| 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 | 51.2 | Low | 52.5 | Low | 240 Ų | 240 | 158.9 Ų | 158.9 | 100% | 1.182 | 84% | 0.843 | S | S | * | * | 0 | 131.8 | 0 | -73.5 | -82.4 | -175.5 | 0 | 0 | 107.3 | |||||
| 2 | L | 45.2 | Very low | 52.6 | Low | 154 Ų | 154 | 155 Ų | 155 | 81% | 0.806 | 83% | 0.833 | S | S | * | * | trans | 76.4 | 105.1 | -175.9 | -93.8 | 57.8 | 0 | 0 | 0 | 116 | ||||
| 3 | R | 48.7 | Very low | 52.5 | Low | 233 Ų | 233 | 157.8 Ų | 157.8 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | 63.7 | 113.2 | 80.2 | -70.3 | -177.4 | 152.6 | 167.2 | -4.5 | 110.4 | |||||
| 4 | A | 51.8 | Low | 52.6 | Low | 88 Ų | 88 | 153.1 Ų | 153.1 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | 154.5 | 154.1 | 86.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | |||||
| 5 | Q | 55.5 | Low | 52.6 | Low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | cis | -158.3 | 126.1 | 9.3 | -164.8 | 94.4 | 6.6 | 0 | 0 | 103.8 | A7 | Q5-A7 PolarHBondContact O-N 3.08Š| ||
| 6 | L | 53.2 | Low | 52.6 | Low | 165 Ų | 165 | 156.8 Ų | 156.8 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -71.3 | 111.5 | 166.2 | -77.1 | 102.1 | 0 | 0 | 0 | 108.2 | R8 | L6-R8 PolarHBondContact O-N 3.47Š| ||
| 7 | A | 56.4 | Low | 52.8 | Low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 83% | 0.834 | S | S | * | * | trans | -75.6 | 93.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q5 C9 | Q5-A7 PolarHBondContact O-N 3.08Å; A7-C9 PolarHBondContact O-N 3.38Å; A7-C9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | R | 56.8 | Low | 52.1 | Low | 222 Ų | 222 | 151.7 Ų | 151.7 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -67.8 | 93.7 | 162 | -71 | 175.2 | 158.6 | -170.1 | -6.2 | 108.2 | L6 T10 | L6-R8 PolarHBondContact O-N 3.47Å; R8-T10 PolarHBondContact O-N 3.45Å | ||
| 9 | C | 45.7 | Very low | 52.1 | Low | 121 Ų | 121 | 149 Ų | 149 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -81.5 | 92.8 | 161.1 | -83.1 | 0 | 0 | 0 | 0 | 108.4 | A7 V11 | A7-C9 PolarHBondContact O-N 3.38Å; A7-C9 VanDerWaalsContact O-N 3.12Å; C9-V11 PolarHBondContact O-N 3.26Å | ||
| 10 | T | 58.1 | Low | 51.5 | Low | 124 Ų | 124 | 146.2 Ų | 146.2 | 76% | 0.761 | 83% | 0.825 | S | S | * | * | trans | -65.1 | 118.5 | 165.6 | 44.9 | 0 | 0 | 0 | 0 | 109.5 | R8 | R8-T10 PolarHBondContact O-N 3.45Š| ||
| 11 | V | 55.1 | Low | 51.2 | Low | 132 Ų | 132 | 150.7 Ų | 150.7 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -66.4 | 125.4 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | C9 M13 | C9-V11 PolarHBondContact O-N 3.26Å; V11-M13 PolarHBondContact O-N 3.17Å | ||
| 12 | P | 54 | Low | 50.8 | Low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -73 | 115.9 | 170.9 | 29.3 | -29.6 | 0 | 0 | 0 | 108.4 | A14 | P12-A14 VanDerWaalsContact C-N 3.25Å; P12-A14 PolarHBondContact O-N 3.31Å | ||
| 13 | M | 50.7 | Low | 50.5 | Low | 191 Ų | 191 | 143.6 Ų | 143.6 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | trans | -66.9 | 86.3 | 166.7 | -168.4 | -177.2 | 170 | 0 | 0 | 108 | V11 T15 | V11-M13 PolarHBondContact O-N 3.17Å; M13-T15 PolarHBondContact O-N 2.92Å; M13-T15 VanDerWaalsContact O-N 3.16Å | ||
| 14 | A | 54.6 | Low | 50.2 | Low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -75.5 | 103.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P12 | P12-A14 VanDerWaalsContact C-N 3.25Å; P12-A14 PolarHBondContact O-N 3.31Å | ||
| 15 | T | 52.3 | Low | 49.6 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -24.5 | 125.2 | 160.3 | 43 | 0 | 0 | 0 | 0 | 116.2 | M13 | M13-T15 PolarHBondContact O-N 2.92Å; M13-T15 VanDerWaalsContact O-N 3.16Å | ||
| 16 | R | 52.9 | Low | 48.9 | Very low | 239 Ų | 239 | 133 Ų | 133 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 55.4 | 106.8 | 135.8 | -120.3 | 172.8 | 161.3 | -163.9 | -6.9 | 117.5 | C18 | R16-C18 PolarHBondContact O-N 3.21Å; R16-C18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | A | 54.8 | Low | 48.4 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -53.4 | 109.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 18 | C | 41.1 | Very low | 48.2 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -95.2 | 80.1 | 154.6 | -93.8 | 0 | 0 | 0 | 0 | 107.6 | R16 | R16-C18 PolarHBondContact O-N 3.21Å; R16-C18 VanDerWaalsContact O-N 3.11Å | ||
| 19 | A | 51.6 | Low | 48.5 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -100.1 | 65.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 20 | S | 40.9 | Very low | 50.1 | Low | 93 Ų | 93 | 114.3 Ų | 114.3 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | -121.3 | 83.8 | 161.7 | 56.2 | 0 | 0 | 0 | 0 | 106.3 | D22 | S20-D22 PolarHBondContact O-N 3.49Š| ||
| 21 | R | 44.8 | Very low | 51.2 | Low | 241 Ų | 241 | 113.4 Ų | 113.4 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | trans | -60.7 | 87.6 | 152 | -88.8 | 176.1 | 158.2 | -163.4 | -5.5 | 105.6 | S23 | R21-S23 PolarHBondContact O-N 3.12Š| ||
| 22 | D | 42.3 | Very low | 52.5 | Low | 136 Ų | 136 | 108 Ų | 108 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | -65.6 | 90.3 | 157.6 | -174.6 | -112.1 | 0 | 0 | 0 | 105.1 | S20 A24 | S20-D22 PolarHBondContact O-N 3.49Å; D22-A24 PolarHBondContact O-N 2.92Å; D22-A24 WeakPolarHBondContact OD1-CB 3.33Å | ||
| 23 | S | 40 | Very low | 54 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | trans | -67.5 | 75.8 | 161.7 | -65.5 | 0 | 0 | 0 | 0 | 106 | R21 G25 | R21-S23 PolarHBondContact O-N 3.12Å; S23-G25 PolarHBondContact O-N 2.83Å | ||
| 24 | A | 41 | Very low | 55.6 | Low | 78 Ų | 78 | 96.6 Ų | 96.6 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | trans | -61.8 | 81.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | D22 S26 | D22-A24 PolarHBondContact O-N 2.92Å; D22-A24 WeakPolarHBondContact OD1-CB 3.33Å; A24-S26 PolarHBondContact O-N 2.84Å; A24-S26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | G | 39.6 | Very low | 57.1 | Low | 64 Ų | 64 | 93.7 Ų | 93.7 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | trans | -56.3 | 113.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | S23 A27 | S23-G25 PolarHBondContact O-N 2.83Å; G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 3.1Å | ||
| 26 | S | 40.7 | Very low | 58.8 | Low | 130 Ų | 130 | 88 Ų | 88 | 91% | 0.909 | 57% | 0.574 | S | S | * | * | trans | -53.3 | 86.4 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 111 | A24 | A24-S26 PolarHBondContact O-N 2.84Å; A24-S26 VanDerWaalsContact O-N 3.08Å | ||
| 27 | A | 44.2 | Very low | 60.5 | Low | 40 Ų | 40 | 79.7 Ų | 79.7 | 33% | 0.331 | 54% | 0.543 | S | S | . | . | trans | -101.6 | 109.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G25 G29 | G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 3.1Å; A27-G29 PolarHBondContact O-N 3.32Å | ||
| 28 | A | 51.8 | Low | 62.1 | Low | 108 Ų | 108 | 76.8 Ų | 76.8 | 89% | 0.893 | 52% | 0.519 | S | S | * | . | trans | -72.7 | 64.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 29 | G | 62.1 | Low | 64.4 | Low | 37 Ų | 37 | 73.9 Ų | 73.9 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -157.4 | 164.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A27 E33 | A27-G29 PolarHBondContact O-N 3.32Å; G29-E33 VanDerWaalsContact CA-OE1 3.27Å; G29-E33 WeakPolarHBondContact CA-OE1 3.41Å |
| 30 | G | 79.4 | Confident | 66.1 | Low | 26 Ų | 26 | 69.1 Ų | 69.1 | 27% | 0.268 | 45% | 0.452 | S | S | . | . | trans | -68.3 | 171.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V32 E33 A34 | G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.35Å; G30-E33 WeakPolarHBondContact O-CB 3.35Å; G30-E33 PolarHBondContact O-N 2.95Å; G30-A34 PolarHBondContact O-N 3.11Å; G30-A34 VanDerWaalsContact O-N 3.08Å | ||
| 31 | P | 81.3 | Confident | 68.4 | Low | 105 Ų | 105 | 69.1 Ų | 69.1 | 68% | 0.682 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.2 | -34.9 | -179.5 | 25.9 | -33.5 | 0 | 0 | 0 | 112.6 | A35 | P31-A35 PolarHBondContact O-N 2.68Å |
