| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.5 | Low | 58.9 | Low | 217 Ų | 217 | 127.4 Ų | 127.4 | 100% | 1.069 | 70% | 0.695 | S | S | * | * | 0 | 13.3 | 0 | -138.3 | 174.3 | -75.5 | 0 | 0 | 112.2 | |||||
| 2 | V | 57 | Low | 59.1 | Low | 95 Ų | 95 | 130.2 Ų | 130.2 | 58% | 0.576 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -23.7 | -169.8 | 178.7 | 0 | 0 | 0 | 0 | 113.2 | I4 | V2-I4 VanDerWaalsContact C-N 3.34Å; V2-I4 PolarHBondContact O-N 2.96Å |
| 3 | N | 61.1 | Low | 58.8 | Low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -16.2 | -176.5 | -79 | 0.1 | 0 | 0 | 0 | 115.3 | ||
| 4 | I | 61.4 | Low | 58.9 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 59% | 0.585 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -29.6 | -179.3 | -59.7 | 171 | 0 | 0 | 0 | 111 | V2 K6 E7 L8 | V2-I4 VanDerWaalsContact C-N 3.34Å; V2-I4 PolarHBondContact O-N 2.96Å; I4-K6 PolarHBondContact O-N 3.47Å; I4-E7 PolarHBondContact O-N 3.03Å; I4-L8 HydrophobicContact CG2-CD1 4.42Å |
| 5 | A | 58.3 | Low | 58.9 | Low | 56 Ų | 56 | 129.9 Ų | 129.9 | 46% | 0.463 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -71.9 | -28.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E7 L8 | A5-E7 VanDerWaalsContact C-N 3.28Å; A5-E7 PolarHBondContact O-N 3.42Å; A5-L8 PolarHBondContact O-N 2.75Å |
| 6 | K | 59.2 | Low | 58.8 | Low | 197 Ų | 197 | 129.9 Ų | 129.9 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -72.6 | -21.6 | 179.2 | -153.7 | 172 | -174 | 173.4 | 0 | 113.2 | I4 | I4-K6 PolarHBondContact O-N 3.47Š|
| 7 | E | 60 | Low | 58.8 | Low | 173 Ų | 173 | 128.4 Ų | 128.4 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -85.9 | -13.3 | 177.6 | -156.9 | 172.6 | -175.8 | 0 | 0 | 112.4 | I4 A5 | I4-E7 PolarHBondContact O-N 3.03Å; A5-E7 VanDerWaalsContact C-N 3.28Å; A5-E7 PolarHBondContact O-N 3.42Å |
| 8 | L | 63 | Low | 58.5 | Low | 141 Ų | 141 | 130.1 Ų | 130.1 | 74% | 0.738 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 18.3 | -176.4 | -68.7 | 177.9 | 0 | 0 | 0 | 114.6 | I4 A5 G10 | I4-L8 HydrophobicContact CG2-CD1 4.42Å; A5-L8 PolarHBondContact O-N 2.75Å; L8-G10 PolarHBondContact O-N 2.95Å |
| 9 | G | 61.3 | Low | 58.3 | Low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.4 | 25.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E11 | G9-E11 PolarHBondContact O-N 3.04Š|
| 10 | G | 55.6 | Low | 58.1 | Low | 30 Ų | 30 | 131.1 Ų | 131.1 | 31% | 0.309 | 70% | 0.702 | S | S | . | * | trans | -78.8 | 62.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L8 D12 | L8-G10 PolarHBondContact O-N 2.95Å; G10-D12 PolarHBondContact O-N 2.91Å | ||
| 11 | E | 59.2 | Low | 58.1 | Low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -67.2 | -18.4 | 175.3 | -155.2 | 103.7 | -154.9 | 0 | 0 | 111.9 | G9 F13 S14 | G9-E11 PolarHBondContact O-N 3.04Å; E11-F13 PolarHBondContact O-N 2.87Å; E11-S14 PolarHBondContact O-OG 3.15Å |
| 12 | D | 61.5 | Low | 58.3 | Low | 161 Ų | 161 | 128.9 Ų | 128.9 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -87.1 | 3.5 | -177.7 | -88.2 | -6.4 | 0 | 0 | 0 | 115.2 | G10 | G10-D12 PolarHBondContact O-N 2.91Š|
| 13 | F | 55.5 | Low | 58.3 | Low | 139 Ų | 139 | 132.8 Ų | 132.8 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -98.9 | 15.3 | 175.9 | -62.9 | -73.7 | 0 | 0 | 0 | 113.7 | E11 D15 I16 | E11-F13 PolarHBondContact O-N 2.87Å; F13-D15 PolarHBondContact O-N 3.45Å; F13-D15 VanDerWaalsContact O-N 3.16Å; F13-I16 HydrophobicContact CD1-CD1 4.22Å; F13-I16 PolarHBondContact O-N 3.18Å |
| 14 | S | 59.7 | Low | 58 | Low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -18.4 | -175.6 | -58.7 | 0 | 0 | 0 | 0 | 114.5 | E11 | E11-S14 PolarHBondContact O-OG 3.15Š|
| 15 | D | 59.7 | Low | 57.7 | Low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -2.6 | 179.8 | -71.5 | -21.4 | 0 | 0 | 0 | 113.9 | F13 V17 | F13-D15 PolarHBondContact O-N 3.45Å; F13-D15 VanDerWaalsContact O-N 3.16Å; D15-V17 PolarHBondContact O-N 3.29Å |
| 16 | I | 56.9 | Low | 57.5 | Low | 131 Ų | 131 | 141.1 Ų | 141.1 | 67% | 0.672 | 73% | 0.728 | S | S | * | * | trans | -79.8 | 82.6 | 167.4 | -70 | 178.5 | 0 | 0 | 0 | 107.3 | F13 E18 | F13-I16 HydrophobicContact CD1-CD1 4.22Å; F13-I16 PolarHBondContact O-N 3.18Å; I16-E18 PolarHBondContact O-N 3.36Å | ||
| 17 | V | 58.1 | Low | 57.1 | Low | 104 Ų | 104 | 139 Ų | 139 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -58.2 | 125.9 | 164.7 | -72.5 | 0 | 0 | 0 | 0 | 108.6 | D15 E19 | D15-V17 PolarHBondContact O-N 3.29Å; V17-E19 PolarHBondContact O-N 2.96Å | ||
| 18 | E | 54.5 | Low | 56.7 | Low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 26.2 | 179.4 | -160.6 | -178.9 | 171.6 | 0 | 0 | 113.1 | I16 | I16-E18 PolarHBondContact O-N 3.36Š|
| 19 | E | 54.1 | Low | 56 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | -9.5 | -171.2 | -164.4 | 106.7 | -119.7 | 0 | 0 | 113 | V17 R22 | V17-E19 PolarHBondContact O-N 2.96Å; E19-R22 IonicContact OE1-CZ 3.94Å; E19-R22 IonicContact OE1-NH1 2.98Å; E19-R22 IonicContact OE1-NH2 3.68Å; E19-R22 PolarHBondContact OE1-NH2 3.1Å |
