| 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 | 36.9 | Very low | 50.3 | Low | 250 Ų | 250 | 121.7 Ų | 121.7 | 100% | 1.232 | 73% | 0.733 | S | S | * | * | 0 | 102.4 | 0 | -68.7 | -71.5 | 172.9 | 0 | 0 | 107.2 | |||||
| 2 | A | 49.1 | Very low | 50.5 | Low | 96 Ų | 96 | 123.6 Ų | 123.6 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | trans | -93.3 | 117.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | L | 49.9 | Very low | 50.7 | Low | 136 Ų | 136 | 124.6 Ų | 124.6 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | trans | 51.3 | 104.4 | 143.1 | -56.5 | 166.6 | 0 | 0 | 0 | 119.6 | ||||
| 4 | P | 50.6 | Low | 50.9 | Low | 129 Ų | 129 | 120.8 Ų | 120.8 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -95.5 | 54.7 | 155.7 | 38.7 | -30.5 | 0 | 0 | 0 | 110.5 | ||
| 5 | C | 53.7 | Low | 50.7 | Low | 92 Ų | 92 | 121.7 Ų | 121.7 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | trans | -113.7 | -2.3 | -176.5 | -67.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 6 | T | 52.1 | Low | 50.8 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -97.8 | -14 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 7 | L | 51.5 | Low | 51.1 | Low | 153 Ų | 153 | 117.6 Ų | 117.6 | 80% | 0.801 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -75.8 | -25.1 | -179.9 | -117.7 | 91.4 | 0 | 0 | 0 | 113.8 | ||
| 8 | G | 51.8 | Low | 50.9 | Low | 49 Ų | 49 | 115.8 Ų | 115.8 | 51% | 0.505 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -74.3 | -34.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M11 | G8-M11 PolarHBondContact O-N 3.43Å |
| 9 | L | 53.2 | Low | 50.5 | Low | 125 Ų | 125 | 119 Ų | 119 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -72.7 | -32.1 | -178.9 | -84.7 | 158.4 | 0 | 0 | 0 | 112.5 | M11 | L9-M11 VanDerWaalsContact C-N 3.32Å; L9-M11 PolarHBondContact O-N 3.05Å |
| 10 | G | 53.4 | Low | 50.3 | Low | 46 Ų | 46 | 117 Ų | 117 | 47% | 0.474 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -68 | -30 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L13 A14 | G10-L13 PolarHBondContact O-N 3.23Å; G10-A14 WeakPolarHBondContact O-CB 3.11Å; G10-A14 PolarHBondContact O-N 3.47Å; G10-A14 VanDerWaalsContact O-N 3.08Å |
| 11 | M | 51.4 | Low | 50.5 | Low | 147 Ų | 147 | 117.2 Ų | 117.2 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -75 | -30.6 | -178 | -149.3 | 178.4 | -175.8 | 0 | 0 | 112.7 | G8 L9 A14 | G8-M11 PolarHBondContact O-N 3.43Å; L9-M11 VanDerWaalsContact C-N 3.32Å; L9-M11 PolarHBondContact O-N 3.05Å; M11-A14 PolarHBondContact O-N 2.55Å |
| 12 | L | 52.3 | Low | 51 | Low | 144 Ų | 144 | 109.2 Ų | 109.2 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -69.9 | -32 | 170.6 | -88.9 | 120.6 | 0 | 0 | 0 | 112.6 | A14 | L12-A14 VanDerWaalsContact C-N 3.35Å |
| 13 | L | 53.3 | Low | 50.7 | Low | 137 Ų | 137 | 108 Ų | 108 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -78.7 | -15.9 | 174.7 | -89.4 | 141 | 0 | 0 | 0 | 113.5 | G10 P16 | G10-L13 PolarHBondContact O-N 3.23Å; L13-P16 WeakPolarHBondContact O-CD 3.48Å |
| 14 | A | 53.1 | Low | 50.7 | Low | 71 Ų | 71 | 106.6 Ų | 106.6 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -6.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G10 M11 L12 | G10-A14 WeakPolarHBondContact O-CB 3.11Å; G10-A14 PolarHBondContact O-N 3.47Å; G10-A14 VanDerWaalsContact O-N 3.08Å; M11-A14 PolarHBondContact O-N 2.55Å; L12-A14 VanDerWaalsContact C-N 3.35Å |
| 15 | L | 48.4 | Very low | 50.4 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 22.4 | -179.1 | -130.1 | 76.4 | 0 | 0 | 0 | 118 | G17 | L15-G17 VanDerWaalsContact C-N 3.29Š|
| 16 | P | 52.2 | Low | 50.5 | Low | 118 Ų | 118 | 106.5 Ų | 106.5 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -8.2 | 162.7 | -16.3 | 30.3 | 0 | 0 | 0 | 114.4 | L13 | L13-P16 WeakPolarHBondContact O-CD 3.48Š|
| 17 | G | 55.1 | Low | 50.7 | Low | 57 Ų | 57 | 108 Ų | 108 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -107.7 | -13.5 | -162.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | L15 L19 | L15-G17 VanDerWaalsContact C-N 3.29Å; G17-L19 PolarHBondContact O-N 3.42Å |
| 18 | A | 47.6 | Very low | 50.9 | Low | 85 Ų | 85 | 105 Ų | 105 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 13.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 19 | L | 44.2 | Very low | 51 | Low | 176 Ų | 176 | 107.2 Ų | 107.2 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 4.8 | 169.8 | -69.4 | 171.2 | 0 | 0 | 0 | 113.2 | G17 S21 | G17-L19 PolarHBondContact O-N 3.42Å; L19-S21 PolarHBondContact O-N 3.37Å; L19-S21 VanDerWaalsContact O-N 3.1Å |
| 20 | G | 46.3 | Very low | 51.4 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -84.9 | 55.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 21 | S | 55.2 | Low | 52.2 | Low | 123 Ų | 123 | 104.6 Ų | 104.6 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | trans | -131.2 | 96.2 | 169.4 | -166 | 0 | 0 | 0 | 0 | 109 | L19 | L19-S21 PolarHBondContact O-N 3.37Å; L19-S21 VanDerWaalsContact O-N 3.1Å | ||
| 22 | G | 46.4 | Very low | 53.3 | Low | 81 Ų | 81 | 100.5 Ų | 100.5 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 134.9 | 98 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 23 | G | 43.3 | Very low | 54.6 | Low | 71 Ų | 71 | 96.5 Ų | 96.5 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | trans | 115.9 | 108.3 | 151.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A25 | G23-A25 PolarHBondContact O-N 3.5Å; G23-A25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | S | 49.1 | Very low | 56 | Low | 106 Ų | 106 | 94.4 Ų | 94.4 | 74% | 0.741 | 66% | 0.66 | S | S | * | * | trans | -40.9 | 113.2 | 156.7 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | E26 | S24-E26 PolarHBondContact OG-OE2 3.45Š| ||
| 25 | A | 45 | Very low | 57.6 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 54% | 0.537 | 66% | 0.657 | S | S | . | * | trans | -157.7 | 68.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | G23 | G23-A25 PolarHBondContact O-N 3.5Å; G23-A25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | E | 55.6 | Low | 59.5 | Low | 154 Ų | 154 | 93.2 Ų | 93.2 | 72% | 0.72 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | 142.8 | 177.8 | -66.1 | 146.6 | 112.1 | 0 | 0 | 108.4 | S24 | S24-E26 PolarHBondContact OG-OE2 3.45Š|
| 27 | D | 56 | Low | 61.2 | Low | 149 Ų | 149 | 92 Ų | 92 | 80% | 0.797 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.9 | -37.4 | 175.6 | -44.3 | -20.7 | 0 | 0 | 0 | 118 | S31 | D27-S31 PolarHBondContact O-OG 3.03Š|
| 28 | S | 55.4 | Low | 62.9 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -88.2 | -37.1 | -177.7 | -178 | 0 | 0 | 0 | 0 | 114 | S31 S32 | S28-S31 PolarHBondContact O-N 3.45Å; S28-S32 PolarHBondContact O-N 3.47Å |
| 29 | V | 54.2 | Low | 65.1 | Low | 95 Ų | 95 | 96.5 Ų | 96.5 | 58% | 0.576 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.7 | -37 | -175 | 177.8 | 0 | 0 | 0 | 0 | 112 | S31 S32 S33 | V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.26Å; V29-S32 PolarHBondContact O-N 3.37Å; V29-S32 PolarHBondContact O-OG 3.05Å; V29-S33 PolarHBondContact O-N 2.93Å; V29-S33 PolarHBondContact O-OG 3.15Å |
| 30 | G | 61.1 | Low | 67.3 | Low | 42 Ų | 42 | 93 Ų | 93 | 43% | 0.433 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.5 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S33 V34 | G30-S33 PolarHBondContact O-OG 3.28Å; G30-S33 VanDerWaalsContact O-OG 3.1Å; G30-V34 VanDerWaalsContact O-CB 3.26Å; G30-V34 WeakPolarHBondContact O-CB 3.42Å; G30-V34 WeakPolarHBondContact O-CG2 3.29Å; G30-V34 PolarHBondContact O-N 2.96Å |
