| 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 | 43.1 | Very low | 64.5 | Low | 236 Ų | 236 | 114.4 Ų | 114.4 | 100% | 1.163 | 62% | 0.624 | S | S | * | * | 0 | 128.5 | 0 | -75 | 174.7 | 159.5 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 3.37Š| |||
| 2 | Q | 49.1 | Very low | 65.8 | Low | 169 Ų | 169 | 111.3 Ų | 111.3 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | trans | -72.6 | 113.4 | -160.4 | -65 | -110.2 | 18.3 | 0 | 0 | 112.4 | S4 | Q2-S4 VanDerWaalsContact C-N 3.3Å; Q2-S4 PolarHBondContact OE1-OG 3.47Å; Q2-S4 VanDerWaalsContact OE1-OG 3.07Å | ||
| 3 | L | 55.7 | Low | 66.4 | Low | 148 Ų | 148 | 109.2 Ų | 109.2 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | trans | -88.2 | 6.9 | 171 | -88.2 | 131.6 | 0 | 0 | 0 | 113 | M1 N5 S6 | M1-L3 PolarHBondContact O-N 3.37Å; L3-N5 PolarHBondContact O-N 2.81Å; L3-S6 PolarHBondContact O-N 3.23Å; L3-S6 PolarHBondContact O-OG 2.74Å | ||
| 4 | S | 59.5 | Low | 66.9 | Low | 64 Ų | 64 | 109.1 Ų | 109.1 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -10.1 | -177.1 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | Q2 | Q2-S4 VanDerWaalsContact C-N 3.3Å; Q2-S4 PolarHBondContact OE1-OG 3.47Å; Q2-S4 VanDerWaalsContact OE1-OG 3.07Å |
| 5 | N | 60.7 | Low | 67.2 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -9.4 | -179.5 | -86.4 | -13.9 | 0 | 0 | 0 | 114.7 | L3 F9 | L3-N5 PolarHBondContact O-N 2.81Å; N5-F9 WeakPolarHBondContact O-CB 3.24Å; N5-F9 PolarHBondContact O-N 2.95Å; N5-F9 VanDerWaalsContact O-N 3.08Å |
| 6 | S | 66.6 | Low | 67.3 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 57% | 0.566 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.8 | -41.2 | -179.8 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | L3 F9 G10 | L3-S6 PolarHBondContact O-N 3.23Å; L3-S6 PolarHBondContact O-OG 2.74Å; S6-F9 PolarHBondContact O-N 3.35Å; S6-G10 PolarHBondContact O-N 2.98Å; S6-G10 VanDerWaalsContact O-N 3.13Å |
| 7 | P | 72.5 | Confident | 67.3 | Low | 77 Ų | 77 | 110.2 Ų | 110.2 | 50% | 0.5 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73 | -31.8 | 178.4 | 30.1 | -35.2 | 0 | 0 | 0 | 111.7 | G10 L11 | P7-G10 PolarHBondContact O-N 2.88Å; P7-L11 WeakPolarHBondContact O-CB 3.36Å; P7-L11 VanDerWaalsContact O-CG 3.31Å; P7-L11 WeakPolarHBondContact O-CG 2.96Å; P7-L11 PolarHBondContact O-N 2.92Å |
| 8 | L | 73.9 | Confident | 67 | Low | 100 Ų | 100 | 109.7 Ų | 109.7 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 175.9 | -76.8 | 164.5 | 0 | 0 | 0 | 111.2 | L11 V12 | L8-L11 PolarHBondContact O-N 3.19Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.29Å |
| 9 | F | 72.3 | Confident | 66.7 | Low | 141 Ų | 141 | 107.9 Ų | 107.9 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 176.7 | -148.9 | -93.3 | 0 | 0 | 0 | 111.9 | N5 S6 V12 L13 | N5-F9 WeakPolarHBondContact O-CB 3.24Å; N5-F9 PolarHBondContact O-N 2.95Å; N5-F9 VanDerWaalsContact O-N 3.08Å; S6-F9 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 3.35Å; F9-L13 HydrophobicContact CD1-CD1 3.86Å; F9-L13 HydrophobicContact CD1-CG 4.25Å; F9-L13 HydrophobicContact CE1-CD1 4.07Å; F9-L13 HydrophobicContact CE1-CG 4.36Å; F9-L13 WeakPolarHBondContact O-CG 3.16Å; F9-L13 PolarHBondContact O-N 3.4Å |
| 10 | G | 77.9 | Confident | 66.3 | Low | 39 Ų | 39 | 109.7 Ų | 109.7 | 40% | 0.402 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.7 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S6 P7 L13 L14 | S6-G10 PolarHBondContact O-N 2.98Å; S6-G10 VanDerWaalsContact O-N 3.13Å; P7-G10 PolarHBondContact O-N 2.88Å; G10-L13 PolarHBondContact O-N 3.16Å; G10-L14 WeakPolarHBondContact O-CB 3.27Å; G10-L14 PolarHBondContact O-N 3.26Å |
| 11 | L | 78.7 | Confident | 65.9 | Low | 91 Ų | 91 | 108.9 Ų | 108.9 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -42.7 | 175.7 | -74 | 169.6 | 0 | 0 | 0 | 112 | P7 L8 L13 L14 F15 | P7-L11 WeakPolarHBondContact O-CB 3.36Å; P7-L11 VanDerWaalsContact O-CG 3.31Å; P7-L11 WeakPolarHBondContact O-CG 2.96Å; P7-L11 PolarHBondContact O-N 2.92Å; L8-L11 PolarHBondContact O-N 3.19Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.27Å; L11-L14 WeakPolarHBondContact O-CB 3.4Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.3Å |
| 12 | V | 79.2 | Confident | 66.4 | Low | 78 Ų | 78 | 101.2 Ų | 101.2 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60 | -44.4 | 176.1 | 168.9 | 0 | 0 | 0 | 0 | 111 | L8 F9 L14 F15 L16 | L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.29Å; F9-V12 PolarHBondContact O-N 3.35Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 3.33Å; V12-F15 PolarHBondContact O-N 2.9Å; V12-L16 HydrophobicContact CG1-CD1 3.76Å; V12-L16 WeakPolarHBondContact O-CB 3.5Å; V12-L16 WeakPolarHBondContact O-CD1 3.36Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 2.92Å |
| 13 | L | 73.5 | Confident | 66.8 | Low | 84 Ų | 84 | 97.8 Ų | 97.8 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -38.1 | 174.8 | -69.6 | 171.9 | 0 | 0 | 0 | 111.9 | F9 G10 L11 L16 N17 | F9-L13 HydrophobicContact CD1-CD1 3.86Å; F9-L13 HydrophobicContact CD1-CG 4.25Å; F9-L13 HydrophobicContact CE1-CD1 4.07Å; F9-L13 HydrophobicContact CE1-CG 4.36Å; F9-L13 WeakPolarHBondContact O-CG 3.16Å; F9-L13 PolarHBondContact O-N 3.4Å; G10-L13 PolarHBondContact O-N 3.16Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.27Å; L13-L16 PolarHBondContact O-N 3.04Å; L13-N17 PolarHBondContact O-N 3.45Å; L13-N17 VanDerWaalsContact O-N 3.11Å; L13-N17 PolarHBondContact O-ND2 3.44Å |
| 14 | L | 74.2 | Confident | 66.9 | Low | 108 Ų | 108 | 98.2 Ų | 98.2 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.6 | -45.6 | 176.2 | -172.6 | 68.6 | 0 | 0 | 0 | 111.7 | G10 L11 V12 L16 N17 L18 | G10-L14 WeakPolarHBondContact O-CB 3.27Å; G10-L14 PolarHBondContact O-N 3.26Å; L11-L14 WeakPolarHBondContact O-CB 3.4Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L14 VanDerWaalsContact O-N 3.14Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 3.33Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.36Å; L14-N17 PolarHBondContact O-N 3.02Å; L14-L18 PolarHBondContact O-N 2.68Å |