| 20 | D | 54 | Low | 55.5 | Low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -108.2 | 24.3 | -173 | -155.5 | 30.8 | 0 | 0 | 0 | 115.2 | ||
| 21 | T | 57.7 | Low | 55.3 | Low | 125 Ų | 125 | 145 Ų | 145 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -126 | 5.2 | 175.7 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 22 | R | 57.7 | Low | 55 | Low | 177 Ų | 177 | 144 Ų | 144 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -95.5 | -7.5 | -175.2 | -166.1 | 168.7 | 60.8 | -116.2 | -3.3 | 114.6 | E19 | E19-R22 IonicContact OE1-CZ 3.94Å; E19-R22 IonicContact OE1-NH1 2.98Å; E19-R22 IonicContact OE1-NH2 3.68Å; E19-R22 PolarHBondContact OE1-NH2 3.1Å |
| 23 | E | 55.3 | Low | 54.7 | Low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -113.2 | 10.9 | -170.1 | -156.3 | 168 | 178.5 | 0 | 0 | 115.9 | ||
| 24 | H | 55.1 | Low | 55.3 | Low | 179 Ų | 179 | 140 Ų | 140 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -134.4 | 25.1 | -175.2 | -83.7 | -55.3 | 0 | 0 | 0 | 117.6 | ||
| 25 | T | 54.6 | Low | 56 | Low | 117 Ų | 117 | 140.8 Ų | 140.8 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -113.8 | 1.3 | 173.7 | 56 | 0 | 0 | 0 | 0 | 115.2 | ||
| 26 | E | 55.4 | Low | 56.8 | Low | 196 Ų | 196 | 138.7 Ų | 138.7 | 92% | 0.916 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -93.2 | -4.4 | -176.8 | -130.3 | 160.3 | -155.1 | 0 | 0 | 114.3 | ||
| 27 | D | 50.7 | Low | 57.6 | Low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -106.9 | 43.6 | 178.2 | -160.7 | 26.8 | 0 | 0 | 0 | 113.3 | ||||
| 28 | C | 52.1 | Low | 58.5 | Low | 122 Ų | 122 | 137.6 Ų | 137.6 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | trans | -111.3 | 36.7 | 158.4 | -81.4 | 0 | 0 | 0 | 0 | 109.7 | E30 | C28-E30 VanDerWaalsContact C-N 3.31Š| ||
| 29 | G | 48.6 | Very low | 59.7 | Low | 58 Ų | 58 | 136.9 Ų | 136.9 | 60% | 0.598 | 69% | 0.69 | S | S | * | * | trans | -91.9 | 26.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q31 | G29-Q31 PolarHBondContact O-N 2.96Š| ||
| 30 | E | 48.8 | Very low | 60.7 | Low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | trans | -62.4 | 96.1 | 158.2 | -113.6 | 174.3 | -176 | 0 | 0 | 106.1 | C28 F32 | C28-E30 VanDerWaalsContact C-N 3.31Å; E30-F32 VanDerWaalsContact C-N 3.28Å; E30-F32 PolarHBondContact O-N 3.33Å | ||
| 31 | Q | 52.6 | Low | 61.7 | Low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -50.9 | 105.3 | 162.5 | -79.5 | 177 | -7.5 | 0 | 0 | 104.8 | G29 I33 | G29-Q31 PolarHBondContact O-N 2.96Å; Q31-I33 WeakPolarHBondContact O-CG1 3.3Å; Q31-I33 PolarHBondContact O-N 3.22Å | ||
| 32 | F | 52.8 | Low | 62.3 | Low | 145 Ų | 145 | 137 Ų | 137 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -52.6 | 98.1 | 155.9 | -108.2 | -88.1 | 0 | 0 | 0 | 104.6 | E30 N34 | E30-F32 VanDerWaalsContact C-N 3.28Å; E30-F32 PolarHBondContact O-N 3.33Å; F32-N34 PolarHBondContact O-N 3.35Å; F32-N34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | I | 55.7 | Low | 62 | Low | 97 Ų | 97 | 133.1 Ų | 133.1 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | trans | -60.8 | 121.7 | 177.5 | -56.7 | 179 | 0 | 0 | 0 | 102.9 | Q31 E35 E36 | Q31-I33 WeakPolarHBondContact O-CG1 3.3Å; Q31-I33 PolarHBondContact O-N 3.22Å; I33-E35 HydrophobicContact CG2-CB 3.98Å; I33-E35 HydrophobicContact CG2-CG 3.93Å; I33-E35 PolarHBondContact O-N 3.16Å; I33-E36 PolarHBondContact O-N 3.01Å | ||
| 34 | N | 68.6 | Low | 61.9 | Low | 117 Ų | 117 | 130.3 Ų | 130.3 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -38.7 | -32.2 | 176.5 | 53.3 | -8.9 | 0 | 0 | 0 | 113.5 | F32 L37 E38 | F32-N34 PolarHBondContact O-N 3.35Å; F32-N34 VanDerWaalsContact O-N 3.1Å; N34-L37 PolarHBondContact O-N 2.99Å; N34-E38 WeakPolarHBondContact O-CB 3.26Å; N34-E38 PolarHBondContact O-N 3.47Å |
| 35 | E | 74.3 | Confident | 61.9 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 52% | 0.523 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -57.2 | -41.9 | 173 | -63.7 | -176.1 | -171 | 0 | 0 | 115.3 | I33 K39 | I33-E35 HydrophobicContact CG2-CB 3.98Å; I33-E35 HydrophobicContact CG2-CG 3.93Å; I33-E35 PolarHBondContact O-N 3.16Å; E35-K39 VanDerWaalsContact O-CG 3.27Å; E35-K39 WeakPolarHBondContact O-CG 3.27Å; E35-K39 PolarHBondContact O-N 3.42Å |
| 36 | E | 75.7 | Confident | 61.6 | Low | 109 Ų | 109 | 129.4 Ų | 129.4 | 51% | 0.509 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -71.2 | -40.4 | 179.3 | -172.2 | 176 | -177.4 | 0 | 0 | 111 | I33 K39 L40 | I33-E36 PolarHBondContact O-N 3.01Å; E36-K39 PolarHBondContact O-N 3.26Å; E36-L40 WeakPolarHBondContact O-CG 3.36Å; E36-L40 PolarHBondContact O-N 3.45Å; E36-L40 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 74.3 | Confident | 61.2 | Low | 93 Ų | 93 | 130.3 Ų | 130.3 | 49% | 0.487 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -62.4 | -44.2 | 174.3 | -176.8 | 64.2 | 0 | 0 | 0 | 111.1 | N34 K39 L40 M41 | N34-L37 PolarHBondContact O-N 2.99Å; L37-K39 PolarHBondContact O-N 2.91Å; L37-L40 PolarHBondContact O-N 3.16Å; L37-M41 HydrophobicContact CG-SD 4.42Å; L37-M41 WeakPolarHBondContact O-CG 3.17Å; L37-M41 PolarHBondContact O-N 3.04Å |