| 31 | S | 70.1 | Confident | 69.3 | Low | 75 Ų | 75 | 94 Ų | 94 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.4 | -43.7 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | D27 S28 V29 V34 T35 | D27-S31 PolarHBondContact O-OG 3.03Å; S28-S31 PolarHBondContact O-N 3.45Å; V29-S31 VanDerWaalsContact C-N 3.32Å; V29-S31 PolarHBondContact O-N 3.26Å; S31-V34 PolarHBondContact O-N 3.36Å; S31-T35 VanDerWaalsContact O-CG2 3.24Å; S31-T35 WeakPolarHBondContact O-CG2 3.36Å; S31-T35 PolarHBondContact O-N 2.94Å; S31-T35 PolarHBondContact O-OG1 3.45Å |
| 32 | S | 74.9 | Confident | 71.1 | Confident | 61 Ų | 61 | 92.4 Ų | 92.4 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -45.3 | 177.9 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | S28 V29 V34 T35 V36 | S28-S32 PolarHBondContact O-N 3.47Å; V29-S32 PolarHBondContact O-N 3.37Å; V29-S32 PolarHBondContact O-OG 3.05Å; S32-V34 PolarHBondContact O-N 3.08Å; S32-T35 WeakPolarHBondContact CA-OG1 3.33Å; S32-T35 PolarHBondContact O-N 3.28Å; S32-T35 PolarHBondContact O-OG1 2.98Å; S32-V36 WeakPolarHBondContact O-CG2 3.49Å; S32-V36 PolarHBondContact O-N 3.02Å |
| 33 | S | 80.1 | Confident | 73.3 | Confident | 60 Ų | 60 | 93.8 Ų | 93.8 | 42% | 0.42 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.7 | -40.4 | 178.3 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | V29 G30 V36 V37 | V29-S33 PolarHBondContact O-N 2.93Å; V29-S33 PolarHBondContact O-OG 3.15Å; G30-S33 PolarHBondContact O-OG 3.28Å; G30-S33 VanDerWaalsContact O-OG 3.1Å; S33-V36 PolarHBondContact O-N 2.75Å; S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.13Å; S33-V37 PolarHBondContact O-N 2.9Å |
| 34 | V | 83.3 | Confident | 75.6 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.558 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.1 | -43.6 | 173.5 | 170.7 | 0 | 0 | 0 | 0 | 111 | G30 S31 S32 V36 V37 L38 | G30-V34 VanDerWaalsContact O-CB 3.26Å; G30-V34 WeakPolarHBondContact O-CB 3.42Å; G30-V34 WeakPolarHBondContact O-CG2 3.29Å; G30-V34 PolarHBondContact O-N 2.96Å; S31-V34 PolarHBondContact O-N 3.36Å; S32-V34 PolarHBondContact O-N 3.08Å; V34-V36 PolarHBondContact O-N 2.82Å; V34-V37 PolarHBondContact O-N 2.7Å; V34-L38 VanDerWaalsContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CB 3.32Å; V34-L38 PolarHBondContact O-N 3.23Å |
| 35 | T | 86.7 | Confident | 77.7 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -40.1 | 176.6 | 59 | 0 | 0 | 0 | 0 | 112.4 | S31 S32 L38 L39 | S31-T35 VanDerWaalsContact O-CG2 3.24Å; S31-T35 WeakPolarHBondContact O-CG2 3.36Å; S31-T35 PolarHBondContact O-N 2.94Å; S31-T35 PolarHBondContact O-OG1 3.45Å; S32-T35 WeakPolarHBondContact CA-OG1 3.33Å; S32-T35 PolarHBondContact O-N 3.28Å; S32-T35 PolarHBondContact O-OG1 2.98Å; T35-L38 PolarHBondContact O-N 2.88Å; T35-L39 VanDerWaalsContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CB 3.25Å; T35-L39 PolarHBondContact O-N 3.27Å |
| 36 | V | 87.8 | Confident | 80 | Confident | 93 Ų | 93 | 97.3 Ų | 97.3 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -45.6 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | S32 S33 V34 L38 L39 L40 | S32-V36 WeakPolarHBondContact O-CG2 3.49Å; S32-V36 PolarHBondContact O-N 3.02Å; S33-V36 PolarHBondContact O-N 2.75Å; V34-V36 PolarHBondContact O-N 2.82Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.04Å; V36-L39 PolarHBondContact O-N 3.26Å; V36-L40 VanDerWaalsContact O-CB 3.29Å; V36-L40 WeakPolarHBondContact O-CB 3.49Å; V36-L40 PolarHBondContact O-N 3.41Å |
| 37 | V | 88.4 | Confident | 81.7 | Confident | 94 Ų | 94 | 94.1 Ų | 94.1 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | S33 V34 L40 L41 | S33-V37 VanDerWaalsContact O-CG2 3.3Å; S33-V37 WeakPolarHBondContact O-CG2 3.13Å; S33-V37 PolarHBondContact O-N 2.9Å; V34-V37 PolarHBondContact O-N 2.7Å; V37-L40 PolarHBondContact O-N 3Å; V37-L41 VanDerWaalsContact O-CB 3.28Å; V37-L41 WeakPolarHBondContact O-CB 3.46Å; V37-L41 PolarHBondContact O-N 3.13Å |
| 38 | L | 90.8 | Very high | 83.2 | Confident | 114 Ų | 114 | 90.3 Ų | 90.3 | 60% | 0.597 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 179.1 | -161.1 | 122.1 | 0 | 0 | 0 | 111.8 | V34 T35 V36 L41 L42 | V34-L38 VanDerWaalsContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CB 3.32Å; V34-L38 PolarHBondContact O-N 3.23Å; T35-L38 PolarHBondContact O-N 2.88Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.04Å; L38-L41 PolarHBondContact O-N 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 PolarHBondContact O-N 2.99Å |
| 39 | L | 93.7 | Very high | 84.8 | Confident | 122 Ų | 122 | 87.9 Ų | 87.9 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -40.1 | 176.1 | -153.9 | 80.4 | 0 | 0 | 0 | 111.2 | T35 V36 L42 L43 | T35-L39 VanDerWaalsContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CB 3.25Å; T35-L39 PolarHBondContact O-N 3.27Å; V36-L39 PolarHBondContact O-N 3.26Å; L39-L42 PolarHBondContact O-N 2.85Å; L39-L43 VanDerWaalsContact O-CB 3.23Å; L39-L43 WeakPolarHBondContact O-CB 3.26Å; L39-L43 PolarHBondContact O-N 3.47Å |
| 40 | L | 88.9 | Confident | 86.5 | Confident | 101 Ų | 101 | 88.6 Ų | 88.6 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 176.2 | -167.5 | 156 | 0 | 0 | 0 | 110.7 | V36 V37 L43 L44 | V36-L40 VanDerWaalsContact O-CB 3.29Å; V36-L40 WeakPolarHBondContact O-CB 3.49Å; V36-L40 PolarHBondContact O-N 3.41Å; V37-L40 PolarHBondContact O-N 3Å; L40-L43 PolarHBondContact O-N 2.84Å; L40-L44 WeakPolarHBondContact O-CB 3.18Å; L40-L44 PolarHBondContact O-N 3.15Å |
| 41 | L | 90.4 | Very high | 87.6 | Confident | 101 Ų | 101 | 89.2 Ų | 89.2 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.6 | -172.5 | 132.3 | 0 | 0 | 0 | 111.1 | V37 L38 L43 L44 L45 | V37-L41 VanDerWaalsContact O-CB 3.28Å; V37-L41 WeakPolarHBondContact O-CB 3.46Å; V37-L41 PolarHBondContact O-N 3.13Å; L38-L41 PolarHBondContact O-N 3.27Å; L41-L43 PolarHBondContact O-N 2.86Å; L41-L44 WeakPolarHBondContact O-CB 3.25Å; L41-L44 PolarHBondContact O-N 2.77Å; L41-L45 HydrophobicContact CD2-CD1 3.66Å; L41-L45 HydrophobicContact CG-CD1 3.92Å; L41-L45 WeakPolarHBondContact O-CD1 3.22Å; L41-L45 PolarHBondContact O-N 3.37Å |
| 42 | L | 92.3 | Very high | 88.3 | Confident | 88 Ų | 88 | 90.9 Ų | 90.9 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 174.4 | 177.1 | 65 | 0 | 0 | 0 | 111.3 | L38 L39 L44 L45 L46 | L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 PolarHBondContact O-N 2.99Å; L39-L42 PolarHBondContact O-N 2.85Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.28Å; L42-L45 WeakPolarHBondContact O-CB 3.37Å; L42-L45 PolarHBondContact O-N 3.36Å; L42-L46 HydrophobicContact CD1-CD1 3.66Å; L42-L46 HydrophobicContact CG-CD1 3.91Å; L42-L46 WeakPolarHBondContact O-CD1 3.15Å; L42-L46 PolarHBondContact O-N 3.41Å |
| 43 | L | 92.8 | Very high | 88.8 | Confident | 110 Ų | 110 | 90.7 Ų | 90.7 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.8 | -43.4 | 176.4 | -179.8 | 66.7 | 0 | 0 | 0 | 110.9 | L39 L40 L41 L45 L46 V47 | L39-L43 VanDerWaalsContact O-CB 3.23Å; L39-L43 WeakPolarHBondContact O-CB 3.26Å; L39-L43 PolarHBondContact O-N 3.47Å; L40-L43 PolarHBondContact O-N 2.84Å; L41-L43 PolarHBondContact O-N 2.86Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.06Å; L43-L46 WeakPolarHBondContact O-CB 3.44Å; L43-L46 PolarHBondContact O-N 3Å; L43-V47 WeakPolarHBondContact O-CG2 3.41Å; L43-V47 PolarHBondContact O-N 2.91Å |
| 44 | L | 90.9 | Very high | 88.8 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 177 | -142 | 84.8 | 0 | 0 | 0 | 111.4 | L40 L41 L42 L46 V47 T48 | L40-L44 WeakPolarHBondContact O-CB 3.18Å; L40-L44 PolarHBondContact O-N 3.15Å; L41-L44 WeakPolarHBondContact O-CB 3.25Å; L41-L44 PolarHBondContact O-N 2.77Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 3.28Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L44-V47 PolarHBondContact O-N 3.25Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.29Å; L44-T48 PolarHBondContact O-N 3.38Å; L44-T48 PolarHBondContact O-OG1 3.42Å |