| 32 | V | 82.1 | Confident | 70.5 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 176 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | G30 A34 A35 I36 F68 P100 V101 | G30-V32 VanDerWaalsContact C-N 3.28Å; G30-V32 PolarHBondContact O-N 3.35Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.83Å; V32-A35 PolarHBondContact O-N 3.08Å; V32-I36 HydrophobicContact CG1-CD1 3.92Å; V32-I36 HydrophobicContact CG1-CG1 4.5Å; V32-I36 WeakPolarHBondContact O-CG1 3.49Å; V32-I36 PolarHBondContact O-N 3.24Å; V32-F68 HydrophobicContact CB-CZ 4.24Å; V32-F68 HydrophobicContact CG1-CE2 3.92Å; V32-F68 HydrophobicContact CG1-CZ 4Å; V32-P100 HydrophobicContact CG1-CG 4.22Å; V32-P100 HydrophobicContact CG2-CG 3.94Å; V32-V101 HydrophobicContact CG1-CG2 3.8Å |
| 33 | E | 85.8 | Confident | 72.6 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 8% | 0.079 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 176.8 | -169.5 | -178.7 | 110.9 | 0 | 0 | 111.6 | G29 G30 A35 I36 R37 L51 F68 | G29-E33 VanDerWaalsContact CA-OE1 3.27Å; G29-E33 WeakPolarHBondContact CA-OE1 3.41Å; G30-E33 WeakPolarHBondContact O-CB 3.35Å; G30-E33 PolarHBondContact O-N 2.95Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.77Å; E33-I36 PolarHBondContact O-N 3.23Å; E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 PolarHBondContact O-N 2.77Å; E33-L51 HydrophobicContact CB-CD2 4.24Å; E33-L51 HydrophobicContact CG-CB 4.34Å; E33-L51 HydrophobicContact CG-CD2 3.25Å; E33-L51 HydrophobicContact CG-CG 3.57Å; E33-L51 WeakPolarHBondContact O-CD2 3.47Å; E33-F68 HydrophobicContact CB-CE1 4.45Å |
| 34 | A | 85.4 | Confident | 74.7 | Confident | 45 Ų | 45 | 56 Ų | 56 | 37% | 0.372 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G30 V32 R37 A38 | G30-A34 PolarHBondContact O-N 3.11Å; G30-A34 VanDerWaalsContact O-N 3.08Å; V32-A34 VanDerWaalsContact C-N 3.34Å; V32-A34 PolarHBondContact O-N 2.83Å; A34-R37 PolarHBondContact O-N 2.75Å; A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.87Å |
| 35 | A | 86.1 | Confident | 76.9 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | P31 V32 E33 R37 A38 K39 | P31-A35 PolarHBondContact O-N 2.68Å; V32-A35 PolarHBondContact O-N 3.08Å; E33-A35 VanDerWaalsContact C-N 3.35Å; E33-A35 PolarHBondContact O-N 2.77Å; A35-R37 PolarHBondContact O-N 3.24Å; A35-A38 PolarHBondContact O-N 2.93Å; A35-K39 WeakPolarHBondContact O-CG 3.35Å; A35-K39 PolarHBondContact O-N 3.05Å |
| 36 | I | 87.3 | Confident | 79.3 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 177.2 | -67.9 | 168.2 | 0 | 0 | 0 | 110.5 | V32 E33 A38 K39 L40 L51 F68 L93 E96 V101 | V32-I36 HydrophobicContact CG1-CD1 3.92Å; V32-I36 HydrophobicContact CG1-CG1 4.5Å; V32-I36 WeakPolarHBondContact O-CG1 3.49Å; V32-I36 PolarHBondContact O-N 3.24Å; E33-I36 PolarHBondContact O-N 3.23Å; I36-A38 PolarHBondContact O-N 2.88Å; I36-K39 PolarHBondContact O-N 3.03Å; I36-L40 HydrophobicContact CG2-CD1 3.83Å; I36-L40 HydrophobicContact CG2-CG 4.46Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 3.07Å; I36-L51 HydrophobicContact CB-CD2 4.02Å; I36-L51 HydrophobicContact CG2-CD1 4.2Å; I36-L51 HydrophobicContact CG2-CD2 3.86Å; I36-F68 HydrophobicContact CD1-CD2 4.36Å; I36-F68 HydrophobicContact CD1-CG 4.5Å; I36-L93 HydrophobicContact CB-CD2 4.25Å; I36-L93 HydrophobicContact CG1-CD2 4.3Å; I36-L93 HydrophobicContact CG2-CD1 3.98Å; I36-L93 HydrophobicContact CG2-CD2 3.83Å; I36-E96 HydrophobicContact CG1-CB 4.48Å; I36-E96 HydrophobicContact CG1-CG 4.41Å; I36-V101 HydrophobicContact CD1-CG2 4.14Å |
| 37 | R | 88.8 | Confident | 81.6 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 177.9 | 172.1 | 176.3 | -72.9 | 173.5 | -2.4 | 111 | E33 A34 A35 K39 L40 E41 L49 L51 | E33-R37 WeakPolarHBondContact O-CB 3.29Å; E33-R37 PolarHBondContact O-N 2.77Å; A34-R37 PolarHBondContact O-N 2.75Å; A35-R37 PolarHBondContact O-N 3.24Å; R37-K39 VanDerWaalsContact C-N 3.34Å; R37-K39 PolarHBondContact O-N 3.33Å; R37-L40 PolarHBondContact O-N 3.33Å; R37-E41 WeakPolarHBondContact CD-OE1 3.5Å; R37-E41 HydrophobicContact CG-CG 4.28Å; R37-E41 VanDerWaalsContact CG-OE1 3.26Å; R37-E41 WeakPolarHBondContact CG-OE1 3.38Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 3.24Å; R37-L49 HydrophobicContact CB-CD2 4.17Å; R37-L49 HydrophobicContact CG-CD1 4.33Å; R37-L49 HydrophobicContact CG-CD2 3.71Å; R37-L51 HydrophobicContact CB-CD2 4.22Å |
| 38 | A | 88.7 | Confident | 83.6 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A34 A35 I36 E41 Q42 | A34-A38 WeakPolarHBondContact O-CB 3.49Å; A34-A38 PolarHBondContact O-N 2.87Å; A35-A38 PolarHBondContact O-N 2.93Å; I36-A38 PolarHBondContact O-N 2.88Å; A38-E41 PolarHBondContact O-N 3.06Å; A38-Q42 WeakPolarHBondContact O-CB 3.41Å; A38-Q42 WeakPolarHBondContact O-CG 3.06Å; A38-Q42 PolarHBondContact O-N 3.27Å |
| 39 | K | 88.3 | Confident | 85.4 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.8 | -71.7 | -85.4 | -167.2 | 164.3 | 0 | 111.9 | A35 I36 R37 Q42 A43 L93 E95 | A35-K39 WeakPolarHBondContact O-CG 3.35Å; A35-K39 PolarHBondContact O-N 3.05Å; I36-K39 PolarHBondContact O-N 3.03Å; R37-K39 VanDerWaalsContact C-N 3.34Å; R37-K39 PolarHBondContact O-N 3.33Å; K39-Q42 PolarHBondContact O-N 2.92Å; K39-A43 VanDerWaalsContact O-CB 3.25Å; K39-A43 WeakPolarHBondContact O-CB 3.44Å; K39-A43 PolarHBondContact O-N 3.15Å; K39-L93 HydrophobicContact CB-CD2 4.2Å; K39-E95 IonicContact NZ-OE1 3.64Å; K39-E95 IonicContact NZ-OE2 3.83Å; K39-E95 PolarHBondContact NZ-OE2 3.26Å |
| 40 | L | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.7 | -67.4 | 173 | 0 | 0 | 0 | 112.2 | I36 R37 Q42 A43 L44 L49 V70 V89 L93 | I36-L40 HydrophobicContact CG2-CD1 3.83Å; I36-L40 HydrophobicContact CG2-CG 4.46Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.48Å; I36-L40 PolarHBondContact O-N 3.07Å; R37-L40 PolarHBondContact O-N 3.33Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.26Å; L40-A43 PolarHBondContact O-N 3.17Å; L40-L44 HydrophobicContact CD2-CD1 3.73Å; L40-L44 WeakPolarHBondContact O-CB 3.24Å; L40-L44 PolarHBondContact O-N 3.49Å; L40-L49 HydrophobicContact CB-CD1 3.8Å; L40-L49 HydrophobicContact CD1-CD1 4.32Å; L40-V70 HydrophobicContact CD1-CG2 3.62Å; L40-V89 HydrophobicContact CD2-CG1 3.96Å; L40-L93 HydrophobicContact CD1-CD1 4.34Å; L40-L93 HydrophobicContact CD2-CD1 4.09Å; L40-L93 HydrophobicContact CD2-CD2 4.18Å; L40-L93 HydrophobicContact CD2-CG 4.05Å; L40-L93 HydrophobicContact CG-CD1 4.42Å; L40-L93 HydrophobicContact CG-CD2 4.11Å; L40-L93 HydrophobicContact CG-CG 4.46Å |
| 41 | E | 88.9 | Confident | 87 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.2 | -73.8 | 175.8 | 178.7 | 0 | 0 | 111.5 | R37 A38 S45 L49 | R37-E41 WeakPolarHBondContact CD-OE1 3.5Å; R37-E41 HydrophobicContact CG-CG 4.28Å; R37-E41 VanDerWaalsContact CG-OE1 3.26Å; R37-E41 WeakPolarHBondContact CG-OE1 3.38Å; R37-E41 WeakPolarHBondContact O-CG 3.26Å; R37-E41 PolarHBondContact O-N 3.24Å; A38-E41 PolarHBondContact O-N 3.06Å; E41-S45 VanDerWaalsContact O-CA 3.24Å; E41-S45 WeakPolarHBondContact O-CA 3.49Å; E41-S45 PolarHBondContact O-N 3.13Å; E41-S45 PolarHBondContact O-OG 3.23Å; E41-L49 HydrophobicContact CG-CD1 4.05Å |
| 42 | Q | 87.5 | Confident | 87 | Confident | 152 Ų | 152 | 53.6 Ų | 53.6 | 71% | 0.71 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -69.1 | -41.1 | 178.6 | -71.4 | 168.3 | 29.8 | 0 | 0 | 112.7 | A38 K39 L40 | A38-Q42 WeakPolarHBondContact O-CB 3.41Å; A38-Q42 WeakPolarHBondContact O-CG 3.06Å; A38-Q42 PolarHBondContact O-N 3.27Å; K39-Q42 PolarHBondContact O-N 2.92Å; L40-Q42 VanDerWaalsContact C-N 3.33Å; L40-Q42 PolarHBondContact O-N 3.26Å |
| 43 | A | 87.4 | Confident | 86.9 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -81 | -38.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K39 L40 A92 | K39-A43 VanDerWaalsContact O-CB 3.25Å; K39-A43 WeakPolarHBondContact O-CB 3.44Å; K39-A43 PolarHBondContact O-N 3.15Å; L40-A43 PolarHBondContact O-N 3.17Å; A43-A92 HydrophobicContact CB-CB 4.04Å |