| 38 | E | 76.3 | Confident | 61.4 | Low | 119 Ų | 119 | 130.2 Ų | 130.2 | 56% | 0.556 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61.8 | -43.8 | 176.7 | -173.2 | 173.6 | -173.6 | 0 | 0 | 111.3 | N34 L40 M41 Q42 | N34-E38 WeakPolarHBondContact O-CB 3.26Å; N34-E38 PolarHBondContact O-N 3.47Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 2.96Å; E38-M41 PolarHBondContact O-N 3.46Å; E38-M41 VanDerWaalsContact O-N 3.14Å; E38-Q42 VanDerWaalsContact O-CG 3.25Å; E38-Q42 WeakPolarHBondContact O-CG 3.37Å; E38-Q42 PolarHBondContact O-N 3.19Å |
| 39 | K | 79 | Confident | 61.5 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 63% | 0.626 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.9 | -41.6 | 176 | -75.7 | 167.7 | -173.9 | 166.3 | 0 | 112.5 | E35 E36 L37 M41 Q42 | E35-K39 VanDerWaalsContact O-CG 3.27Å; E35-K39 WeakPolarHBondContact O-CG 3.27Å; E35-K39 PolarHBondContact O-N 3.42Å; E36-K39 PolarHBondContact O-N 3.26Å; L37-K39 PolarHBondContact O-N 2.91Å; K39-M41 VanDerWaalsContact C-N 3.34Å; K39-Q42 PolarHBondContact O-N 3.46Å |
| 40 | L | 74.8 | Confident | 62 | Low | 116 Ų | 116 | 134.4 Ų | 134.4 | 61% | 0.607 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66 | -36 | 176.5 | -72.3 | 171.6 | 0 | 0 | 0 | 112.4 | E36 L37 E38 Q42 | E36-L40 WeakPolarHBondContact O-CG 3.36Å; E36-L40 PolarHBondContact O-N 3.45Å; E36-L40 VanDerWaalsContact O-N 3.07Å; L37-L40 PolarHBondContact O-N 3.16Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 2.96Å; L40-Q42 PolarHBondContact O-N 3.11Å |
| 41 | M | 76.4 | Confident | 62.4 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.7 | -16.2 | 177.2 | -69.8 | -178.9 | 68.6 | 0 | 0 | 113.8 | L37 E38 K39 | L37-M41 HydrophobicContact CG-SD 4.42Å; L37-M41 WeakPolarHBondContact O-CG 3.17Å; L37-M41 PolarHBondContact O-N 3.04Å; E38-M41 PolarHBondContact O-N 3.46Å; E38-M41 VanDerWaalsContact O-N 3.14Å; K39-M41 VanDerWaalsContact C-N 3.34Å |
| 42 | Q | 69.4 | Low | 62.5 | Low | 145 Ų | 145 | 131.9 Ų | 131.9 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -4.4 | -176.8 | -63.5 | -70.9 | -12.4 | 0 | 0 | 114.3 | E38 K39 L40 | E38-Q42 VanDerWaalsContact O-CG 3.25Å; E38-Q42 WeakPolarHBondContact O-CG 3.37Å; E38-Q42 PolarHBondContact O-N 3.19Å; K39-Q42 PolarHBondContact O-N 3.46Å; L40-Q42 PolarHBondContact O-N 3.11Å |
| 43 | S | 52.5 | Low | 62.2 | Low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -84.8 | 146.2 | 179.1 | -146.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 44 | P | 52.2 | Low | 62.2 | Low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | -88 | 125.4 | -107.3 | 2.3 | 17.5 | 0 | 0 | 0 | 112.7 | G46 | P44-G46 PolarHBondContact O-N 3.47Š| |||
| 45 | K | 54.8 | Low | 61.6 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 90% | 0.896 | 69% | 0.694 | S | S | * | * | trans | -68.7 | 105 | 151.1 | -125.7 | 168.9 | -175.2 | 171.1 | 0 | 106.9 | R47 | K45-R47 PolarHBondContact O-N 3.39Š| ||
| 46 | G | 48.6 | Very low | 60.6 | Low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | -50.1 | 112.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | P44 D48 | P44-G46 PolarHBondContact O-N 3.47Å; G46-D48 PolarHBondContact O-N 2.94Å | ||
| 47 | R | 46.8 | Very low | 59 | Low | 215 Ų | 215 | 135.9 Ų | 135.9 | 81% | 0.811 | 72% | 0.719 | S | S | * | * | trans | -66.7 | 113.1 | -179.2 | -172.6 | -178.8 | -173.9 | 176.5 | 4.7 | 108.2 | K45 D49 | K45-R47 PolarHBondContact O-N 3.39Å; R47-D49 IonicContact NE-OD1 3.95Å; R47-D49 IonicContact NE-OD2 3.98Å | ||
| 48 | D | 55.1 | Low | 58 | Low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | trans | -124 | 111.5 | 153.6 | -164.8 | 11.7 | 0 | 0 | 0 | 107.1 | G46 | G46-D48 PolarHBondContact O-N 2.94Š| ||
| 49 | D | 55 | Low | 56.6 | Low | 105 Ų | 105 | 143.4 Ų | 143.4 | 56% | 0.561 | 74% | 0.743 | S | S | * | * | trans | -67.3 | 125.6 | 174.1 | -64.9 | -48.5 | 0 | 0 | 0 | 107.2 | R47 | R47-D49 IonicContact NE-OD1 3.95Å; R47-D49 IonicContact NE-OD2 3.98Å | ||
| 50 | N | 58.1 | Low | 54.9 | Low | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -176.2 | 144.4 | 139.4 | -92 | -38.4 | 0 | 0 | 0 | 112.9 | ||||
| 51 | D | 58.5 | Low | 53.3 | Low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | 91.6 | 75.6 | 163.8 | -134.7 | 24.8 | 0 | 0 | 0 | 117.7 | ||||
| 52 | D | 54.3 | Low | 51.9 | Low | 151 Ų | 151 | 139.9 Ų | 139.9 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | 13.3 | 146.3 | 110.5 | -164.6 | 19.7 | 0 | 0 | 0 | 118 | |||||
| 53 | G | 46 | Very low | 50.9 | Low | 57 Ų | 57 | 138.7 Ų | 138.7 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | trans | 92.3 | 90.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 54 | V | 56.2 | Low | 51 | Low | 118 Ų | 118 | 137.6 Ų | 137.6 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | 158.7 | 98.2 | 117.5 | 167 | 0 | 0 | 0 | 0 | 108 | K56 | V54-K56 HydrophobicContact CG1-CB 4.49Å; V54-K56 HydrophobicContact CG1-CD 4.41Å; V54-K56 HydrophobicContact CG1-CG 3.84Å; V54-K56 PolarHBondContact O-N 2.91Å | |||