| 45 | L | 93.1 | Very high | 88.5 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.4 | -93.4 | 83.8 | 0 | 0 | 0 | 111.7 | L41 L42 L43 T48 G49 | L41-L45 HydrophobicContact CD2-CD1 3.66Å; L41-L45 HydrophobicContact CG-CD1 3.92Å; L41-L45 WeakPolarHBondContact O-CD1 3.22Å; L41-L45 PolarHBondContact O-N 3.37Å; L42-L45 WeakPolarHBondContact O-CB 3.37Å; L42-L45 PolarHBondContact O-N 3.36Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.06Å; L45-T48 WeakPolarHBondContact CA-OG1 3.5Å; L45-T48 PolarHBondContact O-OG1 2.82Å; L45-T48 VanDerWaalsContact O-OG1 3.09Å; L45-G49 WeakPolarHBondContact O-CA 3.33Å; L45-G49 PolarHBondContact O-N 3.47Å |
| 46 | L | 93.9 | Very high | 88.1 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -47.9 | 175.9 | -96.6 | 78.8 | 0 | 0 | 0 | 111.5 | L42 L43 L44 G49 L50 | L42-L46 HydrophobicContact CD1-CD1 3.66Å; L42-L46 HydrophobicContact CG-CD1 3.91Å; L42-L46 WeakPolarHBondContact O-CD1 3.15Å; L42-L46 PolarHBondContact O-N 3.41Å; L43-L46 WeakPolarHBondContact O-CB 3.44Å; L43-L46 PolarHBondContact O-N 3Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L46-G49 PolarHBondContact O-N 3.44Å; L46-L50 VanDerWaalsContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 PolarHBondContact O-N 2.84Å |
| 47 | V | 91 | Very high | 87.6 | Confident | 86 Ų | 86 | 102.1 Ų | 102.1 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | -178.7 | 172.4 | 0 | 0 | 0 | 0 | 111 | L43 L44 L50 A51 | L43-V47 WeakPolarHBondContact O-CG2 3.41Å; L43-V47 PolarHBondContact O-N 2.91Å; L44-V47 PolarHBondContact O-N 3.25Å; V47-L50 PolarHBondContact O-N 2.82Å; V47-A51 WeakPolarHBondContact O-CB 3.15Å; V47-A51 PolarHBondContact O-N 2.83Å |
| 48 | T | 86.8 | Confident | 86.6 | Confident | 70 Ų | 70 | 98.5 Ų | 98.5 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 178 | 51.9 | 0 | 0 | 0 | 0 | 112 | L44 L45 A51 L52 | L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.29Å; L44-T48 PolarHBondContact O-N 3.38Å; L44-T48 PolarHBondContact O-OG1 3.42Å; L45-T48 WeakPolarHBondContact CA-OG1 3.5Å; L45-T48 PolarHBondContact O-OG1 2.82Å; L45-T48 VanDerWaalsContact O-OG1 3.09Å; T48-A51 PolarHBondContact O-N 3.29Å; T48-L52 VanDerWaalsContact O-CD1 3.29Å; T48-L52 WeakPolarHBondContact O-CD1 3.08Å; T48-L52 PolarHBondContact O-N 2.85Å |
| 49 | G | 90.2 | Very high | 85.6 | Confident | 38 Ų | 38 | 102.7 Ų | 102.7 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L45 L46 L52 A53 | L45-G49 WeakPolarHBondContact O-CA 3.33Å; L45-G49 PolarHBondContact O-N 3.47Å; L46-G49 PolarHBondContact O-N 3.44Å; G49-L52 PolarHBondContact O-N 3.04Å; G49-A53 WeakPolarHBondContact O-CB 3.38Å; G49-A53 PolarHBondContact O-N 3.32Å |
| 50 | L | 90.3 | Very high | 84.5 | Confident | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -45.9 | 173.9 | -176.9 | 62.9 | 0 | 0 | 0 | 110.9 | L46 V47 L52 A53 W54 | L46-L50 VanDerWaalsContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 PolarHBondContact O-N 2.84Å; V47-L50 PolarHBondContact O-N 2.82Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 3.23Å; L50-A53 PolarHBondContact O-N 3.45Å; L50-W54 HydrophobicContact CD1-CE3 4.3Å; L50-W54 VanDerWaalsContact O-CB 3.22Å; L50-W54 WeakPolarHBondContact O-CB 3.39Å; L50-W54 PolarHBondContact O-N 2.82Å |
| 51 | A | 84.1 | Confident | 83.4 | Confident | 55 Ų | 55 | 100.3 Ų | 100.3 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | V47 T48 R55 | V47-A51 WeakPolarHBondContact O-CB 3.15Å; V47-A51 PolarHBondContact O-N 2.83Å; T48-A51 PolarHBondContact O-N 3.29Å; A51-R55 VanDerWaalsContact O-CB 3.31Å; A51-R55 WeakPolarHBondContact O-CB 3.47Å; A51-R55 PolarHBondContact O-N 3.03Å |
| 52 | L | 83.1 | Confident | 82.2 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.6 | -45 | 176.1 | -100.2 | 75.9 | 0 | 0 | 0 | 112.2 | T48 G49 L50 W54 R55 R56 | T48-L52 VanDerWaalsContact O-CD1 3.29Å; T48-L52 WeakPolarHBondContact O-CD1 3.08Å; T48-L52 PolarHBondContact O-N 2.85Å; G49-L52 PolarHBondContact O-N 3.04Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 3.23Å; L52-W54 VanDerWaalsContact C-N 3.25Å; L52-W54 PolarHBondContact O-N 3.09Å; L52-R55 PolarHBondContact O-N 3.42Å; L52-R56 WeakPolarHBondContact O-CB 3.31Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 3.35Å |
| 53 | A | 86.4 | Confident | 80.9 | Confident | 57 Ų | 57 | 96.4 Ų | 96.4 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G49 L50 R56 L57 | G49-A53 WeakPolarHBondContact O-CB 3.38Å; G49-A53 PolarHBondContact O-N 3.32Å; L50-A53 PolarHBondContact O-N 3.45Å; A53-R56 PolarHBondContact O-N 2.71Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 3.48Å |
| 54 | W | 80.9 | Confident | 79.3 | Confident | 115 Ų | 115 | 100.8 Ų | 100.8 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 174.5 | -150.8 | -73.8 | 0 | 0 | 0 | 111.9 | L50 L52 R56 L57 S58 P67 | L50-W54 HydrophobicContact CD1-CE3 4.3Å; L50-W54 VanDerWaalsContact O-CB 3.22Å; L50-W54 WeakPolarHBondContact O-CB 3.39Å; L50-W54 PolarHBondContact O-N 2.82Å; L52-W54 VanDerWaalsContact C-N 3.25Å; L52-W54 PolarHBondContact O-N 3.09Å; W54-R56 VanDerWaalsContact C-N 3.3Å; W54-R56 PolarHBondContact O-N 3.13Å; W54-L57 PolarHBondContact O-N 2.82Å; W54-S58 WeakPolarHBondContact O-CB 3.39Å; W54-S58 PolarHBondContact O-N 3.16Å; W54-S58 PolarHBondContact O-OG 3.05Å; W54-P67 HydrophobicContact CZ2-CG 4.42Å |
| 55 | R | 75.4 | Confident | 77.8 | Confident | 188 Ų | 188 | 102.4 Ų | 102.4 | 71% | 0.709 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 176.5 | -173.7 | 179.2 | -178.6 | -169 | 1.2 | 111.7 | A51 L52 R59 | A51-R55 VanDerWaalsContact O-CB 3.31Å; A51-R55 WeakPolarHBondContact O-CB 3.47Å; A51-R55 PolarHBondContact O-N 3.03Å; L52-R55 PolarHBondContact O-N 3.42Å; R55-R59 VanDerWaalsContact O-CB 3.25Å; R55-R59 WeakPolarHBondContact O-CB 3.36Å; R55-R59 PolarHBondContact O-N 2.88Å |
| 56 | R | 80.1 | Confident | 76 | Confident | 182 Ų | 182 | 103.2 Ų | 103.2 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -50.8 | 173.5 | -79.1 | -175.7 | 172.5 | -94.2 | 2.7 | 110.7 | L52 A53 W54 S58 R59 D60 | L52-R56 WeakPolarHBondContact O-CB 3.31Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 3.35Å; A53-R56 PolarHBondContact O-N 2.71Å; W54-R56 VanDerWaalsContact C-N 3.3Å; W54-R56 PolarHBondContact O-N 3.13Å; R56-S58 VanDerWaalsContact C-N 3.33Å; R56-S58 PolarHBondContact O-N 3.22Å; R56-R59 WeakPolarHBondContact O-CB 3.47Å; R56-R59 PolarHBondContact O-N 3.19Å; R56-D60 VanDerWaalsContact O-CG 3.31Å; R56-D60 PolarHBondContact O-N 2.8Å |
| 57 | L | 76.3 | Confident | 74.2 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 177.9 | -172.2 | 68.2 | 0 | 0 | 0 | 112.1 | A53 W54 R59 D60 S61 | A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 3.48Å; W54-L57 PolarHBondContact O-N 2.82Å; L57-R59 VanDerWaalsContact C-N 3.32Å; L57-R59 PolarHBondContact O-N 2.92Å; L57-D60 PolarHBondContact O-N 3.38Å; L57-S61 WeakPolarHBondContact O-CB 3Å; L57-S61 PolarHBondContact O-N 3.18Å; L57-S61 PolarHBondContact O-OG 3.09Å |
| 58 | S | 67.9 | Low | 72.6 | Confident | 18 Ų | 18 | 99.7 Ų | 99.7 | 13% | 0.126 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.6 | -34.5 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | W54 R56 G62 G63 | W54-S58 WeakPolarHBondContact O-CB 3.39Å; W54-S58 PolarHBondContact O-N 3.16Å; W54-S58 PolarHBondContact O-OG 3.05Å; R56-S58 VanDerWaalsContact C-N 3.33Å; R56-S58 PolarHBondContact O-N 3.22Å; S58-G62 PolarHBondContact O-N 3.48Å; S58-G63 PolarHBondContact O-N 3.41Å |
| 59 | R | 69.8 | Low | 71.1 | Confident | 203 Ų | 203 | 107 Ų | 107 | 77% | 0.766 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.5 | -41.3 | 176.4 | -169.4 | 178 | -179.7 | 92.6 | -1.2 | 111.5 | R55 R56 L57 S61 | R55-R59 VanDerWaalsContact O-CB 3.25Å; R55-R59 WeakPolarHBondContact O-CB 3.36Å; R55-R59 PolarHBondContact O-N 2.88Å; R56-R59 WeakPolarHBondContact O-CB 3.47Å; R56-R59 PolarHBondContact O-N 3.19Å; L57-R59 VanDerWaalsContact C-N 3.32Å; L57-R59 PolarHBondContact O-N 2.92Å; R59-S61 VanDerWaalsContact C-N 3.34Å |