| 15 | F | 70.6 | Confident | 66.8 | Low | 143 Ų | 143 | 99 Ų | 99 | 63% | 0.627 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.1 | -31.6 | 176.5 | -77 | -68.1 | 0 | 0 | 0 | 113 | L11 V12 L18 P19 | L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.3Å; V12-F15 PolarHBondContact O-N 2.9Å; F15-L18 HydrophobicContact CD1-CD2 4.48Å; F15-P19 WeakPolarHBondContact O-CD 3.41Å |
| 16 | L | 69.9 | Low | 66.7 | Low | 108 Ų | 108 | 100 Ų | 100 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.2 | -27.1 | 175 | -74.6 | 161.4 | 0 | 0 | 0 | 113.3 | V12 L13 L14 P19 | V12-L16 HydrophobicContact CG1-CD1 3.76Å; V12-L16 WeakPolarHBondContact O-CB 3.5Å; V12-L16 WeakPolarHBondContact O-CD1 3.36Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 3.04Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.36Å; L16-P19 WeakPolarHBondContact O-CD 2.99Å; L16-P19 WeakPolarHBondContact O-CG 3.39Å |
| 17 | N | 66.3 | Low | 66.2 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -90.7 | -17.4 | 176.5 | -74.2 | -74.3 | 0 | 0 | 0 | 113.3 | L13 L14 L20 | L13-N17 PolarHBondContact O-N 3.45Å; L13-N17 VanDerWaalsContact O-N 3.11Å; L13-N17 PolarHBondContact O-ND2 3.44Å; L14-N17 PolarHBondContact O-N 3.02Å; N17-L20 WeakPolarHBondContact O-CB 3.32Å; N17-L20 PolarHBondContact O-N 2.96Å; N17-L20 VanDerWaalsContact O-N 3.08Å |
| 18 | L | 61.8 | Low | 65.4 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.4 | -37.3 | 174.9 | -147.3 | 68.8 | 0 | 0 | 0 | 114.9 | L14 F15 L20 S21 | L14-L18 PolarHBondContact O-N 2.68Å; F15-L18 HydrophobicContact CD1-CD2 4.48Å; L18-L20 PolarHBondContact O-N 3.26Å; L18-S21 PolarHBondContact O-N 2.82Å; L18-S21 PolarHBondContact O-OG 2.87Å |
| 19 | P | 61.7 | Low | 64.7 | Low | 76 Ų | 76 | 103 Ų | 103 | 49% | 0.494 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.2 | -10.7 | 173.7 | 29.3 | -36.6 | 0 | 0 | 0 | 113.5 | F15 L16 S22 | F15-P19 WeakPolarHBondContact O-CD 3.41Å; L16-P19 WeakPolarHBondContact O-CD 2.99Å; L16-P19 WeakPolarHBondContact O-CG 3.39Å; P19-S22 PolarHBondContact O-OG 3.5Å |
| 20 | L | 58.1 | Low | 64.2 | Low | 144 Ų | 144 | 103.2 Ų | 103.2 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.5 | -23.9 | 174.1 | -106.1 | 69.1 | 0 | 0 | 0 | 112.2 | N17 L18 | N17-L20 WeakPolarHBondContact O-CB 3.32Å; N17-L20 PolarHBondContact O-N 2.96Å; N17-L20 VanDerWaalsContact O-N 3.08Å; L18-L20 PolarHBondContact O-N 3.26Å |
| 21 | S | 58.7 | Low | 63.6 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -92.5 | -9.2 | 174.4 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | L18 A23 | L18-S21 PolarHBondContact O-N 2.82Å; L18-S21 PolarHBondContact O-OG 2.87Å; S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.27Å |
| 22 | S | 54.7 | Low | 63.3 | Low | 75 Ų | 75 | 104 Ų | 104 | 52% | 0.524 | 59% | 0.591 | S | S | . | * | trans | -75.9 | 91.6 | 165.6 | 67.2 | 0 | 0 | 0 | 0 | 108.8 | P19 Y24 | P19-S22 PolarHBondContact O-OG 3.5Å; S22-Y24 PolarHBondContact O-N 2.99Å | ||
| 23 | A | 56.6 | Low | 63.2 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 79% | 0.793 | 60% | 0.603 | S | S | * | * | trans | -62.5 | 90.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107 | S21 P25 | S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.27Å; A23-P25 WeakPolarHBondContact O-CD 3.48Å | ||
| 24 | Y | 57 | Low | 63.5 | Low | 157 Ų | 157 | 107.9 Ų | 107.9 | 62% | 0.616 | 61% | 0.61 | S | S | * | * | trans | -63.1 | 117.3 | 167.2 | -162.9 | -90.1 | 0 | 0 | 0 | 105.6 | S22 V26 N28 | S22-Y24 PolarHBondContact O-N 2.99Å; Y24-V26 PolarHBondContact O-N 3.37Å; Y24-N28 VanDerWaalsContact CE1-OD1 3.31Å; Y24-N28 WeakPolarHBondContact CE1-OD1 3.49Å; Y24-N28 PolarHBondContact OH-OD1 2.87Å | ||
| 25 | P | 58.5 | Low | 63.9 | Low | 81 Ų | 81 | 106.2 Ų | 106.2 | 53% | 0.526 | 60% | 0.601 | S | S | . | * | trans | -58 | 123.4 | 177.4 | 24.4 | -31.4 | 0 | 0 | 0 | 106.1 | A23 Y27 | A23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-Y27 HydrophobicContact CB-CD2 3.97Å; P25-Y27 PolarHBondContact O-N 3.45Å | ||
| 26 | V | 57.5 | Low | 64.6 | Low | 132 Ų | 132 | 102.8 Ų | 102.8 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -67.4 | 18.4 | 174.8 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | Y24 N28 | Y24-V26 PolarHBondContact O-N 3.37Å; V26-N28 PolarHBondContact O-N 2.87Å; V26-N28 VanDerWaalsContact O-N 3.16Å |
| 27 | Y | 56.8 | Low | 65.4 | Low | 128 Ų | 128 | 103.5 Ų | 103.5 | 50% | 0.502 | 59% | 0.588 | S | S | . | * | trans | -88.2 | 53.6 | 173 | -67.1 | -95.4 | 0 | 0 | 0 | 109.6 | P25 G29 L31 M36 | P25-Y27 HydrophobicContact CB-CD2 3.97Å; P25-Y27 PolarHBondContact O-N 3.45Å; Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 3.24Å; Y27-L31 HydrophobicContact CD1-CB 4.16Å; Y27-L31 HydrophobicContact CD1-CD1 3.53Å; Y27-L31 HydrophobicContact CD1-CD2 4.22Å; Y27-L31 HydrophobicContact CD1-CG 4.16Å; Y27-L31 HydrophobicContact CE1-CD1 3.77Å; Y27-L31 HydrophobicContact CE1-CD2 3.76Å; Y27-L31 HydrophobicContact CE1-CG 4.2Å; Y27-L31 HydrophobicContact CG-CD1 4.3Å; Y27-M36 HydrophobicContact CE1-SD 3.93Å | ||
| 28 | N | 56.3 | Low | 66.4 | Low | 111 Ų | 111 | 103 Ų | 103 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -77.3 | 82.1 | 167.6 | -90.7 | -24.7 | 0 | 0 | 0 | 109 | Y24 V26 L30 | Y24-N28 VanDerWaalsContact CE1-OD1 3.31Å; Y24-N28 WeakPolarHBondContact CE1-OD1 3.49Å; Y24-N28 PolarHBondContact OH-OD1 2.87Å; V26-N28 PolarHBondContact O-N 2.87Å; V26-N28 VanDerWaalsContact O-N 3.16Å; N28-L30 PolarHBondContact O-N 3.46Å |
| 29 | G | 59.4 | Low | 67.6 | Low | 84 Ų | 84 | 101 Ų | 101 | 87% | 0.866 | 58% | 0.578 | S | S | * | * | S | Bend | trans | 59.5 | 1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | Y27 | Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 3.24Å |