| 44 | L | 84.9 | Confident | 86.4 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -118 | -14.9 | -166.6 | -62.9 | 160.8 | 0 | 0 | 0 | 113.7 | L40 V72 S74 F77 V89 | L40-L44 HydrophobicContact CD2-CD1 3.73Å; L40-L44 WeakPolarHBondContact O-CB 3.24Å; L40-L44 PolarHBondContact O-N 3.49Å; L44-V72 HydrophobicContact CD1-CG2 4.33Å; L44-S74 PolarHBondContact O-OG 3.43Å; L44-S74 VanDerWaalsContact O-OG 3.05Å; L44-F77 HydrophobicContact CD1-CZ 4.14Å; L44-F77 HydrophobicContact CD2-CE1 3.97Å; L44-F77 HydrophobicContact CD2-CZ 4.07Å; L44-V89 HydrophobicContact CD1-CG2 3.94Å |
| 45 | S | 86.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 60% | 0.601 | 30% | 0.297 | S | S | * | . | trans | 37.7 | 59.9 | -175.8 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | E41 | E41-S45 VanDerWaalsContact O-CA 3.24Å; E41-S45 WeakPolarHBondContact O-CA 3.49Å; E41-S45 PolarHBondContact O-N 3.13Å; E41-S45 PolarHBondContact O-OG 3.23Å | ||
| 46 | P | 89.1 | Confident | 83.9 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 16% | 0.162 | 32% | 0.323 | C | S | . | . | trans | -70.1 | 151.4 | -176.4 | 31.7 | -34.4 | 0 | 0 | 0 | 111.9 | L49 V72 V73 | P46-L49 HydrophobicContact CG-CB 4Å; P46-L49 HydrophobicContact CG-CD1 3.98Å; P46-V72 HydrophobicContact CB-CG2 3.6Å; P46-V72 HydrophobicContact CG-CG2 3.97Å; P46-V73 CarbonylContact C-O 3.58Å; P46-V73 WeakPolarHBondContact CA-O 3.14Å; P46-V73 WeakPolarHBondContact CB-O 3.21Å | ||
| 47 | E | 89.1 | Confident | 82.3 | Confident | 122 Ų | 122 | 62.1 Ų | 62.1 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -74.4 | -35.2 | 171.6 | -70.1 | 177.5 | -133.9 | 0 | 0 | 111.3 | V73 | E47-V73 PolarHBondContact N-O 2.6Š|
| 48 | V | 87.9 | Confident | 80.6 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 26% | 0.261 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 127.6 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | V73 W114 | V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.87Å; V48-V73 HydrophobicContact CG1-CG2 4.5Å; V48-V73 HydrophobicContact CG2-CB 4.41Å; V48-V73 PolarHBondContact N-O 3.39Å; V48-V73 PolarHBondContact O-N 3.18Å; V48-W114 HydrophobicContact CG1-CZ2 3.99Å |
| 49 | L | 88.9 | Confident | 78.6 | Confident | 26 Ų | 26 | 68.7 Ų | 68.7 | 14% | 0.136 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 113.6 | 174.5 | -176.5 | 150.6 | 0 | 0 | 0 | 109.4 | R37 L40 E41 P46 L51 A71 | R37-L49 HydrophobicContact CB-CD2 4.17Å; R37-L49 HydrophobicContact CG-CD1 4.33Å; R37-L49 HydrophobicContact CG-CD2 3.71Å; L40-L49 HydrophobicContact CB-CD1 3.8Å; L40-L49 HydrophobicContact CD1-CD1 4.32Å; E41-L49 HydrophobicContact CG-CD1 4.05Å; P46-L49 HydrophobicContact CG-CB 4Å; P46-L49 HydrophobicContact CG-CD1 3.98Å; L49-L51 HydrophobicContact CD2-CB 4.23Å; L49-A71 WeakPolarHBondContact CA-O 3.47Å |
| 50 | E | 87.7 | Confident | 76.9 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125 | 173.3 | -78.4 | -79.3 | 146.2 | 0 | 0 | 108 | R52 V70 A71 L120 | E50-R52 IonicContact OE2-NE 3.09Å; E50-R52 IonicContact OE2-NH2 3.81Å; E50-V70 CarbonylContact O-C 3.45Å; E50-V70 WeakPolarHBondContact O-CA 3.38Å; E50-A71 HydrophobicContact CB-CB 4.22Å; E50-A71 PolarHBondContact N-O 3.5Å; E50-A71 PolarHBondContact O-N 2.94Å; E50-L120 HydrophobicContact CB-CD1 3.89Å; E50-L120 HydrophobicContact CG-CD1 4.23Å |
| 51 | L | 86.3 | Confident | 75.3 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.052 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.3 | 178.6 | -176.5 | 61.8 | 0 | 0 | 0 | 107.4 | E33 I36 R37 L49 R69 V70 | E33-L51 HydrophobicContact CB-CD2 4.24Å; E33-L51 HydrophobicContact CG-CB 4.34Å; E33-L51 HydrophobicContact CG-CD2 3.25Å; E33-L51 HydrophobicContact CG-CG 3.57Å; E33-L51 WeakPolarHBondContact O-CD2 3.47Å; I36-L51 HydrophobicContact CB-CD2 4.02Å; I36-L51 HydrophobicContact CG2-CD1 4.2Å; I36-L51 HydrophobicContact CG2-CD2 3.86Å; R37-L51 HydrophobicContact CB-CD2 4.22Å; L49-L51 HydrophobicContact CD2-CB 4.23Å; L51-R69 WeakPolarHBondContact CA-O 3.33Å; L51-V70 HydrophobicContact CB-CG2 4.5Å; L51-V70 HydrophobicContact CD1-CB 3.64Å; L51-V70 HydrophobicContact CD1-CG2 3.86Å |
| 52 | R | 83 | Confident | 73.5 | Confident | 152 Ų | 152 | 74.1 Ų | 74.1 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.2 | -177.1 | -67.9 | -173.1 | 178.7 | -129.4 | -2.1 | 110.5 | E50 R69 | E50-R52 IonicContact OE2-NE 3.09Å; E50-R52 IonicContact OE2-NH2 3.81Å; R52-R69 PolarHBondContact N-O 2.83Å; R52-R69 PolarHBondContact O-N 2.86Å |
| 53 | N | 79.4 | Confident | 71.9 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 34% | 0.337 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.2 | 173 | -174.3 | -28.3 | 0 | 0 | 0 | 110.1 | S55 H67 F68 | N53-S55 WeakPolarHBondContact OD1-CB 3.45Å; N53-S55 PolarHBondContact OD1-N 3.37Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; N53-H67 PolarHBondContact OD1-O 2.92Å; N53-F68 HydrophobicContact CB-CD1 4.08Å; N53-F68 HydrophobicContact CB-CE1 3.91Å |
| 54 | E | 74.6 | Confident | 70.5 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | trans | -111.2 | 20.6 | 179.7 | -70.2 | -168.1 | 127.8 | 0 | 0 | 112.9 | G56 G57 H67 R69 | E54-G56 PolarHBondContact O-N 2.9Å; E54-G57 PolarHBondContact O-N 3.47Å; E54-H67 PolarHBondContact N-O 2.84Å; E54-R69 VanDerWaalsContact CD-NE 3.27Å; E54-R69 HydrophobicContact CG-CB 4.4Å; E54-R69 IonicContact OE1-CZ 3.31Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 PolarHBondContact OE1-NE 3.44Å; E54-R69 IonicContact OE1-NH2 3.44Å; E54-R69 PolarHBondContact OE1-NH2 2.9Å; E54-R69 IonicContact OE2-CZ 2.77Å; E54-R69 IonicContact OE2-NE 3.45Å; E54-R69 PolarHBondContact OE2-NE 3Å; E54-R69 IonicContact OE2-NH2 2.71Å; E54-R69 PolarHBondContact OE2-NH2 3.47Å | ||
| 55 | S | 64.1 | Low | 69.6 | Low | 22 Ų | 22 | 71 Ų | 71 | 15% | 0.154 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -54.9 | -21.4 | -179.3 | 54 | 0 | 0 | 0 | 0 | 115.9 | N53 G57 V60 S64 | N53-S55 WeakPolarHBondContact OD1-CB 3.45Å; N53-S55 PolarHBondContact OD1-N 3.37Å; N53-S55 PolarHBondContact OD1-OG 2.99Å; S55-G57 VanDerWaalsContact C-N 3.28Å; S55-G57 PolarHBondContact O-N 3.43Å; S55-V60 VanDerWaalsContact O-CG2 3.27Å; S55-V60 WeakPolarHBondContact O-CG2 3.21Å; S55-S64 WeakPolarHBondContact CB-O 3.42Å |
| 56 | G | 56.3 | Low | 68.8 | Low | 79 Ų | 79 | 68.1 Ų | 68.1 | 81% | 0.814 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -73.5 | -5.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.5 | E54 | E54-G56 PolarHBondContact O-N 2.9Š|
| 57 | G | 53.4 | Low | 68.3 | Low | 64 Ų | 64 | 70 Ų | 70 | 66% | 0.66 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -84.1 | -10.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | E54 S55 | E54-G57 PolarHBondContact O-N 3.47Å; S55-G57 VanDerWaalsContact C-N 3.28Å; S55-G57 PolarHBondContact O-N 3.43Å |
| 58 | H | 53.3 | Low | 68.1 | Low | 120 Ų | 120 | 64.4 Ų | 64.4 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -122.2 | 155.9 | -178.8 | -67.7 | -59.5 | 0 | 0 | 0 | 110.4 | V60 | H58-V60 HydrophobicContact CB-CG2 4.23Å; H58-V60 WeakPolarHBondContact O-CG2 3.37Å; H58-V60 PolarHBondContact O-N 3.5Å |
| 59 | A | 46.7 | Very low | 67.9 | Low | 119 Ų | 119 | 63.4 Ų | 63.4 | 98% | 0.983 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -68.6 | 54.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 60 | V | 52.8 | Low | 67.9 | Low | 56 Ų | 56 | 62.1 Ų | 62.1 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -103.6 | 148.8 | 171.7 | -76.9 | 0 | 0 | 0 | 0 | 108.6 | S55 H58 A62 | S55-V60 VanDerWaalsContact O-CG2 3.27Å; S55-V60 WeakPolarHBondContact O-CG2 3.21Å; H58-V60 HydrophobicContact CB-CG2 4.23Å; H58-V60 WeakPolarHBondContact O-CG2 3.37Å; H58-V60 PolarHBondContact O-N 3.5Å; V60-A62 PolarHBondContact O-N 3.35Å |