| 60 | D | 70.4 | Confident | 69.5 | Low | 131 Ų | 131 | 111.7 Ų | 111.7 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.3 | -29.7 | 177.9 | -63.4 | -19.1 | 0 | 0 | 0 | 111.5 | R56 L57 | R56-D60 VanDerWaalsContact O-CG 3.31Å; R56-D60 PolarHBondContact O-N 2.8Å; L57-D60 PolarHBondContact O-N 3.38Å |
| 61 | S | 64.5 | Low | 68.1 | Low | 41 Ų | 41 | 108.3 Ų | 108.3 | 29% | 0.287 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 11.3 | 179.9 | -51.3 | 0 | 0 | 0 | 0 | 114.1 | L57 R59 G63 Y64 | L57-S61 WeakPolarHBondContact O-CB 3Å; L57-S61 PolarHBondContact O-N 3.18Å; L57-S61 PolarHBondContact O-OG 3.09Å; R59-S61 VanDerWaalsContact C-N 3.34Å; S61-G63 PolarHBondContact O-N 2.89Å; S61-Y64 PolarHBondContact O-N 2.77Å; S61-Y64 VanDerWaalsContact O-N 3.13Å |
| 62 | G | 66.4 | Low | 67 | Low | 78 Ų | 78 | 108.8 Ų | 108.8 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.1 | 23.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S58 | S58-G62 PolarHBondContact O-N 3.48Š|
| 63 | G | 63.9 | Low | 66 | Low | 29 Ų | 29 | 106.8 Ų | 106.8 | 30% | 0.299 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.8 | 8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | S58 S61 Y65 | S58-G63 PolarHBondContact O-N 3.41Å; S61-G63 PolarHBondContact O-N 2.89Å; G63-Y65 PolarHBondContact O-N 2.91Å |
| 64 | Y | 61.1 | Low | 64.8 | Low | 202 Ų | 202 | 109.9 Ų | 109.9 | 79% | 0.792 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -62.7 | -29.3 | -178.8 | -151.7 | -94.2 | 0 | 0 | 0 | 113.7 | S61 | S61-Y64 PolarHBondContact O-N 2.77Å; S61-Y64 VanDerWaalsContact O-N 3.13Å |
| 65 | Y | 57.7 | Low | 64.1 | Low | 142 Ų | 142 | 113.1 Ų | 113.1 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -106.4 | 67.1 | 175.8 | -63 | -81.6 | 0 | 0 | 0 | 111 | G63 P67 | G63-Y65 PolarHBondContact O-N 2.91Å; Y65-P67 VanDerWaalsContact O-CD 3.26Å; Y65-P67 WeakPolarHBondContact O-CD 3.44Å |
| 66 | H | 55.8 | Low | 63.7 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | trans | -95.2 | 105.2 | 171 | -112.8 | -63 | 0 | 0 | 0 | 110.7 | A68 | H66-A68 PolarHBondContact O-N 3.13Å; H66-A68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | P | 56.1 | Low | 62.9 | Low | 55 Ų | 55 | 105.1 Ų | 105.1 | 36% | 0.357 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 3.8 | 175.6 | 32.5 | -36 | 0 | 0 | 0 | 112.2 | W54 Y65 R69 L70 G71 | W54-P67 HydrophobicContact CZ2-CG 4.42Å; Y65-P67 VanDerWaalsContact O-CD 3.26Å; Y65-P67 WeakPolarHBondContact O-CD 3.44Å; P67-R69 PolarHBondContact O-N 3.19Å; P67-R69 VanDerWaalsContact O-N 3.13Å; P67-L70 PolarHBondContact O-N 3.28Å; P67-L70 VanDerWaalsContact O-N 3.09Å; P67-G71 WeakPolarHBondContact O-CA 3.27Å; P67-G71 PolarHBondContact O-N 3.46Å |
| 68 | A | 57.3 | Low | 62.5 | Low | 64 Ų | 64 | 104.1 Ų | 104.1 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -55.2 | -34.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | H66 A72 | H66-A68 PolarHBondContact O-N 3.13Å; H66-A68 VanDerWaalsContact O-N 3.15Å; A68-A72 WeakPolarHBondContact O-CB 3.23Å; A68-A72 PolarHBondContact O-N 3.19Å; A68-A72 VanDerWaalsContact O-N 3.16Å |
| 69 | R | 55.7 | Low | 62.5 | Low | 222 Ų | 222 | 110.2 Ų | 110.2 | 84% | 0.838 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -78.2 | -38.2 | 176.9 | -58.3 | -173.8 | 79.6 | -139.9 | 4.9 | 113 | P67 A73 | P67-R69 PolarHBondContact O-N 3.19Å; P67-R69 VanDerWaalsContact O-N 3.13Å; R69-A73 WeakPolarHBondContact O-CB 3.29Å; R69-A73 PolarHBondContact O-N 3.4Å |
| 70 | L | 57.1 | Low | 62.3 | Low | 137 Ų | 137 | 109 Ų | 109 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.8 | -40.8 | 178.6 | -84.5 | 136.4 | 0 | 0 | 0 | 112.4 | P67 L74 | P67-L70 PolarHBondContact O-N 3.28Å; P67-L70 VanDerWaalsContact O-N 3.09Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 PolarHBondContact O-N 2.77Å |
| 71 | G | 60.3 | Low | 62.1 | Low | 39 Ų | 39 | 107.9 Ų | 107.9 | 40% | 0.402 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P67 L74 W75 | P67-G71 WeakPolarHBondContact O-CA 3.27Å; P67-G71 PolarHBondContact O-N 3.46Å; G71-L74 PolarHBondContact O-N 2.85Å; G71-W75 WeakPolarHBondContact O-CA 3.27Å; G71-W75 WeakPolarHBondContact O-CB 3.28Å; G71-W75 PolarHBondContact O-N 3.47Å |
| 72 | A | 61.6 | Low | 62.1 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A68 W75 G76 | A68-A72 WeakPolarHBondContact O-CB 3.23Å; A68-A72 PolarHBondContact O-N 3.19Å; A68-A72 VanDerWaalsContact O-N 3.16Å; A72-W75 PolarHBondContact O-N 2.71Å; A72-G76 PolarHBondContact O-N 3.29Å |
| 73 | A | 61.4 | Low | 61.9 | Low | 68 Ų | 68 | 113 Ų | 113 | 56% | 0.562 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.6 | -43.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | R69 R77 | R69-A73 WeakPolarHBondContact O-CB 3.29Å; R69-A73 PolarHBondContact O-N 3.4Å; A73-R77 PolarHBondContact O-N 2.88Å |
| 74 | L | 60.8 | Low | 61.8 | Low | 121 Ų | 121 | 115.4 Ų | 115.4 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.9 | -40.4 | 177.3 | -157.3 | 77.1 | 0 | 0 | 0 | 111.2 | L70 G71 R77 T78 | L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 PolarHBondContact O-N 2.77Å; G71-L74 PolarHBondContact O-N 2.85Å; L74-R77 PolarHBondContact O-N 3.37Å; L74-T78 WeakPolarHBondContact O-CG2 3.29Å; L74-T78 PolarHBondContact O-N 2.85Å; L74-T78 PolarHBondContact O-OG1 3.47Å; L74-T78 VanDerWaalsContact O-OG1 3.13Å |
| 75 | W | 66.5 | Low | 61.7 | Low | 184 Ų | 184 | 108 Ų | 108 | 70% | 0.697 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 177.8 | -169.5 | -99.5 | 0 | 0 | 0 | 112.6 | G71 A72 R77 T78 R79 | G71-W75 WeakPolarHBondContact O-CA 3.27Å; G71-W75 WeakPolarHBondContact O-CB 3.28Å; G71-W75 PolarHBondContact O-N 3.47Å; A72-W75 PolarHBondContact O-N 2.71Å; W75-R77 VanDerWaalsContact C-N 3.27Å; W75-R77 PolarHBondContact O-N 3.48Å; W75-T78 WeakPolarHBondContact CA-OG1 3.45Å; W75-T78 PolarHBondContact O-N 3.48Å; W75-T78 PolarHBondContact O-OG1 3.31Å; W75-R79 WeakPolarHBondContact O-CB 3.38Å; W75-R79 PolarHBondContact O-N 2.81Å |
| 76 | G | 66.3 | Low | 61.8 | Low | 23 Ų | 23 | 106.5 Ų | 106.5 | 24% | 0.237 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -62.7 | -35.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A72 R80 | A72-G76 PolarHBondContact O-N 3.29Å; G76-R80 WeakPolarHBondContact O-CB 3.3Å; G76-R80 WeakPolarHBondContact O-CG 3.1Å; G76-R80 PolarHBondContact O-N 3.33Å; G76-R80 VanDerWaalsContact O-N 3.11Å; G76-R80 PolarHBondContact O-NE 2.9Å |
| 77 | R | 64.8 | Low | 62.1 | Low | 178 Ų | 178 | 104.5 Ų | 104.5 | 67% | 0.672 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.8 | -43.1 | 177.7 | -158 | 172.1 | -138.3 | 151.3 | 4.5 | 112.4 | A73 L74 W75 R80 L81 | A73-R77 PolarHBondContact O-N 2.88Å; L74-R77 PolarHBondContact O-N 3.37Å; W75-R77 VanDerWaalsContact C-N 3.27Å; W75-R77 PolarHBondContact O-N 3.48Å; R77-R80 PolarHBondContact O-N 3.37Å; R77-L81 VanDerWaalsContact O-CG 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.33Å; R77-L81 PolarHBondContact O-N 3.36Å |
| 78 | T | 67.6 | Low | 62.2 | Low | 66 Ų | 66 | 102 Ų | 102 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.1 | -36.1 | 176.1 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | L74 W75 L81 L82 | L74-T78 WeakPolarHBondContact O-CG2 3.29Å; L74-T78 PolarHBondContact O-N 2.85Å; L74-T78 PolarHBondContact O-OG1 3.47Å; L74-T78 VanDerWaalsContact O-OG1 3.13Å; W75-T78 WeakPolarHBondContact CA-OG1 3.45Å; W75-T78 PolarHBondContact O-N 3.48Å; W75-T78 PolarHBondContact O-OG1 3.31Å; T78-L81 PolarHBondContact O-N 2.85Å; T78-L82 VanDerWaalsContact O-CB 3.3Å; T78-L82 WeakPolarHBondContact O-CB 3.46Å; T78-L82 PolarHBondContact O-N 2.9Å |
| 79 | R | 66.8 | Low | 62.5 | Low | 146 Ų | 146 | 107.8 Ų | 107.8 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60 | -50.1 | 170.3 | -175.7 | 176.7 | 171.7 | -175.7 | -4.1 | 110.1 | W75 L81 L82 W83 | W75-R79 WeakPolarHBondContact O-CB 3.38Å; W75-R79 PolarHBondContact O-N 2.81Å; R79-L81 VanDerWaalsContact C-N 3.29Å; R79-L81 PolarHBondContact O-N 3.48Å; R79-L82 PolarHBondContact O-N 2.94Å; R79-L82 VanDerWaalsContact O-N 3.13Å; R79-W83 WeakPolarHBondContact O-CB 3.26Å; R79-W83 PolarHBondContact O-N 3.32Å |