| 55 | I | 55.2 | Low | 51.7 | Low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -63.9 | 100.3 | 160.1 | -61.7 | 176.6 | 0 | 0 | 0 | 106.6 | ||||
| 56 | K | 53.9 | Low | 52.8 | Low | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -86.7 | 111.1 | 167 | -101.3 | 172.3 | -174.6 | 177.4 | 0 | 108.7 | V54 R58 | V54-K56 HydrophobicContact CG1-CB 4.49Å; V54-K56 HydrophobicContact CG1-CD 4.41Å; V54-K56 HydrophobicContact CG1-CG 3.84Å; V54-K56 PolarHBondContact O-N 2.91Å; K56-R58 PolarHBondContact O-N 2.84Å | ||
| 57 | N | 42.5 | Very low | 54.6 | Low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -32.6 | 107 | 171.9 | -67.4 | -34.5 | 0 | 0 | 0 | 112.4 | E59 | N57-E59 PolarHBondContact O-N 3.09Š| ||
| 58 | R | 52.2 | Low | 56.6 | Low | 203 Ų | 203 | 125.1 Ų | 125.1 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -79.8 | 80.4 | 168.8 | -170.3 | 177.3 | -171.9 | 172.5 | 1.3 | 107.7 | K56 | K56-R58 PolarHBondContact O-N 2.84Š| ||
| 59 | E | 47.6 | Very low | 58.2 | Low | 168 Ų | 168 | 125.3 Ų | 125.3 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | trans | -52.7 | 137.4 | 165 | -73.4 | 173.1 | 171.4 | 0 | 0 | 109.1 | N57 Q61 | N57-E59 PolarHBondContact O-N 3.09Å; E59-Q61 PolarHBondContact O-N 3.22Å | ||
| 60 | A | 41.7 | Very low | 59.9 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 66% | 0.66 | S | S | * | * | trans | -38.4 | 99.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T62 | A60-T62 PolarHBondContact O-N 3.25Š| ||
| 61 | Q | 42.1 | Very low | 61.5 | Low | 127 Ų | 127 | 116.5 Ų | 116.5 | 59% | 0.593 | 62% | 0.619 | S | S | * | * | trans | -75.9 | 109.3 | 175.5 | -88.2 | -179.3 | -16.3 | 0 | 0 | 108.9 | E59 | E59-Q61 PolarHBondContact O-N 3.22Š| ||
| 62 | T | 47.8 | Very low | 63.1 | Low | 103 Ų | 103 | 110.6 Ų | 110.6 | 63% | 0.632 | 59% | 0.591 | S | S | * | * | trans | -38.9 | 130.4 | 157.9 | -24 | 0 | 0 | 0 | 0 | 108.9 | A60 S64 | A60-T62 PolarHBondContact O-N 3.25Å; T62-S64 PolarHBondContact O-N 3.11Å | ||
| 63 | P | 46.8 | Very low | 65 | Low | 121 Ų | 121 | 105.2 Ų | 105.2 | 79% | 0.786 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 106.3 | -175.2 | 19 | -30.5 | 0 | 0 | 0 | 110.3 | D65 | P63-D65 PolarHBondContact O-N 2.74Å; P63-D65 VanDerWaalsContact O-N 3.09Å |
| 64 | S | 55.5 | Low | 67.3 | Low | 72 Ų | 72 | 105 Ų | 105 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 26.2 | 66 | 168.3 | -169.9 | 0 | 0 | 0 | 0 | 116.8 | T62 W66 | T62-S64 PolarHBondContact O-N 3.11Å; S64-W66 PolarHBondContact O-N 3.09Å |
| 65 | D | 66.8 | Low | 69.1 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | trans | -63.5 | 125.9 | 156.1 | -79.8 | -32.9 | 0 | 0 | 0 | 107.9 | P63 T67 | P63-D65 PolarHBondContact O-N 2.74Å; P63-D65 VanDerWaalsContact O-N 3.09Å; D65-T67 WeakPolarHBondContact O-CG2 3.4Å; D65-T67 PolarHBondContact O-N 3Å | ||
| 66 | W | 78.2 | Confident | 71.1 | Confident | 133 Ų | 133 | 101.5 Ų | 101.5 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | trans | -63.7 | 76.3 | 171.5 | -72.8 | 99.8 | 0 | 0 | 0 | 109.4 | S64 L71 I74 L109 L112 | S64-W66 PolarHBondContact O-N 3.09Å; W66-L71 HydrophobicContact CE3-CD2 3.86Å; W66-L71 HydrophobicContact CZ3-CD2 4.45Å; W66-I74 HydrophobicContact CZ3-CD1 3.79Å; W66-L109 HydrophobicContact CZ3-CD2 4.3Å; W66-L112 HydrophobicContact CB-CD2 3.83Å; W66-L112 HydrophobicContact CD2-CD2 4.09Å; W66-L112 HydrophobicContact CG-CD2 3.72Å | ||
| 67 | T | 86.6 | Confident | 73.1 | Confident | 63 Ų | 63 | 98.8 Ų | 98.8 | 39% | 0.387 | 51% | 0.505 | S | S | . | . | trans | -64.3 | 149 | -178 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | D65 Q69 K70 L71 | D65-T67 WeakPolarHBondContact O-CG2 3.4Å; D65-T67 PolarHBondContact O-N 3Å; T67-Q69 PolarHBondContact O-N 3.17Å; T67-Q69 VanDerWaalsContact O-N 3.11Å; T67-K70 PolarHBondContact O-N 2.92Å; T67-K70 WeakPolarHBondContact OG1-CG 3.48Å; T67-K70 PolarHBondContact OG1-N 3.12Å; T67-L71 PolarHBondContact O-N 3.36Å | ||
| 68 | L | 88.4 | Confident | 75.5 | Confident | 38 Ų | 38 | 92.6 Ų | 92.6 | 20% | 0.199 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -51.8 | -35.9 | 174.4 | -74.4 | 171.3 | 0 | 0 | 0 | 111.8 | A72 F113 A116 K117 Q120 | L68-A72 VanDerWaalsContact O-CB 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.25Å; L68-F113 HydrophobicContact CB-CE2 4.36Å; L68-F113 HydrophobicContact CD2-CD2 3.61Å; L68-F113 HydrophobicContact CD2-CE2 3.56Å; L68-F113 HydrophobicContact CD2-CG 4.3Å; L68-F113 HydrophobicContact CD2-CZ 4.22Å; L68-A116 HydrophobicContact CD2-CB 3.59Å; L68-A116 HydrophobicContact CG-CB 4.09Å; L68-K117 HydrophobicContact CD1-CG 4.45Å; L68-K117 HydrophobicContact CD2-CG 3.72Å; L68-Q120 HydrophobicContact CD1-CB 4.32Å; L68-Q120 VanDerWaalsContact CD1-OE1 3.24Å |
| 69 | Q | 88.8 | Confident | 77.6 | Confident | 155 Ų | 155 | 87.4 Ų | 87.4 | 72% | 0.724 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.6 | -43.2 | 176.4 | -176.1 | 179.8 | -14.1 | 0 | 0 | 112.8 | T67 A72 S73 | T67-Q69 PolarHBondContact O-N 3.17Å; T67-Q69 VanDerWaalsContact O-N 3.11Å; Q69-A72 PolarHBondContact O-N 3.15Å; Q69-S73 WeakPolarHBondContact O-CB 3.46Å; Q69-S73 PolarHBondContact O-N 3.22Å |
