1 | 179.4 | 172.6 | 0 | 0 | 111.3 | K151 R157 K158 T159 | K151-E155 PolarHBondContact O-N 3.04Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 2.84Å; E155-K158 PolarHBondContact O-N 2.77Å; E155-K158 VanDerWaalsContact O-N 3.09Å; E155-T159 PolarHBondContact O-N 3.45Å; E155-T159 PolarHBondContact O-OG1 3.27Å |
| 156 | N | 65.3 | Low | 60.7 | Low | 102 Ų | 102 | 134.4 Ų | 134.4 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.7 | -27.5 | 178.8 | -151.7 | 8.5 | 0 | 0 | 0 | 113.2 | R152 T159 L160 | R152-N156 VanDerWaalsContact O-CB 3.3Å; R152-N156 WeakPolarHBondContact O-CB 3.49Å; R152-N156 PolarHBondContact O-N 2.99Å; N156-T159 VanDerWaalsContact CA-OG1 3.3Å; N156-T159 WeakPolarHBondContact CA-OG1 3.3Å; N156-T159 PolarHBondContact O-OG1 3.23Å; N156-L160 VanDerWaalsContact O-CB 3.24Å; N156-L160 WeakPolarHBondContact O-CB 3.37Å; N156-L160 PolarHBondContact O-N 3.41Å; N156-L160 VanDerWaalsContact O-N 3.11Å |
| 157 | R | 69.3 | Low | 60.6 | Low | 179 Ų | 179 | 133.7 Ų | 133.7 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -74.4 | -31.8 | 173.1 | -170.7 | 169.9 | 68.3 | -153.4 | 1.1 | 112 | K153 E154 E155 G161 | K153-R157 WeakPolarHBondContact O-CB 3.37Å; K153-R157 PolarHBondContact O-N 2.91Å; K153-R157 VanDerWaalsContact O-N 3.16Å; E154-R157 PolarHBondContact O-N 3.35Å; E155-R157 VanDerWaalsContact C-N 3.28Å; E155-R157 PolarHBondContact O-N 2.84Å; R157-G161 PolarHBondContact O-N 3.18Å; R157-G161 VanDerWaalsContact O-N 3.17Å |
| 158 | K | 68.8 | Low | 59.9 | Low | 130 Ų | 130 | 133.5 Ų | 133.5 | 57% | 0.565 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.2 | -36.8 | 176.1 | -71.3 | 172.6 | -175.6 | 169.9 | 0 | 111.9 | E154 E155 K162 | E154-K158 HydrophobicContact CG-CD 4.49Å; E154-K158 WeakPolarHBondContact O-CG 3.3Å; E154-K158 PolarHBondContact O-N 3.07Å; E154-K158 VanDerWaalsContact O-N 3.09Å; E154-K158 WeakPolarHBondContact OE1-CE 3.45Å; E154-K158 IonicContact OE1-NZ 2.84Å; E154-K158 PolarHBondContact OE1-NZ 3.4Å; E155-K158 PolarHBondContact O-N 2.77Å; E155-K158 VanDerWaalsContact O-N 3.09Å; K158-K162 PolarHBondContact O-N 3.37Å |
| 159 | T | 67.2 | Low | 59.2 | Low | 78 Ų | 78 | 135.4 Ų | 135.4 | 48% | 0.479 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.1 | -43.8 | 174.1 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | E155 N156 G161 K162 D163 | E155-T159 PolarHBondContact O-N 3.45Å; E155-T159 PolarHBondContact O-OG1 3.27Å; N156-T159 VanDerWaalsContact CA-OG1 3.3Å; N156-T159 WeakPolarHBondContact CA-OG1 3.3Å; N156-T159 PolarHBondContact O-OG1 3.23Å; T159-G161 VanDerWaalsContact C-N 3.27Å; T159-G161 PolarHBondContact O-N 3.22Å; T159-K162 PolarHBondContact O-N 3.34Å; T159-D163 PolarHBondContact O-N 2.97Å |
| 160 | L | 67.3 | Low | 58.6 | Low | 102 Ų | 102 | 134.5 Ų | 134.5 | 53% | 0.534 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.8 | -25.8 | 176.8 | -172.3 | 66 | 0 | 0 | 0 | 113.6 | N156 | N156-L160 VanDerWaalsContact O-CB 3.24Å; N156-L160 WeakPolarHBondContact O-CB 3.37Å; N156-L160 PolarHBondContact O-N 3.41Å; N156-L160 VanDerWaalsContact O-N 3.11Å |
| 161 | G | 58.4 | Low | 58.2 | Low | 46 Ų | 46 | 133.9 Ų | 133.9 | 47% | 0.474 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -77.4 | -26 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R157 T159 | R157-G161 PolarHBondContact O-N 3.18Å; R157-G161 VanDerWaalsContact O-N 3.17Å; T159-G161 VanDerWaalsContact C-N 3.27Å; T159-G161 PolarHBondContact O-N 3.22Å |