| 30 | L | 61.8 | Low | 68.9 | Low | 144 Ų | 144 | 101.8 Ų | 101.8 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | trans | -102.6 | -16.7 | -176 | -166.3 | 135.9 | 0 | 0 | 0 | 113.3 | N28 T32 | N28-L30 PolarHBondContact O-N 3.46Å; L30-T32 PolarHBondContact O-N 3.26Å | ||
| 31 | L | 64.4 | Low | 70.6 | Confident | 74 Ų | 74 | 98.5 Ų | 98.5 | 39% | 0.387 | 56% | 0.564 | S | S | . | * | trans | -78.3 | 112.2 | 168.6 | -80 | 105.9 | 0 | 0 | 0 | 108.7 | Y27 D35 M36 | Y27-L31 HydrophobicContact CD1-CB 4.16Å; Y27-L31 HydrophobicContact CD1-CD1 3.53Å; Y27-L31 HydrophobicContact CD1-CD2 4.22Å; Y27-L31 HydrophobicContact CD1-CG 4.16Å; Y27-L31 HydrophobicContact CE1-CD1 3.77Å; Y27-L31 HydrophobicContact CE1-CD2 3.76Å; Y27-L31 HydrophobicContact CE1-CG 4.2Å; Y27-L31 HydrophobicContact CG-CD1 4.3Å; L31-D35 HydrophobicContact CB-CB 4.43Å; L31-D35 HydrophobicContact CD2-CB 3.91Å; L31-D35 HydrophobicContact CG-CB 4.39Å; L31-M36 HydrophobicContact CD2-SD 4.49Å | ||
| 32 | T | 72.8 | Confident | 72.1 | Confident | 73 Ų | 73 | 98.5 Ų | 98.5 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -75.6 | 161.8 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 109.5 | L30 D34 D35 M36 | L30-T32 PolarHBondContact O-N 3.26Å; T32-D34 PolarHBondContact O-N 3.48Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D35 PolarHBondContact N-OD2 3.4Å; T32-D35 PolarHBondContact O-N 2.9Å; T32-D35 PolarHBondContact OG1-OD2 2.98Å; T32-M36 PolarHBondContact O-N 3.4Å | ||
| 33 | N | 76.7 | Confident | 73.7 | Confident | 135 Ų | 135 | 99.3 Ų | 99.3 | 72% | 0.722 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55.5 | -32.8 | 176.6 | -68.4 | -61.1 | 0 | 0 | 0 | 111.5 | D35 M36 E37 | N33-D35 PolarHBondContact O-N 2.87Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 3.37Å; N33-E37 WeakPolarHBondContact O-CG 3.33Å; N33-E37 PolarHBondContact O-N 3.29Å |
| 34 | D | 80.4 | Confident | 75.2 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 177 | -55.6 | -20.6 | 0 | 0 | 0 | 112 | T32 M36 E37 V38 | T32-D34 PolarHBondContact O-N 3.48Å; T32-D34 VanDerWaalsContact O-N 3.15Å; D34-M36 VanDerWaalsContact C-N 3.29Å; D34-M36 PolarHBondContact O-N 3.49Å; D34-E37 WeakPolarHBondContact O-CB 3.5Å; D34-E37 PolarHBondContact O-N 3Å; D34-V38 WeakPolarHBondContact O-CG2 3.35Å; D34-V38 PolarHBondContact O-N 3.39Å |
| 35 | D | 83.1 | Confident | 76.6 | Confident | 72 Ų | 72 | 101.4 Ų | 101.4 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 177.8 | -59.5 | -54.2 | 0 | 0 | 0 | 111.7 | L31 T32 N33 V38 L39 | L31-D35 HydrophobicContact CB-CB 4.43Å; L31-D35 HydrophobicContact CD2-CB 3.91Å; L31-D35 HydrophobicContact CG-CB 4.39Å; T32-D35 PolarHBondContact N-OD2 3.4Å; T32-D35 PolarHBondContact O-N 2.9Å; T32-D35 PolarHBondContact OG1-OD2 2.98Å; N33-D35 PolarHBondContact O-N 2.87Å; D35-V38 PolarHBondContact O-N 3.5Å; D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 PolarHBondContact O-N 3.5Å |
| 36 | M | 84.6 | Confident | 77.8 | Confident | 71 Ų | 71 | 101.9 Ų | 101.9 | 35% | 0.35 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 174.5 | -69.9 | -62.7 | -60.5 | 0 | 0 | 111.9 | Y27 L31 T32 N33 D34 L39 N40 | Y27-M36 HydrophobicContact CE1-SD 3.93Å; L31-M36 HydrophobicContact CD2-SD 4.49Å; T32-M36 PolarHBondContact O-N 3.4Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 3.37Å; D34-M36 VanDerWaalsContact C-N 3.29Å; D34-M36 PolarHBondContact O-N 3.49Å; M36-L39 PolarHBondContact O-N 3.29Å; M36-L39 HydrophobicContact SD-CD2 4.43Å; M36-N40 WeakPolarHBondContact O-CB 3.42Å; M36-N40 VanDerWaalsContact O-CG 3.26Å; M36-N40 PolarHBondContact O-N 3.48Å; M36-N40 PolarHBondContact O-ND2 2.82Å; M36-N40 VanDerWaalsContact O-ND2 3.14Å |
| 37 | E | 85.7 | Confident | 79.1 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 173.1 | -70.6 | -176.6 | -175.8 | 0 | 0 | 111.5 | N33 D34 L39 N40 V41 | N33-E37 WeakPolarHBondContact O-CG 3.33Å; N33-E37 PolarHBondContact O-N 3.29Å; D34-E37 WeakPolarHBondContact O-CB 3.5Å; D34-E37 PolarHBondContact O-N 3Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.11Å; E37-N40 PolarHBondContact O-N 3.21Å; E37-V41 WeakPolarHBondContact O-CG2 3.43Å; E37-V41 PolarHBondContact O-N 3.28Å |
| 38 | V | 87.7 | Confident | 80.2 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | D34 D35 N40 V41 L42 | D34-V38 WeakPolarHBondContact O-CG2 3.35Å; D34-V38 PolarHBondContact O-N 3.39Å; D35-V38 PolarHBondContact O-N 3.5Å; V38-N40 PolarHBondContact O-N 3Å; V38-V41 PolarHBondContact O-N 3.18Å; V38-L42 HydrophobicContact CG1-CD1 4.22Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 2.94Å |
| 39 | L | 88.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 103 Ų | 103 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.8 | 179.7 | 61.7 | 0 | 0 | 0 | 111.8 | D35 M36 E37 V41 L42 L43 | D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 PolarHBondContact O-N 3.5Å; M36-L39 PolarHBondContact O-N 3.29Å; M36-L39 HydrophobicContact SD-CD2 4.43Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.11Å; L39-V41 VanDerWaalsContact C-N 3.33Å; L39-V41 PolarHBondContact O-N 3.45Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.23Å; L39-L43 HydrophobicContact CD1-CG 4.39Å; L39-L43 HydrophobicContact CG-CD1 4.29Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 2.92Å |
| 40 | N | 87.7 | Confident | 81.7 | Confident | 93 Ų | 93 | 105.9 Ų | 105.9 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 177.7 | -77.5 | -33.4 | 0 | 0 | 0 | 112.2 | M36 E37 V38 L42 L43 H44 | M36-N40 WeakPolarHBondContact O-CB 3.42Å; M36-N40 VanDerWaalsContact O-CG 3.26Å; M36-N40 PolarHBondContact O-N 3.48Å; M36-N40 PolarHBondContact O-ND2 2.82Å; M36-N40 VanDerWaalsContact O-ND2 3.14Å; E37-N40 PolarHBondContact O-N 3.21Å; V38-N40 PolarHBondContact O-N 3Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.44Å; N40-L43 PolarHBondContact O-N 3.39Å; N40-H44 WeakPolarHBondContact O-CB 3.41Å; N40-H44 PolarHBondContact O-N 3.04Å |