| 70 | K | 90.7 | Very high | 79.8 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 36% | 0.357 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 176.3 | -76.8 | 177.3 | 177.1 | 178.5 | 0 | 111 | T67 S73 I74 | T67-K70 PolarHBondContact O-N 2.92Å; T67-K70 WeakPolarHBondContact OG1-CG 3.48Å; T67-K70 PolarHBondContact OG1-N 3.12Å; K70-S73 WeakPolarHBondContact O-CB 3.31Å; K70-S73 PolarHBondContact O-N 3.45Å; K70-I74 WeakPolarHBondContact O-CG1 3.37Å; K70-I74 PolarHBondContact O-N 3.39Å |
| 71 | L | 92.2 | Very high | 82.2 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.005 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.8 | -68.9 | 170.6 | 0 | 0 | 0 | 111.5 | W66 T67 S73 I74 F75 L109 L112 F113 | W66-L71 HydrophobicContact CE3-CD2 3.86Å; W66-L71 HydrophobicContact CZ3-CD2 4.45Å; T67-L71 PolarHBondContact O-N 3.36Å; L71-S73 VanDerWaalsContact C-N 3.27Å; L71-S73 PolarHBondContact O-N 2.83Å; L71-I74 PolarHBondContact O-N 2.89Å; L71-I74 VanDerWaalsContact O-N 3.14Å; L71-F75 HydrophobicContact CB-CE2 4.21Å; L71-F75 WeakPolarHBondContact O-CD2 3.38Å; L71-F75 PolarHBondContact O-N 3.13Å; L71-L109 HydrophobicContact CD2-CB 4.41Å; L71-L109 HydrophobicContact CD2-CD2 3.97Å; L71-L112 HydrophobicContact CD1-CD2 4.45Å; L71-L112 HydrophobicContact CD1-CG 4.18Å; L71-L112 HydrophobicContact CD2-CD2 4.24Å; L71-F113 HydrophobicContact CB-CD2 3.68Å; L71-F113 HydrophobicContact CB-CE2 4.44Å; L71-F113 HydrophobicContact CD1-CB 3.98Å; L71-F113 HydrophobicContact CD1-CD2 4.05Å |
| 72 | A | 91.6 | Very high | 84.6 | Confident | 27 Ų | 27 | 77.6 Ų | 77.6 | 22% | 0.223 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L68 Q69 F75 R76 F113 | L68-A72 VanDerWaalsContact O-CB 3.24Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.25Å; Q69-A72 PolarHBondContact O-N 3.15Å; A72-F75 PolarHBondContact O-N 3.24Å; A72-R76 WeakPolarHBondContact O-CG 3.47Å; A72-R76 PolarHBondContact O-N 2.88Å; A72-F113 HydrophobicContact CB-CE2 4.49Å |
| 73 | S | 94.1 | Very high | 86.6 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 174.7 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | Q69 K70 L71 R76 Q77 | Q69-S73 WeakPolarHBondContact O-CB 3.46Å; Q69-S73 PolarHBondContact O-N 3.22Å; K70-S73 WeakPolarHBondContact O-CB 3.31Å; K70-S73 PolarHBondContact O-N 3.45Å; L71-S73 VanDerWaalsContact C-N 3.27Å; L71-S73 PolarHBondContact O-N 2.83Å; S73-R76 PolarHBondContact O-N 3.47Å; S73-Q77 WeakPolarHBondContact O-CG 3.33Å; S73-Q77 PolarHBondContact O-N 3.07Å |
| 74 | I | 93.7 | Very high | 88.7 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 177.2 | -66.5 | 165 | 0 | 0 | 0 | 110.4 | W66 K70 L71 R76 Q77 A78 L106 L109 | W66-I74 HydrophobicContact CZ3-CD1 3.79Å; K70-I74 WeakPolarHBondContact O-CG1 3.37Å; K70-I74 PolarHBondContact O-N 3.39Å; L71-I74 PolarHBondContact O-N 2.89Å; L71-I74 VanDerWaalsContact O-N 3.14Å; I74-R76 VanDerWaalsContact C-N 3.33Å; I74-R76 PolarHBondContact O-N 3.14Å; I74-Q77 PolarHBondContact O-N 3.4Å; I74-A78 WeakPolarHBondContact O-CB 3.43Å; I74-A78 PolarHBondContact O-N 3.05Å; I74-L106 HydrophobicContact CG2-CD2 4.26Å; I74-L109 HydrophobicContact CG2-CD1 4.06Å |
| 75 | F | 94.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 73.3 Ų | 73.3 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.3 | -66 | -54.7 | 0 | 0 | 0 | 112.8 | L71 A72 A78 Q79 L106 L109 Q110 F113 | L71-F75 HydrophobicContact CB-CE2 4.21Å; L71-F75 WeakPolarHBondContact O-CD2 3.38Å; L71-F75 PolarHBondContact O-N 3.13Å; A72-F75 PolarHBondContact O-N 3.24Å; F75-A78 PolarHBondContact O-N 2.98Å; F75-Q79 PolarHBondContact O-N 3.11Å; F75-L106 HydrophobicContact CE1-CB 4.5Å; F75-L106 HydrophobicContact CE1-CD2 4.49Å; F75-L109 HydrophobicContact CE1-CB 4.29Å; F75-L109 HydrophobicContact CZ-CB 4.05Å; F75-Q110 HydrophobicContact CZ-CB 4.35Å; F75-F113 HydrophobicContact CE2-CB 3.92Å; F75-F113 HydrophobicContact CE2-CD2 4.15Å; F75-F113 AromaticContact CE2-CG 4Å; F75-F113 HydrophobicContact CE2-CG 4Å; F75-F113 HydrophobicContact CZ-CB 4.36Å |
| 76 | R | 96.2 | Very high | 91.2 | Very high | 149 Ų | 149 | 69.3 Ų | 69.3 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -46.2 | 173.9 | -73.8 | -168.3 | -57.1 | -89.7 | 0.3 | 111.8 | A72 S73 I74 A78 Q79 V80 | A72-R76 WeakPolarHBondContact O-CG 3.47Å; A72-R76 PolarHBondContact O-N 2.88Å; S73-R76 PolarHBondContact O-N 3.47Å; I74-R76 VanDerWaalsContact C-N 3.33Å; I74-R76 PolarHBondContact O-N 3.14Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 3.01Å; R76-Q79 PolarHBondContact O-N 2.98Å; R76-V80 WeakPolarHBondContact O-CG2 3.31Å; R76-V80 PolarHBondContact O-N 2.96Å |
| 77 | Q | 96.2 | Very high | 91.6 | Very high | 127 Ų | 127 | 69.7 Ų | 69.7 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 178.2 | -71.4 | 176.1 | 21.6 | 0 | 0 | 112 | S73 I74 Q79 V80 L81 | S73-Q77 WeakPolarHBondContact O-CG 3.33Å; S73-Q77 PolarHBondContact O-N 3.07Å; I74-Q77 PolarHBondContact O-N 3.4Å; Q77-Q79 VanDerWaalsContact C-N 3.31Å; Q77-Q79 PolarHBondContact O-N 3.05Å; Q77-V80 PolarHBondContact O-N 3.33Å; Q77-L81 PolarHBondContact O-N 3.2Å |