| 162 | K | 57.3 | Low | 57.5 | Low | 183 Ų | 183 | 137.1 Ų | 137.1 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -77.3 | -27.8 | 176.5 | -96.5 | -178 | 168.9 | -177.8 | 0 | 113.2 | K158 T159 K164 | K158-K162 PolarHBondContact O-N 3.37Å; T159-K162 PolarHBondContact O-N 3.34Å; K162-K164 PolarHBondContact O-N 3.47Å |
| 163 | D | 55.7 | Low | 56.9 | Low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -3.8 | -178.4 | -154.8 | 26.2 | 0 | 0 | 0 | 113.5 | T159 | T159-D163 PolarHBondContact O-N 2.97Š|
| 164 | K | 55.1 | Low | 56.4 | Low | 152 Ų | 152 | 132.7 Ų | 132.7 | 66% | 0.661 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 1.3 | -177.5 | -64.9 | -171.1 | -177.1 | -153 | 0 | 114.6 | K162 P166 | K162-K164 PolarHBondContact O-N 3.47Å; K164-P166 WeakPolarHBondContact O-CD 3.46Å |
| 165 | T | 48.2 | Very low | 55.2 | Low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -72.5 | 115 | 167.9 | -56.4 | 0 | 0 | 0 | 0 | 107.2 | ||
| 166 | P | 45.9 | Very low | 54.4 | Low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | trans | -71.5 | 140.4 | -164.6 | -2.1 | 16.4 | 0 | 0 | 0 | 110.7 | K164 S168 | K164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-S168 VanDerWaalsContact C-N 3.31Å; P166-S168 PolarHBondContact O-N 2.92Å | ||
| 167 | I | 56.2 | Low | 53.7 | Low | 167 Ų | 167 | 141.9 Ų | 141.9 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -44.6 | 100.7 | 146.8 | -67.6 | 161.9 | 0 | 0 | 0 | 106.9 | ||||
| 168 | S | 42.5 | Very low | 52.9 | Low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -76.9 | 119.6 | 163.1 | 57 | 0 | 0 | 0 | 0 | 107.6 | P166 D170 | P166-S168 VanDerWaalsContact C-N 3.31Å; P166-S168 PolarHBondContact O-N 2.92Å; S168-D170 PolarHBondContact O-N 3.13Å | ||
| 169 | E | 44.4 | Very low | 52.1 | Low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | -36.1 | 112.6 | 176 | -59.1 | 171.6 | 132.2 | 0 | 0 | 114.2 | I171 | E169-I171 PolarHBondContact O-N 3.37Å; E169-I171 VanDerWaalsContact O-N 3.13Å | ||
| 170 | D | 47.2 | Very low | 51.2 | Low | 168 Ų | 168 | 144.1 Ų | 144.1 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 72.5 | 158.5 | -103.3 | -37.3 | 0 | 0 | 0 | 108.7 | S168 | S168-D170 PolarHBondContact O-N 3.13Š| ||
| 171 | I | 52.8 | Low | 50.3 | Low | 146 Ų | 146 | 146.5 Ų | 146.5 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | -148.1 | 90.2 | 157.4 | -51.1 | 179.8 | 0 | 0 | 0 | 108.5 | E169 | E169-I171 PolarHBondContact O-N 3.37Å; E169-I171 VanDerWaalsContact O-N 3.13Å | ||
| 172 | Q | 44.9 | Very low | 49.8 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -102.6 | 116.7 | 153.5 | -101.8 | -120.9 | -43.8 | 0 | 0 | 108.5 | ||||
| 173 | E | 49.1 | Very low | 49.3 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 72% | 0.724 | 83% | 0.831 | S | S | * | * | trans | -64.7 | 150.5 | 176.8 | -68.2 | -169.7 | 114.3 | 0 | 0 | 113.9 | ||||
| 174 | T | 51.4 | Low | 48.8 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 64% | 0.644 | 84% | 0.836 | S | S | * | * | trans | 46.9 | 123.7 | 138.3 | 56.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 175 | N | 45.2 | Very low | 48.3 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 94% | 0.936 | 85% | 0.849 | S | S | * | * | trans | -126.7 | 104.9 | 138.2 | -72.3 | -63.4 | 0 | 0 | 0 | 109.4 | ||||
| 176 | I | 49.8 | Very low | 48.3 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 84% | 0.841 | 86% | 0.861 | S | S | * | * | trans | -115.4 | 115.4 | 155.8 | -64.3 | 173.8 | 0 | 0 | 0 | 104.9 | ||||
| 177 | A | 50.7 | Low | 48.6 | Very low | 175 Ų | 175 | 158.8 Ų | 158.8 | 100% | 1.446 | 88% | 0.877 | S | S | * | * | trans | 177 | 0 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 177 of 177 residues in 38.9 ms
(Link to these results)