| 61 | P | 54.2 | Low | 68 | Low | 101 Ų | 101 | 58.8 Ų | 58.8 | 66% | 0.656 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 137.9 | 177.9 | -23 | 32.3 | 0 | 0 | 0 | 111.4 | G63 S64 | P61-G63 PolarHBondContact O-N 3.18Å; P61-G63 VanDerWaalsContact O-N 3.13Å; P61-S64 WeakPolarHBondContact O-CB 3.35Å; P61-S64 PolarHBondContact O-N 3.05Å; P61-S64 PolarHBondContact O-OG 2.94Å |
| 62 | A | 50.3 | Low | 68.2 | Low | 114 Ų | 114 | 58.3 Ų | 58.3 | 94% | 0.942 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 118.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V60 | V60-A62 PolarHBondContact O-N 3.35Š|
| 63 | G | 54.5 | Low | 68.6 | Low | 68 Ų | 68 | 51.1 Ų | 51.1 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | 4.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | P61 E65 | P61-G63 PolarHBondContact O-N 3.18Å; P61-G63 VanDerWaalsContact O-N 3.13Å; G63-E65 PolarHBondContact O-N 2.83Å |
| 64 | S | 58.4 | Low | 69.1 | Low | 27 Ų | 27 | 48.2 Ų | 48.2 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | trans | -77 | 100.2 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | S55 P61 T66 | S55-S64 WeakPolarHBondContact CB-O 3.42Å; P61-S64 WeakPolarHBondContact O-CB 3.35Å; P61-S64 PolarHBondContact O-N 3.05Å; P61-S64 PolarHBondContact O-OG 2.94Å; S64-T66 PolarHBondContact O-N 3.05Å; S64-T66 PolarHBondContact O-OG1 2.9Å | ||
| 65 | E | 66.3 | Low | 69.9 | Low | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 51.8 | 175.1 | -71.3 | -175.7 | 109.8 | 0 | 0 | 112.5 | G63 F68 | G63-E65 PolarHBondContact O-N 2.83Å; E65-F68 HydrophobicContact CB-CE2 3.82Å; E65-F68 HydrophobicContact CB-CZ 3.62Å; E65-F68 HydrophobicContact CG-CZ 3.96Å; E65-F68 WeakPolarHBondContact O-CE2 3.41Å |
| 66 | T | 69.6 | Low | 71 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.153 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -31.2 | -172.6 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | S64 H102 A103 | S64-T66 PolarHBondContact O-N 3.05Å; S64-T66 PolarHBondContact O-OG1 2.9Å; T66-H102 HydrophobicContact CG2-CB 4.49Å; T66-H102 PolarHBondContact O-N 3.07Å; T66-H102 VanDerWaalsContact O-N 3.11Å; T66-A103 PolarHBondContact O-N 2.81Å |
| 67 | H | 78.7 | Confident | 72.4 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.8 | -178.2 | -70.9 | -93 | 0 | 0 | 0 | 111.4 | N53 E54 A103 | N53-H67 PolarHBondContact OD1-O 2.92Å; E54-H67 PolarHBondContact N-O 2.84Å; H67-A103 WeakPolarHBondContact CA-O 3.2Å |
| 68 | F | 83 | Confident | 74 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.022 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 149.4 | 175.1 | -71.8 | -79.7 | 0 | 0 | 0 | 111.3 | V32 E33 I36 N53 E65 V101 A103 L104 A105 | V32-F68 HydrophobicContact CB-CZ 4.24Å; V32-F68 HydrophobicContact CG1-CE2 3.92Å; V32-F68 HydrophobicContact CG1-CZ 4Å; E33-F68 HydrophobicContact CB-CE1 4.45Å; I36-F68 HydrophobicContact CD1-CD2 4.36Å; I36-F68 HydrophobicContact CD1-CG 4.5Å; N53-F68 HydrophobicContact CB-CD1 4.08Å; N53-F68 HydrophobicContact CB-CE1 3.91Å; E65-F68 HydrophobicContact CB-CE2 3.82Å; E65-F68 HydrophobicContact CB-CZ 3.62Å; E65-F68 HydrophobicContact CG-CZ 3.96Å; E65-F68 WeakPolarHBondContact O-CE2 3.41Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.98Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; F68-A103 PolarHBondContact N-O 2.69Å; F68-A103 VanDerWaalsContact N-O 3.14Å; F68-L104 HydrophobicContact CB-CB 4.43Å; F68-L104 CarbonylContact O-C 3.55Å; F68-L104 WeakPolarHBondContact O-CA 3.11Å; F68-A105 PolarHBondContact O-N 3.27Å |
| 69 | R | 85.6 | Confident | 75.7 | Confident | 21 Ų | 21 | 52.1 Ų | 52.1 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.5 | 170.2 | 179.8 | 177 | -60.8 | -145.3 | 2.2 | 109.3 | L51 R52 E54 A105 D121 S123 | L51-R69 WeakPolarHBondContact CA-O 3.33Å; R52-R69 PolarHBondContact N-O 2.83Å; R52-R69 PolarHBondContact O-N 2.86Å; E54-R69 VanDerWaalsContact CD-NE 3.27Å; E54-R69 HydrophobicContact CG-CB 4.4Å; E54-R69 IonicContact OE1-CZ 3.31Å; E54-R69 IonicContact OE1-NE 2.7Å; E54-R69 PolarHBondContact OE1-NE 3.44Å; E54-R69 IonicContact OE1-NH2 3.44Å; E54-R69 PolarHBondContact OE1-NH2 2.9Å; E54-R69 IonicContact OE2-CZ 2.77Å; E54-R69 IonicContact OE2-NE 3.45Å; E54-R69 PolarHBondContact OE2-NE 3Å; E54-R69 IonicContact OE2-NH2 2.71Å; E54-R69 PolarHBondContact OE2-NH2 3.47Å; R69-A105 WeakPolarHBondContact CA-O 3.42Å; R69-A105 HydrophobicContact CB-CB 4.29Å; R69-A105 HydrophobicContact CG-CB 4.17Å; R69-D121 VanDerWaalsContact NH1-C 3.34Å; R69-D121 PolarHBondContact NH1-O 3.44Å; R69-S123 PolarHBondContact NH2-OG 2.82Å |
| 70 | V | 87.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132 | 176 | 70.7 | 0 | 0 | 0 | 0 | 110.4 | L40 E50 L51 L104 A105 I106 Q107 | L40-V70 HydrophobicContact CD1-CG2 3.62Å; E50-V70 CarbonylContact O-C 3.45Å; E50-V70 WeakPolarHBondContact O-CA 3.38Å; L51-V70 HydrophobicContact CB-CG2 4.5Å; L51-V70 HydrophobicContact CD1-CB 3.64Å; L51-V70 HydrophobicContact CD1-CG2 3.86Å; V70-L104 HydrophobicContact CG1-CD1 3.75Å; V70-A105 PolarHBondContact N-O 2.82Å; V70-I106 HydrophobicContact CG1-CB 4.38Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.48Å; V70-I106 WeakPolarHBondContact O-CA 2.84Å; V70-Q107 PolarHBondContact O-N 2.92Å |
| 71 | A | 89.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L49 E50 Q107 L120 | L49-A71 WeakPolarHBondContact CA-O 3.47Å; E50-A71 HydrophobicContact CB-CB 4.22Å; E50-A71 PolarHBondContact N-O 3.5Å; E50-A71 PolarHBondContact O-N 2.94Å; A71-Q107 WeakPolarHBondContact CA-O 3.27Å; A71-Q107 HydrophobicContact CB-CB 3.97Å; A71-L120 HydrophobicContact CB-CD1 4.31Å; A71-L120 HydrophobicContact CB-CD2 3.16Å; A71-L120 HydrophobicContact CB-CG 4.35Å |
| 72 | V | 90.6 | Very high | 81 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.4 | -173.3 | 60.4 | 0 | 0 | 0 | 0 | 108.4 | L44 P46 F77 V89 Q107 A108 K109 | L44-V72 HydrophobicContact CD1-CG2 4.33Å; P46-V72 HydrophobicContact CB-CG2 3.6Å; P46-V72 HydrophobicContact CG-CG2 3.97Å; V72-F77 HydrophobicContact CB-CE2 4.31Å; V72-F77 HydrophobicContact CG1-CE2 3.7Å; V72-F77 HydrophobicContact CG1-CZ 3.75Å; V72-F77 HydrophobicContact CG2-CE2 3.94Å; V72-F77 HydrophobicContact CG2-CZ 4.12Å; V72-V89 HydrophobicContact CG1-CG2 4.24Å; V72-Q107 PolarHBondContact N-O 3.11Å; V72-A108 HydrophobicContact CG1-CB 4.01Å; V72-A108 WeakPolarHBondContact O-CA 3.38Å; V72-K109 PolarHBondContact O-N 3.15Å |
| 73 | V | 91.2 | Very high | 82.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.6 | 179 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | P46 E47 V48 K109 P111 W114 | P46-V73 CarbonylContact C-O 3.58Å; P46-V73 WeakPolarHBondContact CA-O 3.14Å; P46-V73 WeakPolarHBondContact CB-O 3.21Å; E47-V73 PolarHBondContact N-O 2.6Å; V48-V73 HydrophobicContact CB-CB 3.86Å; V48-V73 HydrophobicContact CB-CG2 3.87Å; V48-V73 HydrophobicContact CG1-CG2 4.5Å; V48-V73 HydrophobicContact CG2-CB 4.41Å; V48-V73 PolarHBondContact N-O 3.39Å; V48-V73 PolarHBondContact O-N 3.18Å; V73-K109 WeakPolarHBondContact CA-O 3.24Å; V73-K109 HydrophobicContact CG2-CB 4.49Å; V73-P111 HydrophobicContact CG1-CB 4.18Å; V73-W114 HydrophobicContact CB-CB 4.49Å; V73-W114 HydrophobicContact CG1-CB 3.68Å; V73-W114 HydrophobicContact CG1-CG 4.1Å; V73-W114 HydrophobicContact CG2-CB 3.95Å; V73-W114 HydrophobicContact CG2-CD2 3.53Å; V73-W114 HydrophobicContact CG2-CE3 3.5Å; V73-W114 VanDerWaalsContact CG2-CE3 3.5Å; V73-W114 HydrophobicContact CG2-CG 3.73Å; V73-W114 HydrophobicContact CG2-CZ3 4.17Å |
| 74 | S | 91.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | trans | -144.6 | 144.8 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | L44 R76 F77 K109 P111 | L44-S74 PolarHBondContact O-OG 3.43Å; L44-S74 VanDerWaalsContact O-OG 3.05Å; S74-R76 PolarHBondContact O-N 3.08Å; S74-R76 WeakPolarHBondContact OG-CB 3.21Å; S74-R76 PolarHBondContact OG-N 3.32Å; S74-F77 WeakPolarHBondContact O-CD2 3.48Å; S74-F77 PolarHBondContact O-N 3.21Å; S74-K109 PolarHBondContact N-O 3.05Å; S74-P111 WeakPolarHBondContact O-CD 3.35Å | ||