| 78 | A | 94.3 | Very high | 91.5 | Very high | 13 Ų | 13 | 76.5 Ų | 76.5 | 11% | 0.107 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I74 F75 R76 L81 K82 L106 | I74-A78 WeakPolarHBondContact O-CB 3.43Å; I74-A78 PolarHBondContact O-N 3.05Å; F75-A78 PolarHBondContact O-N 2.98Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 3.01Å; A78-L81 PolarHBondContact O-N 2.92Å; A78-K82 VanDerWaalsContact O-CG 3.25Å; A78-K82 WeakPolarHBondContact O-CG 3.42Å; A78-K82 PolarHBondContact O-N 2.88Å; A78-L106 HydrophobicContact CB-CD1 3.53Å; A78-L106 HydrophobicContact CB-CD2 4.37Å |
| 79 | Q | 95 | Very high | 90.9 | Very high | 93 Ų | 93 | 77.9 Ų | 77.9 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 175.1 | -170.2 | 59 | 42 | 0 | 0 | 111.2 | F75 R76 Q77 L81 K82 D83 | F75-Q79 PolarHBondContact O-N 3.11Å; R76-Q79 PolarHBondContact O-N 2.98Å; Q77-Q79 VanDerWaalsContact C-N 3.31Å; Q77-Q79 PolarHBondContact O-N 3.05Å; Q79-L81 VanDerWaalsContact C-N 3.26Å; Q79-L81 PolarHBondContact O-N 3.03Å; Q79-K82 WeakPolarHBondContact O-CB 3.49Å; Q79-K82 PolarHBondContact O-N 2.86Å; Q79-D83 PolarHBondContact NE2-OD1 3.17Å; Q79-D83 PolarHBondContact O-N 3.06Å |
| 80 | V | 94.6 | Very high | 90.1 | Very high | 81 Ų | 81 | 74.3 Ų | 74.3 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | R76 Q77 D83 M84 | R76-V80 WeakPolarHBondContact O-CG2 3.31Å; R76-V80 PolarHBondContact O-N 2.96Å; Q77-V80 PolarHBondContact O-N 3.33Å; V80-D83 PolarHBondContact O-N 3.39Å; V80-M84 HydrophobicContact CG1-CE 4.21Å; V80-M84 HydrophobicContact CG1-CG 4.46Å; V80-M84 HydrophobicContact CG1-SD 4.44Å; V80-M84 WeakPolarHBondContact O-CB 3.41Å; V80-M84 VanDerWaalsContact O-CG 3.31Å; V80-M84 WeakPolarHBondContact O-CG 3.35Å; V80-M84 PolarHBondContact O-N 3.33Å |
| 81 | L | 92.1 | Very high | 89.2 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.1 | 178.4 | 61.3 | 0 | 0 | 0 | 112.3 | Q77 A78 Q79 D83 M84 I85 I102 | Q77-L81 PolarHBondContact O-N 3.2Å; A78-L81 PolarHBondContact O-N 2.92Å; Q79-L81 VanDerWaalsContact C-N 3.26Å; Q79-L81 PolarHBondContact O-N 3.03Å; L81-D83 VanDerWaalsContact C-N 3.31Å; L81-D83 PolarHBondContact O-N 3.33Å; L81-M84 HydrophobicContact CB-CE 4.38Å; L81-M84 HydrophobicContact CD1-CE 3.98Å; L81-M84 PolarHBondContact O-N 2.91Å; L81-I85 HydrophobicContact CD1-CD1 4.03Å; L81-I85 HydrophobicContact CD1-CG1 4.24Å; L81-I85 HydrophobicContact CG-CD1 3.95Å; L81-I85 WeakPolarHBondContact O-CD1 3.41Å; L81-I85 WeakPolarHBondContact O-CG1 3.41Å; L81-I85 PolarHBondContact O-N 3.31Å; L81-I102 HydrophobicContact CD2-CD1 3.96Å; L81-I102 HydrophobicContact CG-CD1 4.32Å |
| 82 | K | 91.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 77.1 Ų | 77.1 | 15% | 0.148 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.5 | -69.6 | 176.3 | -173.2 | -175.1 | 0 | 111.6 | A78 Q79 I85 A86 I99 I102 T103 | A78-K82 VanDerWaalsContact O-CG 3.25Å; A78-K82 WeakPolarHBondContact O-CG 3.42Å; A78-K82 PolarHBondContact O-N 2.88Å; Q79-K82 WeakPolarHBondContact O-CB 3.49Å; Q79-K82 PolarHBondContact O-N 2.86Å; K82-I85 PolarHBondContact O-N 3.28Å; K82-A86 PolarHBondContact O-N 2.97Å; K82-I99 HydrophobicContact CB-CD1 3.57Å; K82-I99 HydrophobicContact CD-CD1 4.36Å; K82-I99 HydrophobicContact CD-CG2 4.46Å; K82-I99 HydrophobicContact CG-CD1 3.51Å; K82-I102 HydrophobicContact CG-CG2 4.47Å; K82-T103 PolarHBondContact NZ-OG1 3.39Å |
| 83 | D | 91.6 | Very high | 88.4 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 40% | 0.401 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 178.9 | -60.4 | -19.8 | 0 | 0 | 0 | 110.5 | Q79 V80 L81 I85 A86 D87 | Q79-D83 PolarHBondContact NE2-OD1 3.17Å; Q79-D83 PolarHBondContact O-N 3.06Å; V80-D83 PolarHBondContact O-N 3.39Å; L81-D83 VanDerWaalsContact C-N 3.31Å; L81-D83 PolarHBondContact O-N 3.33Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact O-N 2.97Å; D83-A86 WeakPolarHBondContact O-CA 3.05Å; D83-A86 WeakPolarHBondContact O-CB 3.24Å; D83-A86 PolarHBondContact O-N 2.92Å; D83-D87 PolarHBondContact O-N 3.03Å |
| 84 | M | 90.6 | Very high | 87.9 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 44% | 0.443 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 174.4 | -74.7 | -171.6 | -59.7 | 0 | 0 | 111.9 | V80 L81 A86 D87 Y88 | V80-M84 HydrophobicContact CG1-CE 4.21Å; V80-M84 HydrophobicContact CG1-CG 4.46Å; V80-M84 HydrophobicContact CG1-SD 4.44Å; V80-M84 WeakPolarHBondContact O-CB 3.41Å; V80-M84 VanDerWaalsContact O-CG 3.31Å; V80-M84 WeakPolarHBondContact O-CG 3.35Å; V80-M84 PolarHBondContact O-N 3.33Å; L81-M84 HydrophobicContact CB-CE 4.38Å; L81-M84 HydrophobicContact CD1-CE 3.98Å; L81-M84 PolarHBondContact O-N 2.91Å; M84-A86 VanDerWaalsContact C-N 3.28Å; M84-A86 PolarHBondContact O-N 3.4Å; M84-D87 PolarHBondContact O-N 3.35Å; M84-Y88 WeakPolarHBondContact O-CD2 3.44Å; M84-Y88 PolarHBondContact O-N 3.05Å |