| 41 | V | 93.1 | Very high | 81.5 | Confident | 76 Ų | 76 | 104.3 Ų | 104.3 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 111 | E37 V38 L39 H44 R45 | E37-V41 WeakPolarHBondContact O-CG2 3.43Å; E37-V41 PolarHBondContact O-N 3.28Å; V38-V41 PolarHBondContact O-N 3.18Å; L39-V41 VanDerWaalsContact C-N 3.33Å; L39-V41 PolarHBondContact O-N 3.45Å; V41-H44 PolarHBondContact O-N 3.4Å; V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 WeakPolarHBondContact O-CG 3.42Å; V41-R45 PolarHBondContact O-N 3.29Å |
| 42 | L | 90.1 | Very high | 81.2 | Confident | 93 Ų | 93 | 108.7 Ų | 108.7 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.6 | -45.5 | 176.6 | -69.9 | 170.8 | 0 | 0 | 0 | 111.5 | V38 L39 N40 H44 R45 L46 | V38-L42 HydrophobicContact CG1-CD1 4.22Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 2.94Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.23Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.44Å; L42-H44 PolarHBondContact O-N 3.49Å; L42-R45 PolarHBondContact O-N 3.29Å; L42-L46 WeakPolarHBondContact O-CB 3.41Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.48Å |
| 43 | L | 89 | Confident | 80.3 | Confident | 91 Ų | 91 | 113 Ų | 113 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.3 | -43.4 | 176.3 | -73.1 | 177.6 | 0 | 0 | 0 | 112 | L39 N40 R45 L46 Q47 | L39-L43 HydrophobicContact CD1-CG 4.39Å; L39-L43 HydrophobicContact CG-CD1 4.29Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 2.92Å; N40-L43 PolarHBondContact O-N 3.39Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 2.97Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 3.21Å; L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 PolarHBondContact O-N 2.98Å |
| 44 | H | 88.6 | Confident | 79.3 | Confident | 123 Ų | 123 | 109.6 Ų | 109.6 | 57% | 0.569 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.8 | -39.2 | 176.6 | -178 | -89.4 | 0 | 0 | 0 | 112.1 | N40 V41 L42 K48 | N40-H44 WeakPolarHBondContact O-CB 3.41Å; N40-H44 PolarHBondContact O-N 3.04Å; V41-H44 PolarHBondContact O-N 3.4Å; L42-H44 PolarHBondContact O-N 3.49Å; H44-K48 WeakPolarHBondContact O-CB 3.16Å; H44-K48 PolarHBondContact O-N 3.41Å |
| 45 | R | 86.8 | Confident | 78 | Confident | 175 Ų | 175 | 113.1 Ų | 113.1 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.8 | -40.3 | 173.8 | -75.8 | -179.6 | 179.8 | -159.9 | 1.5 | 112 | V41 L42 L43 K48 S49 | V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 WeakPolarHBondContact O-CG 3.42Å; V41-R45 PolarHBondContact O-N 3.29Å; L42-R45 PolarHBondContact O-N 3.29Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 2.97Å; R45-K48 PolarHBondContact O-N 3.28Å; R45-S49 WeakPolarHBondContact O-CB 3.1Å; R45-S49 PolarHBondContact O-N 2.98Å; R45-S49 PolarHBondContact O-OG 3.01Å |
| 46 | L | 83.8 | Confident | 76.5 | Confident | 91 Ų | 91 | 115.7 Ų | 115.7 | 48% | 0.476 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.3 | -50.7 | 174.8 | -75.4 | 171.7 | 0 | 0 | 0 | 110.5 | L42 L43 K48 S49 F50 | L42-L46 WeakPolarHBondContact O-CB 3.41Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.48Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 3.21Å; L46-K48 PolarHBondContact O-N 3.42Å; L46-S49 WeakPolarHBondContact CA-OG 3.36Å; L46-S49 CarbonylContact O-C 3.57Å; L46-S49 WeakPolarHBondContact O-CA 3.33Å; L46-S49 WeakPolarHBondContact O-CB 3.35Å; L46-S49 PolarHBondContact O-N 3.14Å; L46-S49 PolarHBondContact O-OG 3.35Å; L46-F50 HydrophobicContact CB-CE2 4.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.35Å; L46-F50 PolarHBondContact O-N 3.18Å |
| 47 | Q | 83.8 | Confident | 74.8 | Confident | 146 Ų | 146 | 121.3 Ų | 121.3 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -54.7 | -41.5 | 175.6 | -177.1 | 176.2 | -5.4 | 0 | 0 | 111.9 | L43 S49 F50 | L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 PolarHBondContact O-N 2.98Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; Q47-F50 PolarHBondContact O-N 3.02Å; Q47-F50 VanDerWaalsContact O-O 3.06Å |
| 48 | K | 79.3 | Confident | 73 | Confident | 172 Ų | 172 | 127 Ų | 127 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.4 | -29.7 | 175.3 | -173 | 172.6 | -178.6 | 170 | 0 | 113.4 | H44 R45 L46 F50 | H44-K48 WeakPolarHBondContact O-CB 3.16Å; H44-K48 PolarHBondContact O-N 3.41Å; R45-K48 PolarHBondContact O-N 3.28Å; L46-K48 PolarHBondContact O-N 3.42Å; K48-F50 VanDerWaalsContact C-N 3.35Å |
| 49 | S | 76.4 | Confident | 71.1 | Confident | 76 Ų | 76 | 129 Ų | 129 | 53% | 0.531 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -78.9 | -18 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | R45 L46 Q47 P51 | R45-S49 WeakPolarHBondContact O-CB 3.1Å; R45-S49 PolarHBondContact O-N 2.98Å; R45-S49 PolarHBondContact O-OG 3.01Å; L46-S49 WeakPolarHBondContact CA-OG 3.36Å; L46-S49 CarbonylContact O-C 3.57Å; L46-S49 WeakPolarHBondContact O-CA 3.33Å; L46-S49 WeakPolarHBondContact O-CB 3.35Å; L46-S49 PolarHBondContact O-N 3.14Å; L46-S49 PolarHBondContact O-OG 3.35Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; S49-P51 WeakPolarHBondContact O-CD 3.11Å |
| 50 | F | 70.9 | Confident | 69 | Low | 144 Ų | 144 | 131.2 Ų | 131.2 | 63% | 0.632 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -85.5 | 104.9 | 165.6 | -66.2 | -72.1 | 0 | 0 | 0 | 107.6 | L46 Q47 K48 E52 | L46-F50 HydrophobicContact CB-CE2 4.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.35Å; L46-F50 PolarHBondContact O-N 3.18Å; Q47-F50 PolarHBondContact O-N 3.02Å; Q47-F50 VanDerWaalsContact O-O 3.06Å; K48-F50 VanDerWaalsContact C-N 3.35Å; F50-E52 PolarHBondContact O-N 3.01Å |
| 51 | P | 59.3 | Low | 66.6 | Low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | trans | -59.1 | 120 | 166.6 | 27 | -31.6 | 0 | 0 | 0 | 106.4 | S49 L53 | S49-P51 WeakPolarHBondContact O-CD 3.11Å; P51-L53 PolarHBondContact O-N 3.36Å | ||