| 80 | R | 66.6 | Low | 62.8 | Low | 178 Ų | 178 | 105.6 Ų | 105.6 | 67% | 0.672 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.1 | -41.6 | 175.4 | -81.9 | -176.3 | -82 | -116.5 | 2.7 | 112.6 | G76 R77 A84 | G76-R80 WeakPolarHBondContact O-CB 3.3Å; G76-R80 WeakPolarHBondContact O-CG 3.1Å; G76-R80 PolarHBondContact O-N 3.33Å; G76-R80 VanDerWaalsContact O-N 3.11Å; G76-R80 PolarHBondContact O-NE 2.9Å; R77-R80 PolarHBondContact O-N 3.37Å; R80-A84 WeakPolarHBondContact O-CB 3.3Å; R80-A84 PolarHBondContact O-N 3.3Å |
| 81 | L | 65.8 | Low | 63 | Low | 108 Ų | 108 | 104.1 Ų | 104.1 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -36.2 | 176.7 | -70.6 | 166.3 | 0 | 0 | 0 | 112.9 | R77 T78 R79 A84 S85 | R77-L81 VanDerWaalsContact O-CG 3.29Å; R77-L81 WeakPolarHBondContact O-CG 3.33Å; R77-L81 PolarHBondContact O-N 3.36Å; T78-L81 PolarHBondContact O-N 2.85Å; R79-L81 VanDerWaalsContact C-N 3.29Å; R79-L81 PolarHBondContact O-N 3.48Å; L81-A84 PolarHBondContact O-N 2.85Å; L81-S85 VanDerWaalsContact O-CB 3.3Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 3.36Å; L81-S85 PolarHBondContact O-OG 2.8Å |
| 82 | L | 64.4 | Low | 63 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.4 | -41.7 | 177 | -167 | 76.9 | 0 | 0 | 0 | 111.2 | T78 R79 S85 G88 | T78-L82 VanDerWaalsContact O-CB 3.3Å; T78-L82 WeakPolarHBondContact O-CB 3.46Å; T78-L82 PolarHBondContact O-N 2.9Å; R79-L82 PolarHBondContact O-N 2.94Å; R79-L82 VanDerWaalsContact O-N 3.13Å; L82-S85 PolarHBondContact O-N 3.26Å; L82-G88 WeakPolarHBondContact O-CA 3.08Å |
| 83 | W | 62.1 | Low | 62.9 | Low | 119 Ų | 119 | 104.8 Ų | 104.8 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.7 | -33.4 | 175 | -79 | 81.1 | 0 | 0 | 0 | 112.4 | R79 S85 Q92 | R79-W83 WeakPolarHBondContact O-CB 3.26Å; R79-W83 PolarHBondContact O-N 3.32Å; W83-S85 VanDerWaalsContact C-N 3.3Å; W83-Q92 HydrophobicContact CZ3-CB 4.04Å; W83-Q92 HydrophobicContact CZ3-CG 4.34Å |
| 84 | A | 62.7 | Low | 62.7 | Low | 79 Ų | 79 | 110 Ų | 110 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.8 | -14.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R80 L81 | R80-A84 WeakPolarHBondContact O-CB 3.3Å; R80-A84 PolarHBondContact O-N 3.3Å; L81-A84 PolarHBondContact O-N 2.85Å |
| 85 | S | 58.6 | Low | 62.6 | Low | 46 Ų | 46 | 107.8 Ų | 107.8 | 32% | 0.322 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -79.4 | 151.9 | 178.9 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | L81 L82 W83 P87 G88 R89 | L81-S85 VanDerWaalsContact O-CB 3.3Å; L81-S85 WeakPolarHBondContact O-CB 3.3Å; L81-S85 PolarHBondContact O-N 3.36Å; L81-S85 PolarHBondContact O-OG 2.8Å; L82-S85 PolarHBondContact O-N 3.26Å; W83-S85 VanDerWaalsContact C-N 3.3Å; S85-P87 VanDerWaalsContact C-CD 3.42Å; S85-P87 VanDerWaalsContact C-N 3.32Å; S85-P87 VanDerWaalsContact O-N 3.16Å; S85-G88 WeakPolarHBondContact O-CA 3.11Å; S85-G88 PolarHBondContact O-N 3.11Å; S85-R89 PolarHBondContact O-N 3.21Å |
| 86 | P | 60.1 | Low | 61.9 | Low | 110 Ų | 110 | 105.1 Ų | 105.1 | 71% | 0.714 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -47.1 | -40 | 177.5 | -25.1 | 31.8 | 0 | 0 | 0 | 116 | W90 | P86-W90 PolarHBondContact O-N 3.5Å |
| 87 | P | 61 | Low | 61.2 | Low | 78 Ų | 78 | 111.8 Ų | 111.8 | 51% | 0.506 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.8 | -28.7 | 174.1 | 25.2 | -35.7 | 0 | 0 | 0 | 114.1 | S85 W90 L91 | S85-P87 VanDerWaalsContact C-CD 3.42Å; S85-P87 VanDerWaalsContact C-N 3.32Å; S85-P87 VanDerWaalsContact O-N 3.16Å; P87-W90 WeakPolarHBondContact O-CB 3.32Å; P87-W90 PolarHBondContact O-N 2.83Å; P87-L91 WeakPolarHBondContact O-CD1 3.19Å; P87-L91 PolarHBondContact O-N 3.48Å |
| 88 | G | 59.8 | Low | 60.5 | Low | 3 Ų | 3 | 106.3 Ų | 106.3 | 3% | 0.031 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L82 S85 W90 L91 Q92 | L82-G88 WeakPolarHBondContact O-CA 3.08Å; S85-G88 WeakPolarHBondContact O-CA 3.11Å; S85-G88 PolarHBondContact O-N 3.11Å; G88-W90 VanDerWaalsContact C-N 3.3Å; G88-W90 PolarHBondContact O-N 2.94Å; G88-L91 PolarHBondContact O-N 3.24Å; G88-Q92 PolarHBondContact O-N 3.26Å |
| 89 | R | 61.8 | Low | 59.1 | Low | 186 Ų | 186 | 107 Ų | 107 | 70% | 0.702 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -33.8 | 172.4 | -66.1 | -169 | 67.4 | -122.7 | -3 | 112.9 | S85 A93 | S85-R89 PolarHBondContact O-N 3.21Å; R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 3.34Å |
| 90 | W | 62.5 | Low | 58.1 | Low | 176 Ų | 176 | 106.5 Ų | 106.5 | 67% | 0.667 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71 | -36.2 | 176.5 | -165.5 | 84.4 | 0 | 0 | 0 | 112.1 | P86 P87 G88 R94 | P86-W90 PolarHBondContact O-N 3.5Å; P87-W90 WeakPolarHBondContact O-CB 3.32Å; P87-W90 PolarHBondContact O-N 2.83Å; G88-W90 VanDerWaalsContact C-N 3.3Å; G88-W90 PolarHBondContact O-N 2.94Å; W90-R94 PolarHBondContact O-N 3.1Å; W90-R94 VanDerWaalsContact O-N 3.14Å |
| 91 | L | 61.7 | Low | 56.9 | Low | 106 Ų | 106 | 103.9 Ų | 103.9 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -40.3 | 172.1 | -82.7 | 143.6 | 0 | 0 | 0 | 112.3 | P87 G88 R94 A95 | P87-L91 WeakPolarHBondContact O-CD1 3.19Å; P87-L91 PolarHBondContact O-N 3.48Å; G88-L91 PolarHBondContact O-N 3.24Å; L91-R94 PolarHBondContact O-N 3.31Å; L91-A95 PolarHBondContact O-N 3.03Å |
| 92 | Q | 60.5 | Low | 55.5 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 32% | 0.318 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -46.4 | 174.3 | -175.6 | 170.3 | -9.2 | 0 | 0 | 112 | W83 G88 R94 A95 E96 | W83-Q92 HydrophobicContact CZ3-CB 4.04Å; W83-Q92 HydrophobicContact CZ3-CG 4.34Å; G88-Q92 PolarHBondContact O-N 3.26Å; Q92-R94 PolarHBondContact O-N 2.94Å; Q92-A95 WeakPolarHBondContact O-CB 3.44Å; Q92-A95 PolarHBondContact O-N 3.49Å; Q92-E96 PolarHBondContact NE2-OE1 3.46Å; Q92-E96 PolarHBondContact O-N 3.34Å |
| 93 | A | 59.2 | Low | 54.4 | Low | 49 Ų | 49 | 107.8 Ų | 107.8 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.5 | -28 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R89 L97 | R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 3.34Å; A93-L97 PolarHBondContact O-N 3Å |
| 94 | R | 58 | Low | 53.6 | Low | 179 Ų | 179 | 108.8 Ų | 108.8 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.1 | -29.9 | 174.6 | -165.1 | 177.6 | -174.1 | -176.3 | 2.4 | 113.1 | W90 L91 Q92 | W90-R94 PolarHBondContact O-N 3.1Å; W90-R94 VanDerWaalsContact O-N 3.14Å; L91-R94 PolarHBondContact O-N 3.31Å; Q92-R94 PolarHBondContact O-N 2.94Å |
| 95 | A | 57.5 | Low | 52.5 | Low | 73 Ų | 73 | 113.9 Ų | 113.9 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.7 | -39.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L91 Q92 G98 | L91-A95 PolarHBondContact O-N 3.03Å; Q92-A95 WeakPolarHBondContact O-CB 3.44Å; Q92-A95 PolarHBondContact O-N 3.49Å; A95-G98 PolarHBondContact O-N 2.68Å |
| 96 | E | 52.8 | Low | 51.6 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 60% | 0.598 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.3 | -30.4 | 177.5 | -74.9 | 170.7 | -168.8 | 0 | 0 | 113.3 | Q92 G98 | Q92-E96 PolarHBondContact NE2-OE1 3.46Å; Q92-E96 PolarHBondContact O-N 3.34Å; E96-G98 PolarHBondContact O-N 2.95Å |
| 97 | L | 50.5 | Low | 50.7 | Low | 163 Ų | 163 | 126.5 Ų | 126.5 | 85% | 0.853 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -3.8 | 177.4 | -127.4 | 74.7 | 0 | 0 | 0 | 114.2 | A93 | A93-L97 PolarHBondContact O-N 3Š|
| 98 | G | 50.3 | Low | 49.6 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -20.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | A95 E96 | A95-G98 PolarHBondContact O-N 2.68Å; E96-G98 PolarHBondContact O-N 2.95Å |