| 75 | S | 89.8 | Confident | 86.1 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -64.6 | -20.1 | 170.6 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | F77 E78 | S75-F77 PolarHBondContact O-N 2.77Å; S75-F77 VanDerWaalsContact O-N 3.07Å; S75-E78 WeakPolarHBondContact O-CB 3.3Å; S75-E78 PolarHBondContact O-N 3.31Å |
| 76 | R | 87 | Confident | 87.1 | Confident | 151 Ų | 151 | 52.2 Ų | 52.2 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -58 | -22.6 | 174.1 | -69.5 | -72.1 | -177.6 | 91.4 | 1.9 | 113.7 | S74 E78 M80 | S74-R76 PolarHBondContact O-N 3.08Å; S74-R76 WeakPolarHBondContact OG-CB 3.21Å; S74-R76 PolarHBondContact OG-N 3.32Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-M80 VanDerWaalsContact O-CE 3.22Å; R76-M80 WeakPolarHBondContact O-CE 3.45Å; R76-M80 VanDerWaalsContact O-SD 3.39Å |
| 77 | F | 87.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -87.4 | -4.3 | -178.9 | -57.4 | -46 | 0 | 0 | 0 | 113.8 | L44 V72 S74 S75 G79 M80 R85 V89 A108 K109 T110 | L44-F77 HydrophobicContact CD1-CZ 4.14Å; L44-F77 HydrophobicContact CD2-CE1 3.97Å; L44-F77 HydrophobicContact CD2-CZ 4.07Å; V72-F77 HydrophobicContact CB-CE2 4.31Å; V72-F77 HydrophobicContact CG1-CE2 3.7Å; V72-F77 HydrophobicContact CG1-CZ 3.75Å; V72-F77 HydrophobicContact CG2-CE2 3.94Å; V72-F77 HydrophobicContact CG2-CZ 4.12Å; S74-F77 WeakPolarHBondContact O-CD2 3.48Å; S74-F77 PolarHBondContact O-N 3.21Å; S75-F77 PolarHBondContact O-N 2.77Å; S75-F77 VanDerWaalsContact O-N 3.07Å; F77-G79 PolarHBondContact O-N 2.97Å; F77-M80 PolarHBondContact O-N 2.71Å; F77-R85 HydrophobicContact CB-CG 4.02Å; F77-R85 HydrophobicContact CD1-CB 3.97Å; F77-R85 HydrophobicContact CD1-CG 3.7Å; F77-R85 HydrophobicContact CE1-CB 4.3Å; F77-R85 HydrophobicContact CG-CG 4.08Å; F77-R85 PolarHBondContact O-NE 3.18Å; F77-R85 VanDerWaalsContact O-NE 3.17Å; F77-R85 PolarHBondContact O-NH2 3.06Å; F77-V89 HydrophobicContact CZ-CG2 4.39Å; F77-A108 HydrophobicContact CD1-CB 4.47Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.31Å; F77-A108 HydrophobicContact CE2-CB 4Å; F77-A108 HydrophobicContact CG-CB 4.39Å; F77-A108 HydrophobicContact CZ-CB 4.06Å; F77-K109 WeakPolarHBondContact CD2-O 3.18Å; F77-T110 HydrophobicContact CB-CG2 4.17Å |
| 78 | E | 87.3 | Confident | 88.6 | Confident | 136 Ų | 136 | 60.3 Ų | 60.3 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 129.9 | 178.2 | -163.9 | 162.8 | -151.9 | 0 | 0 | 110.4 | S75 R76 M80 T110 | S75-E78 WeakPolarHBondContact O-CB 3.3Å; S75-E78 PolarHBondContact O-N 3.31Å; R76-E78 VanDerWaalsContact C-N 3.33Å; E78-M80 PolarHBondContact O-N 3.44Å; E78-T110 HydrophobicContact CB-CG2 4.21Å |
| 79 | G | 88.1 | Confident | 88.8 | Confident | 84 Ų | 84 | 60 Ų | 60 | 87% | 0.866 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | -1.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | F77 | F77-G79 PolarHBondContact O-N 2.97Š|
| 80 | M | 88.4 | Confident | 89 | Confident | 64 Ų | 64 | 63 Ų | 63 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | trans | -92.3 | 144.2 | 175.5 | -63.4 | -171.3 | 179.8 | 0 | 0 | 112.5 | R76 F77 E78 Q84 R85 L88 | R76-M80 VanDerWaalsContact O-CE 3.22Å; R76-M80 WeakPolarHBondContact O-CE 3.45Å; R76-M80 VanDerWaalsContact O-SD 3.39Å; F77-M80 PolarHBondContact O-N 2.71Å; E78-M80 PolarHBondContact O-N 3.44Å; M80-Q84 HydrophobicContact CB-CB 4.44Å; M80-R85 HydrophobicContact CB-CG 3.97Å; M80-R85 PolarHBondContact O-NE 3.49Å; M80-R85 VanDerWaalsContact O-NE 3.15Å; M80-R85 PolarHBondContact O-NH2 3.27Å; M80-L88 HydrophobicContact CE-CD1 3.93Å; M80-L88 HydrophobicContact SD-CD1 3.46Å; M80-L88 WeakPolarHBondContact SD-CD1 3.37Å | ||
| 81 | S | 90.8 | Very high | 89 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | trans | -67.7 | 152.5 | 170.6 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | L83 Q84 R85 | S81-L83 PolarHBondContact O-N 2.83Å; S81-Q84 PolarHBondContact O-N 3.46Å; S81-Q84 VanDerWaalsContact O-N 3.08Å; S81-Q84 VanDerWaalsContact OG-CD 3.29Å; S81-Q84 VanDerWaalsContact OG-CG 3.26Å; S81-Q84 WeakPolarHBondContact OG-CG 3.22Å; S81-Q84 PolarHBondContact OG-N 3.25Å; S81-Q84 PolarHBondContact OG-OE1 3.22Å; S81-R85 WeakPolarHBondContact O-CG 3.46Å; S81-R85 PolarHBondContact O-N 3.46Å; S81-R85 VanDerWaalsContact O-N 3.15Å | ||
| 82 | P | 85.1 | Confident | 88.9 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -53 | -41.6 | 178.5 | -26.8 | 34.5 | 0 | 0 | 0 | 113.3 | Q84 R85 H86 | P82-Q84 PolarHBondContact O-N 3.12Å; P82-R85 PolarHBondContact O-N 2.91Å; P82-H86 PolarHBondContact O-CD2 3.36Å; P82-H86 PolarHBondContact O-N 3.45Å; P82-H86 VanDerWaalsContact O-N 3.12Å |
| 83 | L | 89.1 | Confident | 88.6 | Confident | 124 Ų | 124 | 67.4 Ų | 67.4 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63 | -44.2 | 178.5 | -175.5 | 63.9 | 0 | 0 | 0 | 111.9 | S81 R85 H86 R87 | S81-L83 PolarHBondContact O-N 2.83Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.11Å; L83-H86 PolarHBondContact O-N 3.45Å; L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.08Å |
| 84 | Q | 90.2 | Very high | 88.2 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.1 | -76.4 | 167.8 | -50.2 | 0 | 0 | 111.9 | M80 S81 P82 H86 R87 L88 | M80-Q84 HydrophobicContact CB-CB 4.44Å; S81-Q84 PolarHBondContact O-N 3.46Å; S81-Q84 VanDerWaalsContact O-N 3.08Å; S81-Q84 VanDerWaalsContact OG-CD 3.29Å; S81-Q84 VanDerWaalsContact OG-CG 3.26Å; S81-Q84 WeakPolarHBondContact OG-CG 3.22Å; S81-Q84 PolarHBondContact OG-N 3.25Å; S81-Q84 PolarHBondContact OG-OE1 3.22Å; P82-Q84 PolarHBondContact O-N 3.12Å; Q84-H86 VanDerWaalsContact C-N 3.34Å; Q84-H86 PolarHBondContact O-N 3.39Å; Q84-R87 PolarHBondContact O-N 3.44Å; Q84-L88 PolarHBondContact O-N 3.34Å |
| 85 | R | 90.7 | Very high | 87.7 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 12% | 0.117 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 176 | -58.7 | 174.6 | -170 | 170.1 | 7.8 | 111 | F77 M80 S81 P82 L83 R87 L88 V89 A108 | F77-R85 HydrophobicContact CB-CG 4.02Å; F77-R85 HydrophobicContact CD1-CB 3.97Å; F77-R85 HydrophobicContact CD1-CG 3.7Å; F77-R85 HydrophobicContact CE1-CB 4.3Å; F77-R85 HydrophobicContact CG-CG 4.08Å; F77-R85 PolarHBondContact O-NE 3.18Å; F77-R85 VanDerWaalsContact O-NE 3.17Å; F77-R85 PolarHBondContact O-NH2 3.06Å; M80-R85 HydrophobicContact CB-CG 3.97Å; M80-R85 PolarHBondContact O-NE 3.49Å; M80-R85 VanDerWaalsContact O-NE 3.15Å; M80-R85 PolarHBondContact O-NH2 3.27Å; S81-R85 WeakPolarHBondContact O-CG 3.46Å; S81-R85 PolarHBondContact O-N 3.46Å; S81-R85 VanDerWaalsContact O-N 3.15Å; P82-R85 PolarHBondContact O-N 2.91Å; L83-R85 VanDerWaalsContact C-N 3.32Å; L83-R85 PolarHBondContact O-N 3.11Å; R85-R87 PolarHBondContact O-N 3.17Å; R85-L88 PolarHBondContact O-N 3.02Å; R85-V89 WeakPolarHBondContact O-CG2 3.43Å; R85-V89 PolarHBondContact O-N 3.5Å; R85-V89 VanDerWaalsContact O-N 3.1Å; R85-A108 HydrophobicContact CB-CB 3.67Å; R85-A108 HydrophobicContact CG-CB 4.35Å; R85-A108 PolarHBondContact NH1-O 3.14Å; R85-A108 VanDerWaalsContact NH1-O 3.13Å |
| 86 | H | 88.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 33% | 0.333 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 177.9 | -73.1 | -144 | 0 | 0 | 0 | 111.4 | P82 L83 Q84 L88 V89 H90 I106 | P82-H86 PolarHBondContact O-CD2 3.36Å; P82-H86 PolarHBondContact O-N 3.45Å; P82-H86 VanDerWaalsContact O-N 3.12Å; L83-H86 PolarHBondContact O-N 3.45Å; Q84-H86 VanDerWaalsContact C-N 3.34Å; Q84-H86 PolarHBondContact O-N 3.39Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.13Å; H86-V89 PolarHBondContact O-N 3.41Å; H86-H90 WeakPolarHBondContact O-CB 3.45Å; H86-H90 PolarHBondContact O-N 3.1Å; H86-I106 PolarHBondContact NE2-O 3.43Å |