| 52 | E | 57.2 | Low | 64.1 | Low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -9.6 | 93.8 | 166.3 | -146.6 | 177 | 161.7 | 0 | 0 | 112.6 | F50 S54 | F50-E52 PolarHBondContact O-N 3.01Å; E52-S54 WeakPolarHBondContact CG-OG 3.49Å; E52-S54 PolarHBondContact O-N 3.4Å | ||
| 53 | L | 53.8 | Low | 61.7 | Low | 165 Ų | 165 | 142.1 Ų | 142.1 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -73.8 | 44.1 | 162 | -100.1 | 170 | 0 | 0 | 0 | 108.8 | P51 E55 | P51-L53 PolarHBondContact O-N 3.36Å; L53-E55 PolarHBondContact O-N 3.08Å | ||
| 54 | S | 55.2 | Low | 59.2 | Low | 62 Ų | 62 | 143.1 Ų | 143.1 | 43% | 0.434 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 106.2 | 160.9 | 53.8 | 0 | 0 | 0 | 0 | 106.4 | E52 | E52-S54 WeakPolarHBondContact CG-OG 3.49Å; E52-S54 PolarHBondContact O-N 3.4Å |
| 55 | E | 52.9 | Low | 56.6 | Low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.9 | -0.3 | 141.9 | -79.6 | 179.6 | 175.4 | 0 | 0 | 115 | L53 | L53-E55 PolarHBondContact O-N 3.08Š|
| 56 | V | 52.7 | Low | 54.3 | Low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -125.2 | 54.3 | -178.2 | -162.2 | 0 | 0 | 0 | 0 | 113 | ||
| 57 | E | 47.6 | Very low | 52 | Low | 188 Ų | 188 | 143.1 Ų | 143.1 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -167.3 | 56.1 | 149 | -155.3 | 141.5 | -175.5 | 0 | 0 | 111.3 | ||
| 58 | R | 48.8 | Very low | 49.8 | Very low | 242 Ų | 242 | 142.3 Ų | 142.3 | 91% | 0.913 | 75% | 0.751 | S | S | * | * | trans | -126.1 | 35.8 | 166.9 | -66.7 | -160.8 | -142.9 | 154.6 | 7.1 | 112.6 | ||||
| 59 | V | 47.8 | Very low | 48.1 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -137.3 | 123.3 | 170.9 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 60 | S | 43.4 | Very low | 46.3 | Very low | 104 Ų | 104 | 144.8 Ų | 144.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 71.2 | 115 | 167.7 | 70.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 61 | T | 38.8 | Very low | 44.5 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | -163.6 | 103.7 | 31.4 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 62 | E | 40.8 | Very low | 43.2 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -74.5 | 135.5 | 148.7 | -75.8 | -174.1 | 155.3 | 0 | 0 | 107.3 | ||||
| 63 | K | 39.5 | Very low | 42.2 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | 82.9 | 101.1 | 156.6 | -160.1 | 157 | -172.4 | 168 | 0 | 119.1 | ||||
| 64 | S | 36.6 | Very low | 41.3 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | -171 | 97.6 | 128 | -170.9 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 65 | D | 33.6 | Very low | 40.6 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | 46.2 | 108.2 | 95.3 | -72.6 | -25.8 | 0 | 0 | 0 | 112.3 | |||||
| 66 | D | 37.3 | Very low | 39.9 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | 19.8 | 132.8 | 139.3 | -166.4 | 40.1 | 0 | 0 | 0 | 118.1 | ||||
| 67 | V | 35.3 | Very low | 39.4 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | trans | 143.7 | 94.1 | 147.1 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 68 | T | 39.2 | Very low | 38.8 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -64.9 | 137.6 | 141.2 | 29.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 69 | P | 42 | Very low | 38.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | -149.8 | 151.8 | 85.8 | 34.9 | -14.8 | 0 | 0 | 0 | 115.9 | |||||
| 70 | E | 39.4 | Very low | 38.3 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -48.6 | 129.2 | 161.9 | -51.9 | 171.3 | 170.8 | 0 | 0 | 111.9 | ||||
| 71 | A | 33.3 | Very low | 38.3 | Very low | 83 Ų | 83 | 147.1 Ų | 147.1 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | -179.4 | 112.9 | 142.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 72 | M | 32.2 | Very low | 38.2 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | 78.4 | 132.6 | 125.3 | -63 | -179.8 | 154.5 | 0 | 0 | 121 | |||||
| 73 | A | 36 | Very low | 38.5 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 90 | 90.3 | 142.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 74 | M | 34.3 | Very low | 38.6 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | 47.9 | 114.2 | 115.3 | -78.2 | 172.7 | 35.9 | 0 | 0 | 119.1 | |||||
| 75 | V | 40.2 | Very low | 39.5 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | 61.2 | 101.6 | 133.3 | -163.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 76 | A | 39.3 | Very low | 40.2 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | -156.2 | 125.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 77 | E | 42.8 | Very low | 41.1 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -53.5 | 140.1 | 173.6 | -57.6 | -95 | 145.2 | 0 | 0 | 111.5 | ||||
| 78 | D | 34.8 | Very low | 42.1 | Very low | 144 Ų | 144 | 148 Ų | 148 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -146.3 | 128.5 | 144 | -166.8 | 26.6 | 0 | 0 | 0 | 109.6 | ||||
| 79 | E | 45.1 | Very low | 43.2 | Very low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -72.4 | 126.7 | -171.6 | -64.8 | -177.4 | 106.9 | 0 | 0 | 111.3 | ||||
| 80 | R | 41.1 | Very low | 44.1 | Very low | 232 Ų | 232 | 145.2 Ų | 145.2 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -135.6 | 102 | 154.7 | -69.3 | -69.5 | 175.5 | 162.7 | -3.7 | 108.9 | Q82 | R80-Q82 PolarHBondContact O-N 3.15Š| ||
| 81 | E | 42.4 | Very low | 45 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -57.2 | 125.8 | 169 | -64.6 | 179.7 | 115.1 | 0 | 0 | 111.2 | ||||
| 82 | Q | 37.5 | Very low | 46.2 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -152 | 131.1 | 145.6 | -153.5 | 165.4 | 23.2 | 0 | 0 | 110.7 | R80 Q84 | R80-Q82 PolarHBondContact O-N 3.15Å; Q82-Q84 PolarHBondContact O-N 2.8Å | ||
| 83 | P | 47 | Very low | 47.6 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -83.1 | 114.7 | -165.9 | 30.9 | -32.1 | 0 | 0 | 0 | 111.2 | ||||