| 99 | S | 37.8 | Very low | 48.7 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 56% | 0.559 | 71% | 0.707 | S | S | * | * | trans | -174.1 | 122.4 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | D101 | S99-D101 PolarHBondContact O-N 3.4Š| ||
| 100 | P | 46.8 | Very low | 47.6 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | trans | -86.8 | 82 | 168.8 | 34.6 | -27.2 | 0 | 0 | 0 | 108.2 | ||||
| 101 | D | 41.9 | Very low | 46.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | trans | -162 | 145.6 | 158.3 | -157 | 10.3 | 0 | 0 | 0 | 110.5 | S99 | S99-D101 PolarHBondContact O-N 3.4Š| ||
| 102 | N | 35.8 | Very low | 45.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | trans | 101.6 | 86.9 | 175 | -54.7 | -79.4 | 0 | 0 | 0 | 116.9 | L104 | N102-L104 VanDerWaalsContact C-N 3.33Å; N102-L104 HydrophobicContact CB-CD1 4.37Å; N102-L104 PolarHBondContact O-N 2.8Å | ||
| 103 | D | 41.8 | Very low | 44.8 | Very low | 177 Ų | 177 | 143.4 Ų | 143.4 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | trans | -37.1 | 84.5 | 142.6 | -78 | -47.6 | 0 | 0 | 0 | 113.3 | ||||
| 104 | L | 43.6 | Very low | 44 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -127 | 22.8 | 178.4 | -118.1 | 153.3 | 0 | 0 | 0 | 112.8 | N102 | N102-L104 VanDerWaalsContact C-N 3.33Å; N102-L104 HydrophobicContact CB-CD1 4.37Å; N102-L104 PolarHBondContact O-N 2.8Å | ||
| 105 | E | 40 | Very low | 42.9 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -106.7 | 19 | -179.1 | -69.4 | -155.3 | 119.2 | 0 | 0 | 114.6 | ||
| 106 | R | 40.4 | Very low | 42.3 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -137.5 | 20.2 | -176.4 | -146.6 | -179.4 | 176.3 | 167.6 | -0.4 | 117.7 | ||
| 107 | Q | 40.2 | Very low | 41.4 | Very low | 177 Ų | 177 | 154.7 Ų | 154.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -137.9 | 22.5 | -174.7 | -142.9 | 178.2 | 14.7 | 0 | 0 | 116.6 | ||
| 108 | E | 37.7 | Very low | 41.1 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -109.9 | 0.7 | 173.6 | -67.3 | -170.7 | 150.7 | 0 | 0 | 114.2 | ||
| 109 | D | 42.2 | Very low | 40.5 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -106.3 | 12.1 | -174.1 | -116.6 | 8.9 | 0 | 0 | 0 | 115.4 | ||
| 110 | E | 38 | Very low | 40.5 | Very low | 184 Ų | 184 | 158.5 Ų | 158.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -131.5 | 35.7 | -178 | -69.3 | -171.4 | 128.5 | 0 | 0 | 114.7 | ||
| 111 | Q | 40.9 | Very low | 39.8 | Very low | 188 Ų | 188 | 155.4 Ų | 155.4 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -126.2 | 59.5 | 166.8 | -83.3 | 174.5 | 80.7 | 0 | 0 | 110.8 | ||||
| 112 | D | 41.6 | Very low | 39.2 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -143.6 | 72.4 | 159.9 | -158.3 | 23.7 | 0 | 0 | 0 | 108.4 | ||||
| 113 | A | 44.3 | Very low | 39.2 | Very low | 78 Ų | 78 | 155.5 Ų | 155.5 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | trans | -150.4 | 114.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 114 | D | 41.8 | Very low | 38.9 | Very low | 143 Ų | 143 | 156 Ų | 156 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | 60.1 | 100 | 147.8 | -56.5 | -27.1 | 0 | 0 | 0 | 119.4 | ||||
| 115 | Y | 34.8 | Very low | 38.4 | Very low | 232 Ų | 232 | 153.6 Ų | 153.6 | 91% | 0.91 | 81% | 0.812 | S | S | * | * | trans | -144.2 | 75.1 | 133.7 | -76 | -68.7 | 0 | 0 | 0 | 110.5 | ||||
| 116 | D | 44.5 | Very low | 38.2 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -88 | 106.2 | 143.5 | -175.3 | 19 | 0 | 0 | 0 | 106.9 | ||||
| 117 | H | 34.7 | Very low | 38.4 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -141.3 | 93.3 | 162.6 | -164.7 | 56.8 | 0 | 0 | 0 | 110.1 | T119 | H117-T119 PolarHBondContact CD2-OG1 3.48Å; H117-T119 WeakPolarHBondContact NE2-CG2 3.47Å; H117-T119 PolarHBondContact NE2-OG1 2.83Å; H117-T119 PolarHBondContact O-N 3.13Å | ||
| 118 | V | 44.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | trans | -53.9 | 120.6 | 151.4 | 174.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 119 | T | 37.8 | Very low | 37.7 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -141.5 | 95.5 | 151.1 | 8.9 | 0 | 0 | 0 | 0 | 109.6 | H117 | H117-T119 PolarHBondContact CD2-OG1 3.48Å; H117-T119 WeakPolarHBondContact NE2-CG2 3.47Å; H117-T119 PolarHBondContact NE2-OG1 2.83Å; H117-T119 PolarHBondContact O-N 3.13Å | ||
| 120 | D | 36.4 | Very low | 37.3 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -71.7 | 142.9 | 149.6 | 177.4 | 30.1 | 0 | 0 | 0 | 108.9 | ||||
| 121 | G | 32.4 | Very low | 37.2 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 126.8 | 106.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 122 | G | 29.4 | Very low | 36.7 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | 113.9 | 91.5 | 125.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 123 | L | 35.5 | Very low | 36.4 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | 21.4 | 116.1 | 131.2 | -76.1 | 155 | 0 | 0 | 0 | 121.4 | ||||
| 124 | Q | 35 | Very low | 35.9 | Very low | 189 Ų | 189 | 136.9 Ų | 136.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -178.9 | 106.3 | 135.4 | -115.9 | 168 | 78.2 | 0 | 0 | 108 | ||||
| 125 | A | 33.7 | Very low | 35.4 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | 53.7 | 101.8 | 73.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 126 | D | 36 | Very low | 35.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | 173.2 | 178.9 | 103.5 | -148.6 | 27.7 | 0 | 0 | 0 | 110.5 | |||||
| 127 | P | 44.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | -129.3 | -175.7 | -105.8 | 42.5 | -22.6 | 0 | 0 | 0 | 112.6 | |||||
| 128 | G | 29.8 | Very low | 34.6 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | 145.8 | 88.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 129 | E | 34.8 | Very low | 34.1 | Very low | 204 Ų | 204 | 127 Ų | 127 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | 69.3 | 99.6 | 133 | -58.5 | 172.4 | 174.3 | 0 | 0 | 118.8 | ||||
| 130 | G | 33.8 | Very low | 34.4 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -163 | 69.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 131 | E | 34.6 | Very low | 34.3 | Very low | 178 Ų | 178 | 128 Ų | 128 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -55 | 124.2 | 171.6 | -81.1 | 174.9 | 77 | 0 | 0 | 112.8 | ||||
| 132 | Q | 31.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | 161 | 119.6 | 110.4 | -97 | 169 | 32.6 | 0 | 0 | 113.1 | |||||
| 133 | L | 35.8 | Very low | 34.4 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 60.4 | 113.2 | 131.7 | -58.4 | 164.4 | 0 | 0 | 0 | 118.2 | ||||
| 134 | C | 32.5 | Very low | 35.3 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | 166.5 | 133.1 | 90.8 | -148.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 135 | G | 31.4 | Very low | 35.1 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 103.5 | 96.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 136 | E | 30.8 | Very low | 35.2 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | 75 | 97.7 | 137 | -129.8 | 76.7 | 142 | 0 | 0 | 121 | ||||
| 137 | A | 33.2 | Very low | 35.1 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -70.7 | 144.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 138 | S | 33.8 | Very low | 34.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | 177.4 | 115.8 | 122.2 | 38.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 139 | S | 33.4 | Very low | 35.2 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -94.2 | 154.6 | 145.8 | -167.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 140 | P | 44 | Very low | 35.5 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -145.4 | 144.3 | 93.8 | 33.3 | -14.5 | 0 | 0 | 0 | 115.9 | |||||
| 141 | E | 34.8 | Very low | 35.7 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -26.4 | 137.9 | 148.4 | -162.8 | 171.2 | 119.7 | 0 | 0 | 117 | ||||