| 87 | R | 90.4 | Very high | 86.5 | Confident | 184 Ų | 184 | 70.8 Ų | 70.8 | 69% | 0.694 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.8 | -39.3 | 176.1 | -66.9 | -157 | 85.6 | 176.6 | 6.6 | 112.6 | L83 Q84 R85 H90 A91 | L83-R87 WeakPolarHBondContact O-CG 3.41Å; L83-R87 PolarHBondContact O-N 3.08Å; Q84-R87 PolarHBondContact O-N 3.44Å; R85-R87 PolarHBondContact O-N 3.17Å; R87-H90 PolarHBondContact O-N 3.33Å; R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 3.3Å |
| 88 | L | 88.6 | Confident | 85.8 | Confident | 76 Ų | 76 | 75 Ų | 75 | 40% | 0.398 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.8 | -81.2 | 170.1 | 0 | 0 | 0 | 111.8 | M80 Q84 R85 H86 A91 A92 | M80-L88 HydrophobicContact CE-CD1 3.93Å; M80-L88 HydrophobicContact SD-CD1 3.46Å; M80-L88 WeakPolarHBondContact SD-CD1 3.37Å; Q84-L88 PolarHBondContact O-N 3.34Å; R85-L88 PolarHBondContact O-N 3.02Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.13Å; L88-A91 PolarHBondContact O-N 2.84Å; L88-A92 PolarHBondContact O-N 3Å |
| 89 | V | 88.4 | Confident | 85 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L40 L44 V72 F77 R85 H86 A91 A92 L93 L104 I106 | L40-V89 HydrophobicContact CD2-CG1 3.96Å; L44-V89 HydrophobicContact CD1-CG2 3.94Å; V72-V89 HydrophobicContact CG1-CG2 4.24Å; F77-V89 HydrophobicContact CZ-CG2 4.39Å; R85-V89 WeakPolarHBondContact O-CG2 3.43Å; R85-V89 PolarHBondContact O-N 3.5Å; R85-V89 VanDerWaalsContact O-N 3.1Å; H86-V89 PolarHBondContact O-N 3.41Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 3.34Å; V89-A92 PolarHBondContact O-N 2.66Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 WeakPolarHBondContact O-CB 3.47Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.93Å; V89-L104 HydrophobicContact CG1-CD1 4.43Å; V89-I106 HydrophobicContact CB-CD1 3.93Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.54Å; V89-I106 HydrophobicContact CG1-CG1 3.82Å; V89-I106 HydrophobicContact CG1-CG2 4Å; V89-I106 HydrophobicContact CG2-CG2 4.04Å |
| 90 | H | 88.3 | Confident | 84.1 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 39% | 0.389 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 174.4 | -79.1 | -168.3 | 0 | 0 | 0 | 112.6 | H86 R87 L93 S94 I106 | H86-H90 WeakPolarHBondContact O-CB 3.45Å; H86-H90 PolarHBondContact O-N 3.1Å; R87-H90 PolarHBondContact O-N 3.33Å; H90-L93 CarbonylContact O-C 3.47Å; H90-L93 PolarHBondContact O-N 3.48Å; H90-S94 WeakPolarHBondContact O-CA 3.17Å; H90-S94 WeakPolarHBondContact O-CB 3.34Å; H90-S94 PolarHBondContact O-N 3.14Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.41Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.21Å |
| 91 | A | 88.3 | Confident | 83.3 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | R87 L88 V89 L93 S94 | R87-A91 VanDerWaalsContact O-CB 3.26Å; R87-A91 WeakPolarHBondContact O-CB 3.25Å; R87-A91 PolarHBondContact O-N 3.3Å; L88-A91 PolarHBondContact O-N 2.84Å; V89-A91 VanDerWaalsContact C-N 3.31Å; V89-A91 PolarHBondContact O-N 3.34Å; A91-L93 VanDerWaalsContact C-N 3.28Å; A91-L93 PolarHBondContact O-N 2.79Å; A91-S94 PolarHBondContact O-N 2.94Å; A91-S94 PolarHBondContact O-OG 3.46Å |
| 92 | A | 87.3 | Confident | 82.2 | Confident | 26 Ų | 26 | 72.5 Ų | 72.5 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.5 | -31.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A43 L88 V89 | A43-A92 HydrophobicContact CB-CB 4.04Å; L88-A92 PolarHBondContact O-N 3Å; V89-A92 PolarHBondContact O-N 2.66Å |
| 93 | L | 85.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 7.5 | -178.3 | -61.2 | 179.2 | 0 | 0 | 0 | 113.8 | I36 K39 L40 V89 H90 A91 E95 E96 L97 L104 | I36-L93 HydrophobicContact CB-CD2 4.25Å; I36-L93 HydrophobicContact CG1-CD2 4.3Å; I36-L93 HydrophobicContact CG2-CD1 3.98Å; I36-L93 HydrophobicContact CG2-CD2 3.83Å; K39-L93 HydrophobicContact CB-CD2 4.2Å; L40-L93 HydrophobicContact CD1-CD1 4.34Å; L40-L93 HydrophobicContact CD2-CD1 4.09Å; L40-L93 HydrophobicContact CD2-CD2 4.18Å; L40-L93 HydrophobicContact CD2-CG 4.05Å; L40-L93 HydrophobicContact CG-CD1 4.42Å; L40-L93 HydrophobicContact CG-CD2 4.11Å; L40-L93 HydrophobicContact CG-CG 4.46Å; V89-L93 HydrophobicContact CG1-CD1 3.92Å; V89-L93 WeakPolarHBondContact O-CB 3.47Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 2.93Å; H90-L93 CarbonylContact O-C 3.47Å; H90-L93 PolarHBondContact O-N 3.48Å; A91-L93 VanDerWaalsContact C-N 3.28Å; A91-L93 PolarHBondContact O-N 2.79Å; L93-E95 PolarHBondContact O-N 3.49Å; L93-E96 PolarHBondContact O-N 2.91Å; L93-L97 HydrophobicContact CB-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.12Å; L93-L104 HydrophobicContact CD1-CD1 3.64Å; L93-L104 HydrophobicContact CD1-CD2 4.49Å |
| 94 | S | 83.3 | Confident | 81.3 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.2 | -35 | -174.4 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | H90 A91 A98 | H90-S94 WeakPolarHBondContact O-CA 3.17Å; H90-S94 WeakPolarHBondContact O-CB 3.34Å; H90-S94 PolarHBondContact O-N 3.14Å; A91-S94 PolarHBondContact O-N 2.94Å; A91-S94 PolarHBondContact O-OG 3.46Å; S94-A98 PolarHBondContact O-N 3.49Å; S94-A98 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 80.1 | Confident | 81 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 174.4 | -69.9 | 168.1 | -148.1 | 0 | 0 | 112.4 | K39 L93 | K39-E95 IonicContact NZ-OE1 3.64Å; K39-E95 IonicContact NZ-OE2 3.83Å; K39-E95 PolarHBondContact NZ-OE2 3.26Å; L93-E95 PolarHBondContact O-N 3.49Å |
| 96 | E | 76.6 | Confident | 80.9 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 20% | 0.201 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.3 | -34.6 | -180 | -57.6 | -57.8 | 141.2 | 0 | 0 | 111.9 | I36 L93 A98 G99 | I36-E96 HydrophobicContact CG1-CB 4.48Å; I36-E96 HydrophobicContact CG1-CG 4.41Å; L93-E96 PolarHBondContact O-N 2.91Å; E96-A98 VanDerWaalsContact C-N 3.27Å; E96-A98 PolarHBondContact O-N 3.47Å; E96-G99 PolarHBondContact O-N 3.24Å; E96-G99 VanDerWaalsContact O-N 3.14Å |
| 97 | L | 74.5 | Confident | 80.9 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 27% | 0.272 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69 | -23.7 | 175.4 | -77.4 | 166 | 0 | 0 | 0 | 113.2 | L93 G99 V101 L104 | L93-L97 HydrophobicContact CB-CD1 4.32Å; L93-L97 WeakPolarHBondContact O-CB 3.42Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.12Å; L97-G99 PolarHBondContact O-N 3.41Å; L97-V101 HydrophobicContact CD2-CB 4.11Å; L97-V101 HydrophobicContact CD2-CG1 3.77Å; L97-L104 HydrophobicContact CD1-CD2 3.68Å; L97-L104 HydrophobicContact CD2-CD2 3.47Å; L97-L104 VanDerWaalsContact CD2-CD2 3.47Å; L97-L104 HydrophobicContact CG-CD2 3.92Å |
| 98 | A | 72.1 | Confident | 80.9 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 74% | 0.744 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -10.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | S94 E96 | S94-A98 PolarHBondContact O-N 3.49Å; S94-A98 VanDerWaalsContact O-N 3.14Å; E96-A98 VanDerWaalsContact C-N 3.27Å; E96-A98 PolarHBondContact O-N 3.47Å |
| 99 | G | 71.9 | Confident | 80.9 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 53% | 0.526 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -114 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | E96 L97 | E96-G99 PolarHBondContact O-N 3.24Å; E96-G99 VanDerWaalsContact O-N 3.14Å; L97-G99 PolarHBondContact O-N 3.41Å |
| 100 | P | 67.9 | Low | 81 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -20.8 | -167.9 | 30.8 | -34.7 | 0 | 0 | 0 | 114.8 | V32 H102 | V32-P100 HydrophobicContact CG1-CG 4.22Å; V32-P100 HydrophobicContact CG2-CG 3.94Å; P100-H102 PolarHBondContact O-N 2.76Å |
| 101 | V | 72 | Confident | 81.1 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | trans | -83.9 | 116.7 | -172.8 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | V32 I36 F68 L97 | V32-V101 HydrophobicContact CG1-CG2 3.8Å; I36-V101 HydrophobicContact CD1-CG2 4.14Å; F68-V101 HydrophobicContact CD2-CG1 3.98Å; F68-V101 HydrophobicContact CD2-CG2 3.98Å; F68-V101 HydrophobicContact CE2-CG2 3.93Å; L97-V101 HydrophobicContact CD2-CB 4.11Å; L97-V101 HydrophobicContact CD2-CG1 3.77Å | ||