| 84 | Q | 42 | Very low | 48.7 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 72% | 0.715 | S | S | * | * | trans | -122.5 | 115.2 | 162.1 | -67.5 | -169.6 | 6.5 | 0 | 0 | 109 | Q82 R86 | Q82-Q84 PolarHBondContact O-N 2.8Å; Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.96Å | ||
| 85 | T | 54.3 | Low | 49.8 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 90% | 0.896 | 71% | 0.706 | S | S | * | * | trans | -50.1 | 92.2 | 175.6 | -45.9 | 0 | 0 | 0 | 0 | 110 | P87 | T85-P87 VanDerWaalsContact O-CD 3.24Å; T85-P87 WeakPolarHBondContact O-CD 3.31Å | ||
| 86 | R | 47.9 | Very low | 50.7 | Low | 185 Ų | 185 | 139.3 Ų | 139.3 | 70% | 0.698 | 70% | 0.7 | S | S | * | * | trans | -78.9 | 110.8 | 173.7 | -171.3 | 178.3 | -168.4 | 133.3 | 12.3 | 107.1 | Q84 D88 | Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.96Å; R86-D88 PolarHBondContact O-N 3.05Å | ||
| 87 | P | 57.3 | Low | 51.9 | Low | 90 Ų | 90 | 137.5 Ų | 137.5 | 58% | 0.584 | 68% | 0.681 | S | S | * | * | trans | -63.9 | 127.2 | 171.7 | 26.6 | -31.1 | 0 | 0 | 0 | 107.6 | T85 K89 | T85-P87 VanDerWaalsContact O-CD 3.24Å; T85-P87 WeakPolarHBondContact O-CD 3.31Å; P87-K89 PolarHBondContact O-N 3.02Å | ||
| 88 | D | 56.8 | Low | 52.7 | Low | 110 Ų | 110 | 132.7 Ų | 132.7 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -61.8 | 130.1 | -173 | -164.6 | 7.1 | 0 | 0 | 0 | 109.9 | R86 A90 T91 | R86-D88 PolarHBondContact O-N 3.05Å; D88-A90 PolarHBondContact O-N 3.45Å; D88-T91 PolarHBondContact O-N 3.16Å; D88-T91 PolarHBondContact O-OG1 2.87Å | ||
| 89 | K | 61.8 | Low | 53.9 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.6 | -16.3 | -169.6 | -52.9 | 179.7 | -172.4 | -178.7 | 0 | 112.4 | P87 T92 | P87-K89 PolarHBondContact O-N 3.02Å; K89-T92 PolarHBondContact O-OG1 3.34Å |
| 90 | A | 59.5 | Low | 54.7 | Low | 54 Ų | 54 | 132.5 Ų | 132.5 | 45% | 0.446 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69.3 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D88 T92 R93 | D88-A90 PolarHBondContact O-N 3.45Å; A90-T92 VanDerWaalsContact C-N 3.33Å; A90-T92 PolarHBondContact O-N 2.97Å; A90-R93 PolarHBondContact O-N 2.78Å; A90-R93 VanDerWaalsContact O-N 3.16Å |
| 91 | T | 58.4 | Low | 55.6 | Low | 64 Ų | 64 | 126.3 Ų | 126.3 | 39% | 0.393 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65 | -36.2 | -176.4 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | D88 R93 D94 F95 | D88-T91 PolarHBondContact O-N 3.16Å; D88-T91 PolarHBondContact O-OG1 2.87Å; T91-R93 VanDerWaalsContact C-N 3.31Å; T91-R93 PolarHBondContact O-N 3.02Å; T91-D94 PolarHBondContact O-N 3.08Å; T91-F95 WeakPolarHBondContact O-CD2 3.31Å; T91-F95 WeakPolarHBondContact O-CE2 3.26Å |
| 92 | T | 59.5 | Low | 56.4 | Low | 69 Ų | 69 | 124.1 Ų | 124.1 | 42% | 0.423 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.6 | -23.9 | 178.1 | 32.4 | 0 | 0 | 0 | 0 | 113.6 | K89 A90 L96 | K89-T92 PolarHBondContact O-OG1 3.34Å; A90-T92 VanDerWaalsContact C-N 3.33Å; A90-T92 PolarHBondContact O-N 2.97Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å |
| 93 | R | 60.5 | Low | 57.5 | Low | 200 Ų | 200 | 119.4 Ų | 119.4 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75 | -32.5 | 173.8 | -80.2 | -178.4 | 179.9 | 162.2 | 0.5 | 112.3 | A90 T91 L96 S97 | A90-R93 PolarHBondContact O-N 2.78Å; A90-R93 VanDerWaalsContact O-N 3.16Å; T91-R93 VanDerWaalsContact C-N 3.31Å; T91-R93 PolarHBondContact O-N 3.02Å; R93-L96 PolarHBondContact O-N 3.02Å; R93-S97 PolarHBondContact O-N 3.11Å |
| 94 | D | 60.5 | Low | 58.1 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.9 | -39.3 | -178.3 | -63.7 | -28.8 | 0 | 0 | 0 | 111.4 | T91 L96 S97 | T91-D94 PolarHBondContact O-N 3.08Å; D94-L96 VanDerWaalsContact C-N 3.26Å; D94-L96 PolarHBondContact O-N 3.25Å; D94-S97 VanDerWaalsContact O-CB 3.27Å; D94-S97 WeakPolarHBondContact O-CB 3.47Å; D94-S97 PolarHBondContact O-N 2.76Å |
| 95 | F | 57.7 | Low | 59 | Low | 149 Ų | 149 | 118.9 Ų | 118.9 | 65% | 0.654 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -15.9 | 175.7 | -64.5 | -67.7 | 0 | 0 | 0 | 114.8 | T91 | T91-F95 WeakPolarHBondContact O-CD2 3.31Å; T91-F95 WeakPolarHBondContact O-CE2 3.26Å |
| 96 | L | 59 | Low | 59.1 | Low | 126 Ų | 126 | 116.4 Ų | 116.4 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 9.6 | 177.5 | -62 | 178.6 | 0 | 0 | 0 | 112.3 | T92 R93 D94 A98 | T92-L96 WeakPolarHBondContact O-CG 3.49Å; R93-L96 PolarHBondContact O-N 3.02Å; D94-L96 VanDerWaalsContact C-N 3.26Å; D94-L96 PolarHBondContact O-N 3.25Å; L96-A98 PolarHBondContact O-N 3.36Å |
| 97 | S | 63.4 | Low | 59.6 | Low | 61 Ų | 61 | 112.6 Ų | 112.6 | 43% | 0.427 | 58% | 0.575 | S | S | . | * | trans | -61.4 | 134.2 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | R93 D94 R99 D100 | R93-S97 PolarHBondContact O-N 3.11Å; D94-S97 VanDerWaalsContact O-CB 3.27Å; D94-S97 WeakPolarHBondContact O-CB 3.47Å; D94-S97 PolarHBondContact O-N 2.76Å; S97-R99 PolarHBondContact O-N 3.44Å; S97-D100 PolarHBondContact O-N 3.38Å | ||
| 98 | A | 59.9 | Low | 59.5 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 66% | 0.661 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -14.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L96 | L96-A98 PolarHBondContact O-N 3.36Š|
| 99 | R | 60.7 | Low | 59.4 | Low | 211 Ų | 211 | 115.5 Ų | 115.5 | 80% | 0.796 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -42 | 174.1 | -121.8 | 178.7 | -176.7 | 169.7 | 0.7 | 112.4 | S97 K102 | S97-R99 PolarHBondContact O-N 3.44Å; R99-K102 PolarHBondContact O-N 2.99Å |
| 100 | D | 60.5 | Low | 59.1 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -78.2 | -28 | -178.3 | -80.1 | -8.6 | 0 | 0 | 0 | 112.4 | S97 K102 T103 | S97-D100 PolarHBondContact O-N 3.38Å; D100-K102 PolarHBondContact O-N 2.92Å; D100-T103 PolarHBondContact O-N 3.47Å; D100-T103 PolarHBondContact O-OG1 3.14Å |