| 142 | Q | 29.5 | Very low | 35.6 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -160.6 | 128.4 | 147.5 | -110.5 | 168.5 | 94 | 0 | 0 | 111.6 | ||||
| 143 | V | 35.4 | Very low | 35.9 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | trans | -134.4 | 165.3 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 144 | P | 52.4 | Low | 36 | Very low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | cis | -120.9 | -172 | -41 | 35.4 | -18.3 | 0 | 0 | 0 | 111.4 | ||||
| 145 | V | 31.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -177.3 | 138.2 | 135.1 | 153.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 146 | R | 35.6 | Very low | 37.2 | Very low | 226 Ų | 226 | 148.4 Ų | 148.4 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -57.7 | 153.5 | 176.2 | -111.1 | 176.6 | 172 | 132.8 | -5.2 | 115.8 | ||||
| 147 | A | 34 | Very low | 37.4 | Very low | 99 Ų | 99 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -159.9 | 120.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 148 | E | 38.7 | Very low | 37.5 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -76.5 | 143.8 | 165 | -70.1 | 177.2 | 122.5 | 0 | 0 | 109.9 | ||||
| 149 | E | 38.3 | Very low | 38.3 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -136 | 101.2 | 156.3 | -76.6 | -176.7 | 171.7 | 0 | 0 | 109.8 | ||||
| 150 | A | 39.6 | Very low | 38.5 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 138.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | R | 38 | Very low | 38.9 | Very low | 229 Ų | 229 | 152.4 Ų | 152.4 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -128.6 | 105.8 | 160.3 | -106.5 | -174 | 177.8 | 101.2 | 0 | 109.5 | ||||
| 152 | D | 34.1 | Very low | 39.1 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -79.2 | 143 | 164.8 | -161.7 | 4.5 | 0 | 0 | 0 | 109 | ||||
| 153 | S | 36.3 | Very low | 39.8 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -146.2 | 91.3 | 165.9 | 66.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 154 | D | 37.7 | Very low | 40.4 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 66% | 0.658 | 82% | 0.816 | S | S | * | * | trans | -58.4 | 134 | 164.7 | -78.3 | -40.2 | 0 | 0 | 0 | 111.9 | ||||
| 155 | M | 42.4 | Very low | 39.8 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | trans | -135.3 | 97.9 | 154.6 | -92.1 | -93.8 | -177.7 | 0 | 0 | 106.6 | ||||
| 156 | E | 47.3 | Very low | 41.4 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -68.1 | 139.7 | 168.6 | -80.4 | 156.1 | 116.8 | 0 | 0 | 111.1 | ||||
| 157 | G | 36.1 | Very low | 41.8 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 169.6 | 93.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 158 | D | 35.4 | Very low | 42.2 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 108.9 | 127.8 | 144.2 | -150.7 | 28.2 | 0 | 0 | 0 | 118.3 | ||||
| 159 | L | 48.8 | Very low | 43.1 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -89.4 | 116.9 | -168.3 | -71.2 | 158.6 | 0 | 0 | 0 | 110.5 | ||||
| 160 | V | 37.7 | Very low | 43.4 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -145.4 | 118.9 | 150.4 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | G162 | V160-G162 PolarHBondContact O-N 2.89Š| ||
| 161 | L | 54.1 | Low | 44.4 | Very low | 180 Ų | 180 | 127 Ų | 127 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | trans | -56.2 | 121.4 | 164.3 | -72.7 | 153.6 | 0 | 0 | 0 | 110.7 | ||||
| 162 | G | 37.7 | Very low | 45.1 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -171 | 110.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V160 | V160-G162 PolarHBondContact O-N 2.89Š| ||
| 163 | S | 44.5 | Very low | 46.1 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -46.8 | 155.6 | 173.2 | -119.6 | 0 | 0 | 0 | 0 | 113.4 | G165 | S163-G165 PolarHBondContact O-N 3.33Š| ||
| 164 | P | 48.4 | Very low | 47 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -65 | 111 | -165.8 | 27.4 | -32.7 | 0 | 0 | 0 | 112 | ||||
| 165 | G | 39 | Very low | 48 | Very low | 65 Ų | 65 | 114.7 Ų | 114.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | 53.5 | 107.4 | 105.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | S163 | S163-G165 PolarHBondContact O-N 3.33Š| |||
| 166 | P | 65.7 | Low | 48.6 | Very low | 132 Ų | 132 | 111.8 Ų | 111.8 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -81.2 | 125.8 | 150.6 | 32.4 | -24.8 | 0 | 0 | 0 | 109.3 | ||||
| 167 | A | 44 | Very low | 49 | Very low | 96 Ų | 96 | 108.8 Ų | 108.8 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -165.9 | 119.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 168 | S | 42 | Very low | 49.9 | Very low | 114 Ų | 114 | 109.6 Ų | 109.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | 63.4 | 107.8 | 126.6 | -164.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 169 | A | 59 | Low | 50.9 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | 48.6 | 90.9 | 133.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 170 | G | 44.8 | Very low | 51.3 | Low | 66 Ų | 66 | 106.1 Ų | 106.1 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | -138.2 | 110.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S172 | G170-S172 PolarHBondContact O-N 3.49Š| ||
| 171 | G | 59.4 | Low | 52.1 | Low | 91 Ų | 91 | 107.4 Ų | 107.4 | 94% | 0.938 | 72% | 0.723 | S | S | * | * | trans | -62.1 | 118.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 172 | S | 52.7 | Low | 52.4 | Low | 61 Ų | 61 | 102.7 Ų | 102.7 | 43% | 0.427 | 71% | 0.709 | S | S | . | * | trans | -136.4 | 106.1 | -169.1 | -116.8 | 0 | 0 | 0 | 0 | 108.9 | G170 E174 A175 | G170-S172 PolarHBondContact O-N 3.49Å; S172-E174 VanDerWaalsContact CB-CG 3.5Å; S172-E174 WeakPolarHBondContact CB-OE1 3.48Å; S172-E174 PolarHBondContact O-N 3.46Å; S172-E174 PolarHBondContact OG-OE1 2.85Å; S172-A175 PolarHBondContact O-N 2.98Å | ||
| 173 | A | 55.5 | Low | 53.3 | Low | 78 Ų | 78 | 108.6 Ų | 108.6 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -11.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A175 L176 | A173-A175 VanDerWaalsContact C-N 3.32Å; A173-A175 PolarHBondContact O-N 3.28Å; A173-L176 PolarHBondContact O-N 3.42Å |
| 174 | E | 55 | Low | 54 | Low | 133 Ų | 133 | 106.9 Ų | 106.9 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -63.3 | -28.7 | 170.3 | 51.1 | -171.8 | 157.2 | 0 | 0 | 113.9 | S172 L176 L177 S178 | S172-E174 VanDerWaalsContact CB-CG 3.5Å; S172-E174 WeakPolarHBondContact CB-OE1 3.48Å; S172-E174 PolarHBondContact O-N 3.46Å; S172-E174 PolarHBondContact OG-OE1 2.85Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-L176 PolarHBondContact O-N 3.07Å; E174-L177 PolarHBondContact O-N 3.38Å; E174-S178 PolarHBondContact O-N 3.22Å; E174-S178 VanDerWaalsContact O-N 3.08Å |
| 175 | A | 58.3 | Low | 54.6 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67.8 | -32.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S172 A173 L177 D179 | S172-A175 PolarHBondContact O-N 2.98Å; A173-A175 VanDerWaalsContact C-N 3.32Å; A173-A175 PolarHBondContact O-N 3.28Å; A175-L177 VanDerWaalsContact C-N 3.35Å; A175-D179 PolarHBondContact O-N 3.1Å |
| 176 | L | 55.6 | Low | 55.3 | Low | 133 Ų | 133 | 106.6 Ų | 106.6 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -75.3 | -24.4 | 176.3 | -64.9 | 175.5 | 0 | 0 | 0 | 112.7 | A173 E174 L180 | A173-L176 PolarHBondContact O-N 3.42Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-L176 PolarHBondContact O-N 3.07Å; L176-L180 WeakPolarHBondContact O-CD1 3.49Å |
| 177 | L | 54.9 | Low | 55.2 | Low | 120 Ų | 120 | 104.1 Ų | 104.1 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -82.8 | -30 | 175.7 | -64.9 | 176.3 | 0 | 0 | 0 | 112.1 | E174 A175 D179 L180 | E174-L177 PolarHBondContact O-N 3.38Å; A175-L177 VanDerWaalsContact C-N 3.35Å; L177-D179 VanDerWaalsContact C-N 3.27Å; L177-D179 PolarHBondContact O-N 3.38Å; L177-L180 PolarHBondContact O-N 3.38Å |