| 85 | I | 87.8 | Confident | 87.7 | Confident | 42 Ų | 42 | 89.2 Ų | 89.2 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 179.2 | -55.2 | 157.5 | 0 | 0 | 0 | 110.4 | L81 K82 D83 D87 Y88 N89 F95 V98 I99 I102 | L81-I85 HydrophobicContact CD1-CD1 4.03Å; L81-I85 HydrophobicContact CD1-CG1 4.24Å; L81-I85 HydrophobicContact CG-CD1 3.95Å; L81-I85 WeakPolarHBondContact O-CD1 3.41Å; L81-I85 WeakPolarHBondContact O-CG1 3.41Å; L81-I85 PolarHBondContact O-N 3.31Å; K82-I85 PolarHBondContact O-N 3.28Å; D83-I85 VanDerWaalsContact C-N 3.34Å; D83-I85 PolarHBondContact O-N 2.97Å; I85-D87 VanDerWaalsContact C-N 3.34Å; I85-Y88 PolarHBondContact O-N 3.38Å; I85-N89 PolarHBondContact O-N 2.77Å; I85-F95 HydrophobicContact CB-CD2 4.19Å; I85-F95 HydrophobicContact CB-CE2 4.44Å; I85-F95 HydrophobicContact CG2-CD2 3.69Å; I85-F95 HydrophobicContact CG2-CE2 4.41Å; I85-V98 HydrophobicContact CD1-CG1 3.75Å; I85-I99 HydrophobicContact CD1-CD1 4.45Å; I85-I102 HydrophobicContact CD1-CD1 3.94Å |
| 86 | A | 86.8 | Confident | 87.4 | Confident | 28 Ų | 28 | 89.7 Ų | 89.7 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K82 D83 M84 Y88 N89 P90 F95 | K82-A86 PolarHBondContact O-N 2.97Å; D83-A86 WeakPolarHBondContact O-CA 3.05Å; D83-A86 WeakPolarHBondContact O-CB 3.24Å; D83-A86 PolarHBondContact O-N 2.92Å; M84-A86 VanDerWaalsContact C-N 3.28Å; M84-A86 PolarHBondContact O-N 3.4Å; A86-Y88 VanDerWaalsContact C-N 3.32Å; A86-Y88 PolarHBondContact O-N 2.98Å; A86-N89 PolarHBondContact O-N 3.43Å; A86-P90 WeakPolarHBondContact O-CA 3.46Å; A86-P90 WeakPolarHBondContact O-CB 3.44Å; A86-P90 VanDerWaalsContact O-CD 3.23Å; A86-P90 WeakPolarHBondContact O-CD 3.28Å; A86-F95 VanDerWaalsContact CA-CE2 3.44Å; A86-F95 HydrophobicContact CB-CE2 3.54Å; A86-F95 HydrophobicContact CB-CZ 3.72Å |
| 87 | D | 87.4 | Confident | 87.1 | Confident | 141 Ų | 141 | 86.3 Ų | 86.3 | 75% | 0.754 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.5 | -34.9 | 178.6 | -70.2 | -20.4 | 0 | 0 | 0 | 112.5 | D83 M84 I85 | D83-D87 PolarHBondContact O-N 3.03Å; M84-D87 PolarHBondContact O-N 3.35Å; I85-D87 VanDerWaalsContact C-N 3.34Å |
| 88 | Y | 83.9 | Confident | 86.8 | Confident | 206 Ų | 206 | 82.8 Ų | 82.8 | 81% | 0.808 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -77.2 | -39.5 | 178.6 | -76.4 | -76.6 | 0 | 0 | 0 | 113.1 | M84 I85 A86 | M84-Y88 WeakPolarHBondContact O-CD2 3.44Å; M84-Y88 PolarHBondContact O-N 3.05Å; I85-Y88 PolarHBondContact O-N 3.38Å; A86-Y88 VanDerWaalsContact C-N 3.32Å; A86-Y88 PolarHBondContact O-N 2.98Å |
| 89 | N | 76.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | trans | -159.1 | 81.9 | -175.8 | -159.4 | -30.1 | 0 | 0 | 0 | 113.1 | I85 A86 S91 T92 F95 | I85-N89 PolarHBondContact O-N 2.77Å; A86-N89 PolarHBondContact O-N 3.43Å; N89-S91 VanDerWaalsContact C-N 3.26Å; N89-S91 PolarHBondContact O-N 3.46Å; N89-T92 PolarHBondContact ND2-OG1 3.22Å; N89-T92 WeakPolarHBondContact OD1-CB 3.37Å; N89-T92 PolarHBondContact OD1-N 2.86Å; N89-T92 PolarHBondContact OD1-OG1 3.01Å; N89-F95 WeakPolarHBondContact O-CB 3.29Å | ||
| 90 | P | 72 | Confident | 86.5 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.9 | -170.5 | 25.8 | -33.2 | 0 | 0 | 0 | 113.8 | A86 F95 | A86-P90 WeakPolarHBondContact O-CA 3.46Å; A86-P90 WeakPolarHBondContact O-CB 3.44Å; A86-P90 VanDerWaalsContact O-CD 3.23Å; A86-P90 WeakPolarHBondContact O-CD 3.28Å; P90-F95 VanDerWaalsContact O-CD1 3.26Å; P90-F95 WeakPolarHBondContact O-CD1 3.4Å |
| 91 | S | 70.4 | Confident | 86.5 | Confident | 107 Ų | 107 | 91.9 Ų | 91.9 | 75% | 0.748 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 5.4 | -165.5 | -57.1 | 0 | 0 | 0 | 0 | 114.7 | N89 | N89-S91 VanDerWaalsContact C-N 3.26Å; N89-S91 PolarHBondContact O-N 3.46Å |
| 92 | T | 81.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 89.8 Ų | 89.8 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | trans | -89.5 | 140.6 | -177.8 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | N89 R94 F95 I96 | N89-T92 PolarHBondContact ND2-OG1 3.22Å; N89-T92 WeakPolarHBondContact OD1-CB 3.37Å; N89-T92 PolarHBondContact OD1-N 2.86Å; N89-T92 PolarHBondContact OD1-OG1 3.01Å; T92-R94 HydrophobicContact CG2-CB 3.81Å; T92-R94 HydrophobicContact CG2-CG 4.03Å; T92-R94 PolarHBondContact O-N 3.34Å; T92-R94 VanDerWaalsContact O-N 3.11Å; T92-F95 WeakPolarHBondContact O-CA 3.33Å; T92-F95 WeakPolarHBondContact O-CB 3.22Å; T92-F95 PolarHBondContact O-N 3.33Å; T92-I96 PolarHBondContact O-N 3.43Å | ||
| 93 | E | 84.9 | Confident | 86.7 | Confident | 155 Ų | 155 | 90.8 Ų | 90.8 | 72% | 0.724 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -48.7 | -37.9 | 172.2 | -178.9 | 174.3 | -162 | 0 | 0 | 112.3 | F95 I96 M97 | E93-F95 PolarHBondContact O-N 3.46Å; E93-I96 PolarHBondContact O-N 2.78Å; E93-M97 WeakPolarHBondContact O-CB 3.42Å; E93-M97 PolarHBondContact O-N 3.4Å |