| 101 | L | 60 | Low | 59 | Low | 103 Ų | 103 | 119.4 Ų | 119.4 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.8 | -19.7 | 173.3 | -62.6 | 176.9 | 0 | 0 | 0 | 112.9 | R105 | L101-R105 PolarHBondContact O-N 2.96Å |
| 102 | K | 60.5 | Low | 58.9 | Low | 146 Ų | 146 | 126.4 Ų | 126.4 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80.9 | -31.1 | -178.4 | -156.7 | 174.9 | -176.9 | -178.5 | 0 | 112.5 | R99 D100 R105 N106 | R99-K102 PolarHBondContact O-N 2.99Å; D100-K102 PolarHBondContact O-N 2.92Å; K102-R105 PolarHBondContact O-N 3.45Å; K102-N106 PolarHBondContact O-N 3.02Å |
| 103 | T | 60.8 | Low | 58.7 | Low | 79 Ų | 79 | 134 Ų | 134 | 49% | 0.485 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.2 | -44.3 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | D100 R105 N106 D107 | D100-T103 PolarHBondContact O-N 3.47Å; D100-T103 PolarHBondContact O-OG1 3.14Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.42Å; T103-N106 PolarHBondContact O-N 2.95Å; T103-N106 VanDerWaalsContact O-N 3.11Å; T103-D107 PolarHBondContact O-N 2.93Å |
| 104 | V | 59.7 | Low | 58.6 | Low | 92 Ų | 92 | 129.2 Ų | 129.2 | 56% | 0.558 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56.7 | -40.8 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | S108 | V104-S108 PolarHBondContact O-N 3.38Å; V104-S108 PolarHBondContact O-OG 3.47Å |
| 105 | R | 59.1 | Low | 58.6 | Low | 200 Ų | 200 | 126.1 Ų | 126.1 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.6 | -28.8 | -180 | -162.3 | 169.6 | -178.9 | 106 | -3.9 | 113.2 | L101 K102 T103 | L101-R105 PolarHBondContact O-N 2.96Å; K102-R105 PolarHBondContact O-N 3.45Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.42Å |
| 106 | N | 57.9 | Low | 58.7 | Low | 93 Ų | 93 | 121.2 Ų | 121.2 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80.7 | -37.8 | 177 | -87.4 | -22.9 | 0 | 0 | 0 | 112.8 | K102 T103 S108 R109 S110 | K102-N106 PolarHBondContact O-N 3.02Å; T103-N106 PolarHBondContact O-N 2.95Å; T103-N106 VanDerWaalsContact O-N 3.11Å; N106-S108 PolarHBondContact O-N 3.39Å; N106-R109 PolarHBondContact O-N 3.36Å; N106-S110 PolarHBondContact O-N 3.08Å |
| 107 | D | 57.6 | Low | 58.6 | Low | 106 Ų | 106 | 124.8 Ų | 124.8 | 57% | 0.567 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.2 | -29.2 | 172.2 | -80.1 | -17.5 | 0 | 0 | 0 | 112.3 | T103 R109 S110 | T103-D107 PolarHBondContact O-N 2.93Å; D107-R109 VanDerWaalsContact C-N 3.25Å; D107-R109 PolarHBondContact O-N 3.13Å; D107-S110 PolarHBondContact O-OG 3.23Å |
| 108 | S | 55.5 | Low | 58.4 | Low | 64 Ų | 64 | 125.4 Ų | 125.4 | 45% | 0.448 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.3 | -15.8 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 114 | V104 N106 R112 | V104-S108 PolarHBondContact O-N 3.38Å; V104-S108 PolarHBondContact O-OG 3.47Å; N106-S108 PolarHBondContact O-N 3.39Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å |
| 109 | R | 55.5 | Low | 58.3 | Low | 197 Ų | 197 | 133.2 Ų | 133.2 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -92.9 | -33.5 | 175.5 | -98.2 | -176.4 | 176.8 | 158.3 | -2.5 | 112.4 | N106 D107 K111 | N106-R109 PolarHBondContact O-N 3.36Å; D107-R109 VanDerWaalsContact C-N 3.25Å; D107-R109 PolarHBondContact O-N 3.13Å; R109-K111 VanDerWaalsContact C-N 3.34Å |
| 110 | S | 55.3 | Low | 58.1 | Low | 87 Ų | 87 | 134.1 Ų | 134.1 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.9 | -24.5 | -179.7 | 71.8 | 0 | 0 | 0 | 0 | 113.3 | N106 D107 R112 | N106-S110 PolarHBondContact O-N 3.08Å; D107-S110 PolarHBondContact O-OG 3.23Å; S110-R112 PolarHBondContact O-N 3.2Å |
| 111 | K | 55.9 | Low | 58 | Low | 176 Ų | 176 | 138.5 Ų | 138.5 | 77% | 0.765 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 3.8 | 177.4 | -72.6 | -177.4 | 178.3 | 176.5 | 0 | 115.7 | R109 Y113 | R109-K111 VanDerWaalsContact C-N 3.34Å; K111-Y113 VanDerWaalsContact C-N 3.33Å; K111-Y113 PolarHBondContact O-N 3.48Å |
| 112 | R | 56.6 | Low | 57.9 | Low | 210 Ų | 210 | 137.3 Ų | 137.3 | 79% | 0.792 | 67% | 0.668 | S | S | * | * | trans | -90.2 | 20.6 | -177.9 | -65 | -160.4 | -167.5 | -167.9 | 0.9 | 115.1 | S108 S110 | S108-R112 WeakPolarHBondContact O-CG 3.38Å; S110-R112 PolarHBondContact O-N 3.2Å | ||
| 113 | Y | 56.7 | Low | 58.5 | Low | 228 Ų | 228 | 141.1 Ų | 141.1 | 89% | 0.894 | 68% | 0.679 | S | S | * | * | trans | -123.5 | 53 | 179.6 | -158 | -96.9 | 0 | 0 | 0 | 112.1 | K111 | K111-Y113 VanDerWaalsContact C-N 3.33Å; K111-Y113 PolarHBondContact O-N 3.48Å | ||
| 114 | S | 58.3 | Low | 58.6 | Low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -130.4 | 104.2 | 155.4 | 59.8 | 0 | 0 | 0 | 0 | 106.7 | ||
| 115 | G | 59.9 | Low | 58.7 | Low | 52 Ų | 52 | 145.5 Ų | 145.5 | 54% | 0.536 | 71% | 0.712 | S | S | . | * | trans | -73.1 | 157.1 | -160 | 0 | 0 | 0 | 0 | 0 | 115.9 | C132 | G115-C132 WeakPolarHBondContact O-CB 3.09Š| ||
| 116 | C | 60.1 | Low | 58.5 | Low | 47 Ų | 47 | 139.8 Ų | 139.8 | 32% | 0.318 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -177.6 | -23.9 | 139.5 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | G131 C132 | C116-G131 PolarHBondContact SG-O 3.42Å; C116-C132 VanDerWaalsContact CA-SG 3.51Å; C116-C132 HydrophobicContact CB-CB 3.57Å; C116-C132 PolarHBondContact SG-N 3.32Å; C116-C132 VanDerWaalsContact SG-N 3.4Å |
| 117 | F | 56.6 | Low | 58.6 | Low | 200 Ų | 200 | 143.8 Ų | 143.8 | 88% | 0.877 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -141.8 | 116.6 | -175.2 | -83 | -88.3 | 0 | 0 | 0 | 109.1 | ||
| 118 | G | 60.1 | Low | 58.4 | Low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | trans | 148.1 | 49.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 119 | R | 56.8 | Low | 58.6 | Low | 245 Ų | 245 | 144.4 Ų | 144.4 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -120.6 | -46.5 | 151.7 | -74.8 | -162.9 | 163.9 | -147.1 | -4.6 | 115 | ||
| 120 | R | 56.7 | Low | 58.7 | Low | 229 Ų | 229 | 143 Ų | 143 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | trans | -151.6 | 133.4 | 170 | -59.5 | -174.6 | -171 | -111.6 | -1.3 | 107.7 | D122 | R120-D122 PolarHBondContact O-N 2.75Š| ||