| 178 | S | 55.4 | Low | 56.3 | Low | 91 Ų | 91 | 104 Ų | 104 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -63.1 | -34 | 170.6 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | E174 | E174-S178 PolarHBondContact O-N 3.22Å; E174-S178 VanDerWaalsContact O-N 3.08Å |
| 179 | D | 56.6 | Low | 56.9 | Low | 120 Ų | 120 | 110 Ų | 110 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -13.8 | 179.8 | -114.9 | 9.8 | 0 | 0 | 0 | 113.6 | A175 L177 H181 A182 | A175-D179 PolarHBondContact O-N 3.1Å; L177-D179 VanDerWaalsContact C-N 3.27Å; L177-D179 PolarHBondContact O-N 3.38Å; D179-H181 VanDerWaalsContact C-N 3.31Å; D179-H181 PolarHBondContact O-N 3.4Å; D179-A182 PolarHBondContact O-N 3.03Å |
| 180 | L | 56 | Low | 56.5 | Low | 126 Ų | 126 | 111.5 Ų | 111.5 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -72.3 | -24.9 | 175.2 | -116.9 | 90.2 | 0 | 0 | 0 | 112.9 | L176 L177 A182 F183 | L176-L180 WeakPolarHBondContact O-CD1 3.49Å; L177-L180 PolarHBondContact O-N 3.38Å; L180-A182 PolarHBondContact O-N 3.14Å; L180-F183 PolarHBondContact O-N 3.08Å |
| 181 | H | 56.1 | Low | 57.2 | Low | 165 Ų | 165 | 114.9 Ų | 114.9 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -71.8 | -19.4 | 173.5 | -102.4 | -66.5 | 0 | 0 | 0 | 112.8 | D179 F183 | D179-H181 VanDerWaalsContact C-N 3.31Å; D179-H181 PolarHBondContact O-N 3.4Å; H181-F183 VanDerWaalsContact C-N 3.31Å |
| 182 | A | 59.4 | Low | 56.9 | Low | 80 Ų | 80 | 114.9 Ų | 114.9 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -79.3 | -12.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D179 L180 | D179-A182 PolarHBondContact O-N 3.03Å; L180-A182 PolarHBondContact O-N 3.14Å |
| 183 | F | 56.5 | Low | 57.1 | Low | 195 Ų | 195 | 115.9 Ų | 115.9 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -104.5 | 18 | 178.4 | -118.6 | -83.9 | 0 | 0 | 0 | 114 | L180 H181 G185 | L180-F183 PolarHBondContact O-N 3.08Å; H181-F183 VanDerWaalsContact C-N 3.31Å; F183-G185 PolarHBondContact O-N 2.98Å |
| 184 | A | 60 | Low | 57 | Low | 82 Ų | 82 | 123.2 Ų | 123.2 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | -80.8 | 56.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110 | S186 | A184-S186 PolarHBondContact O-N 3.32Š| ||
| 185 | G | 60 | Low | 57 | Low | 62 Ų | 62 | 121.7 Ų | 121.7 | 64% | 0.639 | 72% | 0.719 | S | S | * | * | trans | -62.6 | 120.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | F183 A187 | F183-G185 PolarHBondContact O-N 2.98Å; G185-A187 PolarHBondContact O-N 3.14Å | ||
| 186 | S | 55.1 | Low | 56.6 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -54.3 | 102.6 | 169.8 | -76.4 | 0 | 0 | 0 | 0 | 109.3 | A184 A188 | A184-S186 PolarHBondContact O-N 3.32Å; S186-A188 PolarHBondContact O-N 3.31Å | ||
| 187 | A | 62.4 | Low | 56.5 | Low | 80 Ų | 80 | 121.5 Ų | 121.5 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | -69.9 | 89.6 | 165 | 0 | 0 | 0 | 0 | 0 | 107.5 | G185 W189 | G185-A187 PolarHBondContact O-N 3.14Å; A187-W189 PolarHBondContact O-N 2.98Å | ||
| 188 | A | 67.1 | Low | 56.2 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -70.7 | 109.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | S186 D190 | S186-A188 PolarHBondContact O-N 3.31Å; A188-D190 PolarHBondContact O-N 3.18Å | ||
| 189 | W | 56.1 | Low | 55.8 | Low | 239 Ų | 239 | 123.4 Ų | 123.4 | 91% | 0.905 | 76% | 0.76 | S | S | * | * | trans | -69.4 | 103.1 | 166.9 | -67.1 | 67 | 0 | 0 | 0 | 105.7 | A187 D191 | A187-W189 PolarHBondContact O-N 2.98Å; W189-D191 VanDerWaalsContact C-N 3.31Å; W189-D191 PolarHBondContact O-N 2.94Å | ||
| 190 | D | 49.8 | Very low | 55.7 | Low | 134 Ų | 134 | 121.2 Ų | 121.2 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | trans | -63 | 96.1 | 169.1 | -175.7 | 40.6 | 0 | 0 | 0 | 107.4 | A188 S192 | A188-D190 PolarHBondContact O-N 3.18Å; D190-S192 VanDerWaalsContact CG-OG 3.23Å; D190-S192 PolarHBondContact O-N 3.01Å; D190-S192 PolarHBondContact OD1-OG 3.25Å; D190-S192 WeakPolarHBondContact OD2-CB 3.41Å; D190-S192 PolarHBondContact OD2-OG 3.2Å | ||
| 191 | D | 59.1 | Low | 55.7 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 64 | 169.4 | -167.9 | 13.4 | 0 | 0 | 0 | 108.7 | W189 A193 | W189-D191 VanDerWaalsContact C-N 3.31Å; W189-D191 PolarHBondContact O-N 2.94Å; D191-A193 PolarHBondContact O-N 3.06Å; D191-A193 VanDerWaalsContact OD1-CB 3.29Å; D191-A193 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 192 | S | 53.7 | Low | 55.5 | Low | 91 Ų | 91 | 123.6 Ų | 123.6 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -76 | 47.6 | 165 | -77.4 | 0 | 0 | 0 | 0 | 110.2 | D190 R194 | D190-S192 VanDerWaalsContact CG-OG 3.23Å; D190-S192 PolarHBondContact O-N 3.01Å; D190-S192 PolarHBondContact OD1-OG 3.25Å; D190-S192 WeakPolarHBondContact OD2-CB 3.41Å; D190-S192 PolarHBondContact OD2-OG 3.2Å; S192-R194 PolarHBondContact O-N 3.39Å | ||
| 193 | A | 56.3 | Low | 55.3 | Low | 82 Ų | 82 | 125.3 Ų | 125.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -91.1 | 46.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | D191 | D191-A193 PolarHBondContact O-N 3.06Å; D191-A193 VanDerWaalsContact OD1-CB 3.29Å; D191-A193 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 194 | R | 54.7 | Low | 55.6 | Low | 232 Ų | 232 | 122.9 Ų | 122.9 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -154.6 | 110.7 | 160.9 | -152.3 | 166.2 | 179.7 | 153.5 | -1.5 | 112.5 | S192 | S192-R194 PolarHBondContact O-N 3.39Š|
| 195 | A | 53.3 | Low | 55.3 | Low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 71.6 | 67.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 196 | A | 51.3 | Low | 54.6 | Low | 114 Ų | 114 | 132.5 Ų | 132.5 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | trans | -119.9 | 80.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 197 | G | 53.6 | Low | 54.6 | Low | 84 Ų | 84 | 133 Ų | 133 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -169.4 | 56.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 198 | G | 47.6 | Very low | 54.2 | Low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | -171.4 | 79.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 199 | Q | 48.1 | Very low | 53.5 | Low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -39.1 | 134.4 | 176 | -102.1 | 121.8 | -22.9 | 0 | 0 | 113.5 | L201 | Q199-L201 PolarHBondContact O-N 3.2Å; Q199-L201 VanDerWaalsContact O-N 3.15Å | ||
| 200 | G | 53.8 | Low | 53.3 | Low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -55.7 | 115.1 | 157 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 201 | L | 56.1 | Low | 53.6 | Low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | trans | -113.6 | 78.4 | 167 | -81 | 160.6 | 0 | 0 | 0 | 107.6 | Q199 V203 | Q199-L201 PolarHBondContact O-N 3.2Å; Q199-L201 VanDerWaalsContact O-N 3.15Å; L201-V203 HydrophobicContact CD2-CG2 4.46Å | ||
| 202 | H | 50.6 | Low | 53.2 | Low | 193 Ų | 193 | 131.7 Ų | 131.7 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | trans | -87.9 | 96.5 | 154.2 | -78.8 | -88.6 | 0 | 0 | 0 | 107.1 | ||||
| 203 | V | 56.8 | Low | 53.2 | Low | 117 Ų | 117 | 134.6 Ų | 134.6 | 71% | 0.709 | 85% | 0.85 | S | S | * | * | trans | -120.7 | 98.9 | 163.2 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | L201 | L201-V203 HydrophobicContact CD2-CG2 4.46Š| ||
| 204 | T | 61.5 | Low | 52.9 | Low | 144 Ų | 144 | 138.7 Ų | 138.7 | 88% | 0.883 | 86% | 0.863 | S | S | * | * | trans | -64.5 | 127.4 | 153.4 | 32.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 205 | A | 54 | Low | 52.8 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 77% | 0.769 | 86% | 0.862 | S | S | * | * | trans | -138.9 | 136 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 206 | L | 46.4 | Very low | 52.7 | Low | 252 Ų | 252 | 133.6 Ų | 133.6 | 100% | 1.319 | 87% | 0.865 | S | S | * | * | trans | -62 | 0 | 178.7 | -79.3 | 132.1 | 0 | 0 | 0 | 113.2 |
Retrieved 206 of 206 residues in 49.8 ms
(Link to these results)