| 102 | H | 68.5 | Low | 81.1 | Confident | 156 Ų | 156 | 45.8 Ų | 45.8 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -82.2 | -41.7 | 177 | -92.5 | 59.9 | 0 | 0 | 0 | 112.9 | T66 P100 | T66-H102 HydrophobicContact CG2-CB 4.49Å; T66-H102 PolarHBondContact O-N 3.07Å; T66-H102 VanDerWaalsContact O-N 3.11Å; P100-H102 PolarHBondContact O-N 2.76Å |
| 103 | A | 71.9 | Confident | 81.1 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 137.2 | -180 | 0 | 0 | 0 | 0 | 0 | 110.9 | T66 H67 F68 | T66-A103 PolarHBondContact O-N 2.81Å; H67-A103 WeakPolarHBondContact CA-O 3.2Å; F68-A103 PolarHBondContact N-O 2.69Å; F68-A103 VanDerWaalsContact N-O 3.14Å |
| 104 | L | 82 | Confident | 81.3 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.1 | 168 | 82 | 141 | 0 | 0 | 0 | 112.3 | F68 V70 V89 L93 L97 I106 | F68-L104 HydrophobicContact CB-CB 4.43Å; F68-L104 CarbonylContact O-C 3.55Å; F68-L104 WeakPolarHBondContact O-CA 3.11Å; V70-L104 HydrophobicContact CG1-CD1 3.75Å; V89-L104 HydrophobicContact CG1-CD1 4.43Å; L93-L104 HydrophobicContact CD1-CD1 3.64Å; L93-L104 HydrophobicContact CD1-CD2 4.49Å; L97-L104 HydrophobicContact CD1-CD2 3.68Å; L97-L104 HydrophobicContact CD2-CD2 3.47Å; L97-L104 VanDerWaalsContact CD2-CD2 3.47Å; L97-L104 HydrophobicContact CG-CD2 3.92Å; L104-I106 HydrophobicContact CD1-CD1 3.71Å; L104-I106 HydrophobicContact CD1-CG1 3.28Å; L104-I106 HydrophobicContact CD2-CD1 4.44Å; L104-I106 HydrophobicContact CG-CD1 3.98Å; L104-I106 HydrophobicContact CG-CG1 3.77Å |
| 105 | A | 84.9 | Confident | 81.5 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F68 R69 V70 | F68-A105 PolarHBondContact O-N 3.27Å; R69-A105 WeakPolarHBondContact CA-O 3.42Å; R69-A105 HydrophobicContact CB-CB 4.29Å; R69-A105 HydrophobicContact CG-CB 4.17Å; V70-A105 PolarHBondContact N-O 2.82Å |
| 106 | I | 87.8 | Confident | 81.8 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.077 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.8 | -178.2 | -60.3 | 159.6 | 0 | 0 | 0 | 109.3 | V70 H86 V89 H90 L104 A108 | V70-I106 HydrophobicContact CG1-CB 4.38Å; V70-I106 HydrophobicContact CG1-CG1 3.95Å; V70-I106 HydrophobicContact CG1-CG2 4.45Å; V70-I106 CarbonylContact O-C 3.48Å; V70-I106 WeakPolarHBondContact O-CA 2.84Å; H86-I106 PolarHBondContact NE2-O 3.43Å; V89-I106 HydrophobicContact CB-CD1 3.93Å; V89-I106 HydrophobicContact CB-CG2 4.16Å; V89-I106 HydrophobicContact CG1-CD1 3.54Å; V89-I106 HydrophobicContact CG1-CG1 3.82Å; V89-I106 HydrophobicContact CG1-CG2 4Å; V89-I106 HydrophobicContact CG2-CG2 4.04Å; H90-I106 WeakPolarHBondContact CD2-CD1 3.41Å; H90-I106 WeakPolarHBondContact NE2-CD1 3.21Å; L104-I106 HydrophobicContact CD1-CD1 3.71Å; L104-I106 HydrophobicContact CD1-CG1 3.28Å; L104-I106 HydrophobicContact CD2-CD1 4.44Å; L104-I106 HydrophobicContact CG-CD1 3.98Å; L104-I106 HydrophobicContact CG-CG1 3.77Å; I106-A108 HydrophobicContact CG2-CB 4.27Å |
| 107 | Q | 88.8 | Confident | 82.2 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 93.8 | 169.5 | -62.7 | -174.6 | -76.8 | 0 | 0 | 108.7 | V70 A71 V72 D121 | V70-Q107 PolarHBondContact O-N 2.92Å; A71-Q107 WeakPolarHBondContact CA-O 3.27Å; A71-Q107 HydrophobicContact CB-CB 3.97Å; V72-Q107 PolarHBondContact N-O 3.11Å; Q107-D121 PolarHBondContact NE2-OD2 3.04Å |
| 108 | A | 90.1 | Very high | 82.3 | Confident | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 99.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | V72 F77 R85 I106 | V72-A108 HydrophobicContact CG1-CB 4.01Å; V72-A108 WeakPolarHBondContact O-CA 3.38Å; F77-A108 HydrophobicContact CD1-CB 4.47Å; F77-A108 HydrophobicContact CD2-CB 4.16Å; F77-A108 HydrophobicContact CE1-CB 4.31Å; F77-A108 HydrophobicContact CE2-CB 4Å; F77-A108 HydrophobicContact CG-CB 4.39Å; F77-A108 HydrophobicContact CZ-CB 4.06Å; R85-A108 HydrophobicContact CB-CB 3.67Å; R85-A108 HydrophobicContact CG-CB 4.35Å; R85-A108 PolarHBondContact NH1-O 3.14Å; R85-A108 VanDerWaalsContact NH1-O 3.13Å; I106-A108 HydrophobicContact CG2-CB 4.27Å |
| 109 | K | 89.3 | Confident | 82.3 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 153.4 | -178.6 | -70.3 | -179.7 | 173.5 | -179.4 | 0 | 110.7 | V72 V73 S74 F77 Q113 W114 N117 Q119 | V72-K109 PolarHBondContact O-N 3.15Å; V73-K109 WeakPolarHBondContact CA-O 3.24Å; V73-K109 HydrophobicContact CG2-CB 4.49Å; S74-K109 PolarHBondContact N-O 3.05Å; F77-K109 WeakPolarHBondContact CD2-O 3.18Å; K109-Q113 HydrophobicContact CB-CB 4.37Å; K109-W114 HydrophobicContact CD-CE3 3.99Å; K109-W114 HydrophobicContact CD-CZ3 4.44Å; K109-N117 PolarHBondContact NZ-O 3.48Å; K109-N117 VanDerWaalsContact NZ-O 3.11Å; K109-Q119 PolarHBondContact NZ-O 2.9Å |
| 110 | T | 91.2 | Very high | 82.1 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | trans | -81.5 | 156.8 | 168.1 | 59.2 | 0 | 0 | 0 | 0 | 109.8 | F77 E78 A112 Q113 W114 | F77-T110 HydrophobicContact CB-CG2 4.17Å; E78-T110 HydrophobicContact CB-CG2 4.21Å; T110-A112 PolarHBondContact O-N 2.7Å; T110-Q113 PolarHBondContact O-N 3.06Å; T110-Q113 VanDerWaalsContact O-N 3.1Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.39Å; T110-Q113 PolarHBondContact OG1-N 3.39Å; T110-Q113 PolarHBondContact OG1-NE2 3.02Å; T110-W114 PolarHBondContact O-N 3.27Å | ||
| 111 | P | 89.1 | Confident | 81.9 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -32.6 | 174.8 | 20.7 | -33 | 0 | 0 | 0 | 112.6 | V73 S74 W114 R115 | V73-P111 HydrophobicContact CG1-CB 4.18Å; S74-P111 WeakPolarHBondContact O-CD 3.35Å; P111-W114 PolarHBondContact O-N 3.24Å; P111-R115 WeakPolarHBondContact O-CG 3.4Å; P111-R115 PolarHBondContact O-N 3.16Å; P111-R115 VanDerWaalsContact O-N 3.08Å |
| 112 | A | 88.9 | Confident | 81.2 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -52.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T110 W114 R115 E116 | T110-A112 PolarHBondContact O-N 2.7Å; A112-W114 VanDerWaalsContact C-N 3.26Å; A112-W114 PolarHBondContact O-N 3.06Å; A112-R115 WeakPolarHBondContact O-CB 3.26Å; A112-R115 PolarHBondContact O-N 3.06Å; A112-R115 VanDerWaalsContact O-N 3.17Å; A112-E116 PolarHBondContact O-N 2.8Å |
| 113 | Q | 87.2 | Confident | 80.6 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 177.8 | -74.9 | 169.6 | 87.7 | 0 | 0 | 112.4 | K109 T110 E116 N117 | K109-Q113 HydrophobicContact CB-CB 4.37Å; T110-Q113 PolarHBondContact O-N 3.06Å; T110-Q113 VanDerWaalsContact O-N 3.1Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.39Å; T110-Q113 PolarHBondContact OG1-N 3.39Å; T110-Q113 PolarHBondContact OG1-NE2 3.02Å; Q113-E116 PolarHBondContact O-N 3.4Å; Q113-N117 PolarHBondContact O-N 3.32Å |
| 114 | W | 89.2 | Confident | 79.8 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 177.1 | -173.9 | -101.9 | 0 | 0 | 0 | 112.6 | V48 V73 K109 T110 P111 A112 E116 N117 P118 L120 | V48-W114 HydrophobicContact CG1-CZ2 3.99Å; V73-W114 HydrophobicContact CB-CB 4.49Å; V73-W114 HydrophobicContact CG1-CB 3.68Å; V73-W114 HydrophobicContact CG1-CG 4.1Å; V73-W114 HydrophobicContact CG2-CB 3.95Å; V73-W114 HydrophobicContact CG2-CD2 3.53Å; V73-W114 HydrophobicContact CG2-CE3 3.5Å; V73-W114 VanDerWaalsContact CG2-CE3 3.5Å; V73-W114 HydrophobicContact CG2-CG 3.73Å; V73-W114 HydrophobicContact CG2-CZ3 4.17Å; K109-W114 HydrophobicContact CD-CE3 3.99Å; K109-W114 HydrophobicContact CD-CZ3 4.44Å; T110-W114 PolarHBondContact O-N 3.27Å; P111-W114 PolarHBondContact O-N 3.24Å; A112-W114 VanDerWaalsContact C-N 3.26Å; A112-W114 PolarHBondContact O-N 3.06Å; W114-E116 VanDerWaalsContact C-N 3.27Å; W114-E116 PolarHBondContact O-N 3.19Å; W114-N117 CarbonylContact O-C 3.36Å; W114-P118 HydrophobicContact CD2-CB 4.13Å; W114-P118 WeakPolarHBondContact CH2-O 3.34Å; W114-P118 HydrophobicContact CZ2-CB 3.99Å; W114-P118 WeakPolarHBondContact CZ2-O 3.38Å; W114-P118 WeakPolarHBondContact CZ3-O 3.26Å; W114-P118 WeakPolarHBondContact O-CA 3.47Å; W114-P118 WeakPolarHBondContact O-CB 3.48Å; W114-P118 WeakPolarHBondContact O-CD 3.4Å; W114-L120 HydrophobicContact CH2-CD2 3.69Å; W114-L120 HydrophobicContact CH2-CG 4.29Å; W114-L120 HydrophobicContact CZ3-CD2 3.67Å |