| 121 | M | 57.5 | Low | 58.5 | Low | 181 Ų | 181 | 141.2 Ų | 141.2 | 89% | 0.892 | 74% | 0.735 | S | S | * | * | trans | -70.3 | 110.5 | 165.4 | -174.4 | -172.1 | -65.6 | 0 | 0 | 105.4 | R123 | M121-R123 PolarHBondContact O-N 3.42Å; M121-R123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | D | 59.4 | Low | 58.5 | Low | 78 Ų | 78 | 136.4 Ų | 136.4 | 42% | 0.417 | 72% | 0.723 | S | S | . | * | trans | -61.7 | 116.7 | 170.5 | -80.3 | -47.1 | 0 | 0 | 0 | 107.4 | R120 S128 | R120-D122 PolarHBondContact O-N 2.75Å; D122-S128 WeakPolarHBondContact OD2-CB 3.27Å; D122-S128 PolarHBondContact OD2-OG 3.13Å | ||
| 123 | R | 72.8 | Confident | 58.4 | Low | 226 Ų | 226 | 132.4 Ų | 132.4 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | -59.6 | 144.7 | 175.8 | -73.8 | 179 | 172.6 | 176.3 | -3.5 | 108.1 | M121 G125 S126 | M121-R123 PolarHBondContact O-N 3.42Å; M121-R123 VanDerWaalsContact O-N 3.13Å; R123-G125 PolarHBondContact O-N 3.07Å; R123-S126 PolarHBondContact O-N 3.4Å | ||
| 124 | I | 62.6 | Low | 58.3 | Low | 186 Ų | 186 | 127.5 Ų | 127.5 | 95% | 0.954 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.4 | 112.9 | -175.7 | -61.3 | 166.7 | 0 | 0 | 0 | 110 | ||
| 125 | G | 62.5 | Low | 58.1 | Low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.1 | -23.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R123 | R123-G125 PolarHBondContact O-N 3.07Š|
| 126 | S | 55.1 | Low | 57.5 | Low | 79 Ų | 79 | 129 Ų | 129 | 55% | 0.552 | 72% | 0.722 | S | S | * | * | trans | -96.1 | 109.2 | 173.5 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | R123 S128 | R123-S126 PolarHBondContact O-N 3.4Å; S126-S128 PolarHBondContact O-N 3.25Å | ||
| 127 | M | 59.2 | Low | 57.3 | Low | 177 Ų | 177 | 135.6 Ų | 135.6 | 87% | 0.872 | 75% | 0.746 | S | S | * | * | trans | -72.8 | 91.9 | 174.7 | -67.5 | -165.3 | 73.3 | 0 | 0 | 111.1 | ||||
| 128 | S | 54.4 | Low | 57 | Low | 89 Ų | 89 | 136.9 Ų | 136.9 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | -96.7 | 94.6 | 161.5 | -67.6 | 0 | 0 | 0 | 0 | 108.6 | D122 S126 L130 | D122-S128 WeakPolarHBondContact OD2-CB 3.27Å; D122-S128 PolarHBondContact OD2-OG 3.13Å; S126-S128 PolarHBondContact O-N 3.25Å; S128-L130 PolarHBondContact O-N 2.53Å | ||
| 129 | S | 58.3 | Low | 56.5 | Low | 95 Ų | 95 | 138.6 Ų | 138.6 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | trans | -80.8 | -0.2 | -164.9 | 56.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 130 | L | 58.2 | Low | 56 | Low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -145.8 | 87.9 | -169.8 | -67 | 170.7 | 0 | 0 | 0 | 112.4 | S128 | S128-L130 PolarHBondContact O-N 2.53Š| ||
| 131 | G | 51.7 | Low | 55.3 | Low | 50 Ų | 50 | 134.7 Ų | 134.7 | 52% | 0.515 | 75% | 0.746 | S | S | . | * | trans | -103.1 | 118.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | C116 | C116-G131 PolarHBondContact SG-O 3.42Š| ||
| 132 | C | 55.8 | Low | 54.8 | Low | 75 Ų | 75 | 129.2 Ų | 129.2 | 51% | 0.507 | 74% | 0.736 | S | S | . | * | trans | 5.1 | 121.5 | 176.7 | -49.8 | 0 | 0 | 0 | 0 | 121.5 | G115 C116 | G115-C132 WeakPolarHBondContact O-CB 3.09Å; C116-C132 VanDerWaalsContact CA-SG 3.51Å; C116-C132 HydrophobicContact CB-CB 3.57Å; C116-C132 PolarHBondContact SG-N 3.32Å; C116-C132 VanDerWaalsContact SG-N 3.4Å | ||
| 133 | T | 53.3 | Low | 53.8 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -97.5 | 121.3 | 157.4 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 134 | T | 55 | Low | 52.2 | Low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | -97.3 | 92.2 | 161.1 | 52.4 | 0 | 0 | 0 | 0 | 108.1 | G136 | T134-G136 PolarHBondContact O-N 3.04Š| ||
| 135 | V | 53.6 | Low | 51.6 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | -72 | 95.2 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | K137 | V135-K137 PolarHBondContact O-N 3.31Š| ||
| 136 | G | 48 | Very low | 51.1 | Low | 60 Ų | 60 | 128.2 Ų | 128.2 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -78.5 | 104.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T134 Y138 | T134-G136 PolarHBondContact O-N 3.04Å; G136-Y138 PolarHBondContact O-N 3.05Å | ||
| 137 | K | 56.2 | Low | 50.8 | Low | 187 Ų | 187 | 130.9 Ų | 130.9 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -60 | 120.4 | 169.8 | -72.9 | 175.2 | 168.3 | 177.7 | 0 | 110.5 | V135 | V135-K137 PolarHBondContact O-N 3.31Š| ||
| 138 | Y | 49.5 | Very low | 50.4 | Low | 226 Ų | 226 | 128.2 Ų | 128.2 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | trans | -138.7 | 132.7 | 146.4 | -58.9 | -77 | 0 | 0 | 0 | 109.3 | G136 | G136-Y138 PolarHBondContact O-N 3.05Š| ||
| 139 | S | 49 | Very low | 50.1 | Low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 160.6 | -169.8 | 42 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 140 | E | 47.1 | Very low | 49.5 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -4.4 | 135.1 | 157.2 | -65.5 | -174.6 | 131.6 | 0 | 0 | 118 | ||||
| 141 | F | 42.6 | Very low | 48.9 | Very low | 218 Ų | 218 | 130.7 Ų | 130.7 | 96% | 0.956 | 81% | 0.813 | S | S | * | * | -159.6 | 121.3 | 118.4 | -108.1 | -78.1 | 0 | 0 | 0 | 108.9 | |||||
| 142 | G | 46 | Very low | 48.7 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 84% | 0.836 | S | S | * | * | trans | -83.4 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 143 | S | 39.3 | Very low | 48.1 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 94% | 0.937 | 86% | 0.864 | S | S | * | * | trans | 159.5 | 126.7 | 133.8 | -74.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 144 | G | 38 | Very low | 47.7 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 100% | 1.598 | 87% | 0.872 | S | S | * | * | trans | 161 | 0 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 144 of 144 residues in 223.1 ms
(Link to these results)