| 115 | R | 86.9 | Confident | 78.6 | Confident | 199 Ų | 199 | 71.4 Ų | 71.4 | 75% | 0.751 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.8 | -35.3 | 174.4 | -73.3 | 173.5 | -173.6 | 161.8 | 4.4 | 112 | P111 A112 | P111-R115 WeakPolarHBondContact O-CG 3.4Å; P111-R115 PolarHBondContact O-N 3.16Å; P111-R115 VanDerWaalsContact O-N 3.08Å; A112-R115 WeakPolarHBondContact O-CB 3.26Å; A112-R115 PolarHBondContact O-N 3.06Å; A112-R115 VanDerWaalsContact O-N 3.17Å |
| 116 | E | 87.4 | Confident | 76.7 | Confident | 163 Ų | 163 | 75.5 Ų | 75.5 | 76% | 0.762 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -76.1 | -45.6 | 177.8 | -66 | 179.4 | 92.8 | 0 | 0 | 112.4 | A112 Q113 W114 | A112-E116 PolarHBondContact O-N 2.8Å; Q113-E116 PolarHBondContact O-N 3.4Å; W114-E116 VanDerWaalsContact C-N 3.27Å; W114-E116 PolarHBondContact O-N 3.19Å |
| 117 | N | 83.6 | Confident | 75.2 | Confident | 66 Ų | 66 | 83 Ų | 83 | 35% | 0.353 | 45% | 0.454 | S | S | . | . | trans | -139.1 | 90.2 | 177.9 | -175.8 | 14.4 | 0 | 0 | 0 | 111.7 | K109 Q113 W114 Q119 | K109-N117 PolarHBondContact NZ-O 3.48Å; K109-N117 VanDerWaalsContact NZ-O 3.11Å; Q113-N117 PolarHBondContact O-N 3.32Å; W114-N117 CarbonylContact O-C 3.36Å; N117-Q119 PolarHBondContact O-N 3.44Å; N117-Q119 VanDerWaalsContact OD1-CB 3.29Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.27Å; N117-Q119 PolarHBondContact OD1-N 3.14Å; N117-Q119 VanDerWaalsContact OD1-N 3.12Å | ||
| 118 | P | 77.1 | Confident | 73.4 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | trans | -77.5 | 3.7 | 177.9 | 31.7 | -34.7 | 0 | 0 | 0 | 112.7 | W114 | W114-P118 HydrophobicContact CD2-CB 4.13Å; W114-P118 WeakPolarHBondContact CH2-O 3.34Å; W114-P118 HydrophobicContact CZ2-CB 3.99Å; W114-P118 WeakPolarHBondContact CZ2-O 3.38Å; W114-P118 WeakPolarHBondContact CZ3-O 3.26Å; W114-P118 WeakPolarHBondContact O-CA 3.47Å; W114-P118 WeakPolarHBondContact O-CB 3.48Å; W114-P118 WeakPolarHBondContact O-CD 3.4Å | ||
| 119 | Q | 72.8 | Confident | 71.6 | Confident | 139 Ų | 139 | 87.8 Ų | 87.8 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | trans | -75.2 | 134.4 | 179.9 | -60.5 | -169.8 | -27.3 | 0 | 0 | 111.1 | K109 N117 | K109-Q119 PolarHBondContact NZ-O 2.9Å; N117-Q119 PolarHBondContact O-N 3.44Å; N117-Q119 VanDerWaalsContact OD1-CB 3.29Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.27Å; N117-Q119 PolarHBondContact OD1-N 3.14Å; N117-Q119 VanDerWaalsContact OD1-N 3.12Å | ||
| 120 | L | 68.5 | Low | 69.5 | Low | 35 Ų | 35 | 92.3 Ų | 92.3 | 18% | 0.183 | 55% | 0.547 | C | S | . | . | trans | -83 | 115.1 | 164 | -56.8 | -175.4 | 0 | 0 | 0 | 106.9 | E50 A71 W114 T122 | E50-L120 HydrophobicContact CB-CD1 3.89Å; E50-L120 HydrophobicContact CG-CD1 4.23Å; A71-L120 HydrophobicContact CB-CD1 4.31Å; A71-L120 HydrophobicContact CB-CD2 3.16Å; A71-L120 HydrophobicContact CB-CG 4.35Å; W114-L120 HydrophobicContact CH2-CD2 3.69Å; W114-L120 HydrophobicContact CH2-CG 4.29Å; W114-L120 HydrophobicContact CZ3-CD2 3.67Å; L120-T122 PolarHBondContact O-N 2.84Å; L120-T122 PolarHBondContact O-OG1 2.83Å | ||
| 121 | D | 62.7 | Low | 67.2 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | trans | -61.1 | 77.8 | 178.4 | -58.1 | -62.5 | 0 | 0 | 0 | 111.2 | R69 Q107 S123 | R69-D121 VanDerWaalsContact NH1-C 3.34Å; R69-D121 PolarHBondContact NH1-O 3.44Å; Q107-D121 PolarHBondContact NE2-OD2 3.04Å; D121-S123 PolarHBondContact O-N 2.87Å | ||
| 122 | T | 58.3 | Low | 65.1 | Low | 106 Ų | 106 | 109.1 Ų | 109.1 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.1 | 178.9 | -58.6 | 0 | 0 | 0 | 0 | 108.1 | L120 | L120-T122 PolarHBondContact O-N 2.84Å; L120-T122 PolarHBondContact O-OG1 2.83Å |
| 123 | S | 54.7 | Low | 63.1 | Low | 70 Ų | 70 | 113 Ų | 113 | 49% | 0.49 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -51.1 | 134.5 | -179.3 | -75.1 | 0 | 0 | 0 | 0 | 109.5 | R69 D121 | R69-S123 PolarHBondContact NH2-OG 2.82Å; D121-S123 PolarHBondContact O-N 2.87Å |
| 124 | P | 55.3 | Low | 61.4 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 72% | 0.721 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 140.1 | 177.6 | -24 | 31.2 | 0 | 0 | 0 | 109.6 | C126 | P124-C126 PolarHBondContact O-N 3.46Š|
| 125 | P | 57.6 | Low | 59.8 | Low | 119 Ų | 119 | 121.8 Ų | 121.8 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 117.5 | 176.7 | 22.6 | -31.9 | 0 | 0 | 0 | 107.9 | L127 | P125-L127 PolarHBondContact O-N 2.81Š|
| 126 | C | 44.3 | Very low | 57.8 | Low | 128 Ų | 128 | 119.2 Ų | 119.2 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | trans | -60.3 | 100.6 | -178.2 | -139 | 0 | 0 | 0 | 0 | 107.2 | P124 G128 | P124-C126 PolarHBondContact O-N 3.46Å; C126-G128 PolarHBondContact O-N 2.98Å | ||
| 127 | L | 57.2 | Low | 56.1 | Low | 173 Ų | 173 | 120.6 Ų | 120.6 | 91% | 0.906 | 72% | 0.724 | S | S | * | * | trans | -66.6 | 92.4 | 170.3 | -80.8 | 161.4 | 0 | 0 | 0 | 106.5 | P125 | P125-L127 PolarHBondContact O-N 2.81Š| ||
| 128 | G | 50.9 | Low | 54.7 | Low | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -48.8 | 135.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C126 S130 | C126-G128 PolarHBondContact O-N 2.98Å; G128-S130 PolarHBondContact O-N 3.11Å | ||
| 129 | G | 51 | Low | 53.5 | Low | 73 Ų | 73 | 126.2 Ų | 126.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -51.3 | 131.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K131 | G129-K131 PolarHBondContact O-N 3.4Š| ||
| 130 | S | 45.5 | Very low | 52.4 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -57.1 | 102.7 | 164 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | G128 K132 | G128-S130 PolarHBondContact O-N 3.11Å; S130-K132 PolarHBondContact O-N 3.25Å; S130-K132 VanDerWaalsContact O-N 3.14Å | ||
| 131 | K | 42.4 | Very low | 51.5 | Low | 190 Ų | 190 | 130.8 Ų | 130.8 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -52.2 | 113.9 | 172.9 | -172 | 176 | -176.4 | 175.7 | 0 | 109.4 | G129 T133 | G129-K131 PolarHBondContact O-N 3.4Å; K131-T133 PolarHBondContact O-N 3.11Å | ||
| 132 | K | 46.6 | Very low | 50.8 | Low | 193 Ų | 193 | 132.9 Ų | 132.9 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -55.1 | 108.4 | 166.8 | -84.2 | -174 | 176.9 | -179.6 | 0 | 109.4 | S130 R134 | S130-K132 PolarHBondContact O-N 3.25Å; S130-K132 VanDerWaalsContact O-N 3.14Å; K132-R134 PolarHBondContact O-N 3.4Å | ||
| 133 | T | 45.3 | Very low | 50.3 | Low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -85 | 95.3 | 157.6 | 52.1 | 0 | 0 | 0 | 0 | 107.7 | K131 G135 | K131-T133 PolarHBondContact O-N 3.11Å; T133-G135 PolarHBondContact O-N 3.14Å; T133-G135 VanDerWaalsContact O-N 3.11Å | ||
| 134 | R | 52.1 | Low | 50 | Low | 231 Ų | 231 | 139.3 Ų | 139.3 | 87% | 0.872 | 85% | 0.851 | S | S | * | * | trans | -69.3 | 100.8 | 162.8 | -91.2 | -171.8 | -75.8 | -161.6 | -2.6 | 107.2 | K132 | K132-R134 PolarHBondContact O-N 3.4Š| ||
| 135 | G | 55.5 | Low | 49.5 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 86% | 0.861 | S | S | * | * | trans | -81.4 | 109.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | T133 | T133-G135 PolarHBondContact O-N 3.14Å; T133-G135 VanDerWaalsContact O-N 3.11Å | ||
| 136 | T | 45.9 | Very low | 48.9 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 90% | 0.896 | 87% | 0.868 | S | S | * | * | trans | -55.8 | 131.4 | 160 | -5.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 137 | S | 49.9 | Very low | 49.3 | Very low | 191 Ų | 191 | 144.7 Ų | 144.7 | 100% | 1.336 | 87% | 0.868 | S | S | * | * | trans | -148.7 | 0 | 151 | -157.5 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 137 of 137 residues in 176.1 ms
(Link to these results)