| 94 | R | 85.4 | Confident | 86.9 | Confident | 172 Ų | 172 | 90.2 Ų | 90.2 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.7 | -44.7 | 172.2 | -64.9 | -168.6 | -73.4 | -100.3 | 2.4 | 113.4 | T92 M97 V98 | T92-R94 HydrophobicContact CG2-CB 3.81Å; T92-R94 HydrophobicContact CG2-CG 4.03Å; T92-R94 PolarHBondContact O-N 3.34Å; T92-R94 VanDerWaalsContact O-N 3.11Å; R94-M97 PolarHBondContact O-N 3.03Å; R94-V98 VanDerWaalsContact O-CG2 3.29Å; R94-V98 WeakPolarHBondContact O-CG2 3.42Å; R94-V98 PolarHBondContact O-N 3.17Å |
| 95 | F | 87.4 | Confident | 87 | Confident | 43 Ų | 43 | 90.4 Ų | 90.4 | 19% | 0.189 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.9 | -51.9 | 175 | 162.2 | -104.9 | 0 | 0 | 0 | 109.8 | I85 A86 N89 P90 T92 E93 M97 V98 I99 | I85-F95 HydrophobicContact CB-CD2 4.19Å; I85-F95 HydrophobicContact CB-CE2 4.44Å; I85-F95 HydrophobicContact CG2-CD2 3.69Å; I85-F95 HydrophobicContact CG2-CE2 4.41Å; A86-F95 VanDerWaalsContact CA-CE2 3.44Å; A86-F95 HydrophobicContact CB-CE2 3.54Å; A86-F95 HydrophobicContact CB-CZ 3.72Å; N89-F95 WeakPolarHBondContact O-CB 3.29Å; P90-F95 VanDerWaalsContact O-CD1 3.26Å; P90-F95 WeakPolarHBondContact O-CD1 3.4Å; T92-F95 WeakPolarHBondContact O-CA 3.33Å; T92-F95 WeakPolarHBondContact O-CB 3.22Å; T92-F95 PolarHBondContact O-N 3.33Å; E93-F95 PolarHBondContact O-N 3.46Å; F95-M97 VanDerWaalsContact C-N 3.29Å; F95-M97 PolarHBondContact O-N 2.95Å; F95-V98 PolarHBondContact O-N 2.93Å; F95-V98 VanDerWaalsContact O-N 3.17Å; F95-I99 HydrophobicContact CD1-CG1 4.49Å; F95-I99 HydrophobicContact CD2-CD1 4.1Å; F95-I99 HydrophobicContact CD2-CG1 3.64Å; F95-I99 HydrophobicContact CE1-CG1 4.23Å; F95-I99 HydrophobicContact CE2-CD1 3.55Å; F95-I99 HydrophobicContact CE2-CG1 3.33Å; F95-I99 HydrophobicContact CG-CG1 4.23Å; F95-I99 HydrophobicContact CZ-CD1 4.14Å; F95-I99 HydrophobicContact CZ-CG1 3.67Å; F95-I99 VanDerWaalsContact O-CG1 3.23Å; F95-I99 WeakPolarHBondContact O-CG1 3.45Å; F95-I99 PolarHBondContact O-N 3.42Å |
| 96 | I | 89.2 | Confident | 87.4 | Confident | 68 Ų | 68 | 89.8 Ų | 89.8 | 35% | 0.349 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58 | -43.8 | -180 | -59.3 | 175.9 | 0 | 0 | 0 | 110.8 | T92 E93 R100 | T92-I96 PolarHBondContact O-N 3.43Å; E93-I96 PolarHBondContact O-N 2.78Å; I96-R100 HydrophobicContact CG2-CG 4.44Å; I96-R100 WeakPolarHBondContact O-CB 3.32Å; I96-R100 VanDerWaalsContact O-CG 3.22Å; I96-R100 WeakPolarHBondContact O-CG 3.42Å; I96-R100 PolarHBondContact O-N 3.3Å |
| 97 | M | 89.9 | Confident | 87.8 | Confident | 78 Ų | 78 | 93.5 Ų | 93.5 | 38% | 0.384 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 177.1 | -179.2 | 177.8 | 63.4 | 0 | 0 | 111.9 | E93 R94 F95 R100 R101 | E93-M97 WeakPolarHBondContact O-CB 3.42Å; E93-M97 PolarHBondContact O-N 3.4Å; R94-M97 PolarHBondContact O-N 3.03Å; F95-M97 VanDerWaalsContact C-N 3.29Å; F95-M97 PolarHBondContact O-N 2.95Å; M97-R100 PolarHBondContact O-N 3.18Å; M97-R101 WeakPolarHBondContact O-CG 3.23Å; M97-R101 PolarHBondContact O-N 3.24Å |
| 98 | V | 89.5 | Confident | 88.1 | Confident | 54 Ų | 54 | 91 Ų | 91 | 33% | 0.327 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 180 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | I85 R94 F95 R100 R101 I102 | I85-V98 HydrophobicContact CD1-CG1 3.75Å; R94-V98 VanDerWaalsContact O-CG2 3.29Å; R94-V98 WeakPolarHBondContact O-CG2 3.42Å; R94-V98 PolarHBondContact O-N 3.17Å; F95-V98 PolarHBondContact O-N 2.93Å; F95-V98 VanDerWaalsContact O-N 3.17Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 3.35Å; V98-R101 PolarHBondContact O-N 3.25Å; V98-I102 HydrophobicContact CG1-CD1 3.68Å; V98-I102 HydrophobicContact CG1-CG1 4.3Å; V98-I102 WeakPolarHBondContact O-CG1 3.42Å; V98-I102 PolarHBondContact O-N 2.99Å |
| 99 | I | 91.7 | Very high | 88.5 | Confident | 32 Ų | 32 | 83.1 Ų | 83.1 | 16% | 0.164 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 178.6 | -62.1 | -63.7 | 0 | 0 | 0 | 111.5 | K82 I85 F95 T103 | K82-I99 HydrophobicContact CB-CD1 3.57Å; K82-I99 HydrophobicContact CD-CD1 4.36Å; K82-I99 HydrophobicContact CD-CG2 4.46Å; K82-I99 HydrophobicContact CG-CD1 3.51Å; I85-I99 HydrophobicContact CD1-CD1 4.45Å; F95-I99 HydrophobicContact CD1-CG1 4.49Å; F95-I99 HydrophobicContact CD2-CD1 4.1Å; F95-I99 HydrophobicContact CD2-CG1 3.64Å; F95-I99 HydrophobicContact CE1-CG1 4.23Å; F95-I99 HydrophobicContact CE2-CD1 3.55Å; F95-I99 HydrophobicContact CE2-CG1 3.33Å; F95-I99 HydrophobicContact CG-CG1 4.23Å; F95-I99 HydrophobicContact CZ-CD1 4.14Å; F95-I99 HydrophobicContact CZ-CG1 3.67Å; F95-I99 VanDerWaalsContact O-CG1 3.23Å; F95-I99 WeakPolarHBondContact O-CG1 3.45Å; F95-I99 PolarHBondContact O-N 3.42Å; I99-T103 VanDerWaalsContact O-CB 3.29Å; I99-T103 WeakPolarHBondContact O-CB 3.42Å; I99-T103 PolarHBondContact O-N 3.03Å; I99-T103 PolarHBondContact O-OG1 2.93Å |
| 100 | R | 92.4 | Very high | 89.3 | Confident | 176 Ų | 176 | 83.7 Ų | 83.7 | 66% | 0.664 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 174.7 | -77.8 | 175.3 | 177.4 | 152.8 | 1.9 | 111.3 | I96 M97 V98 T103 A104 | I96-R100 HydrophobicContact CG2-CG 4.44Å; I96-R100 WeakPolarHBondContact O-CB 3.32Å; I96-R100 VanDerWaalsContact O-CG 3.22Å; I96-R100 WeakPolarHBondContact O-CG 3.42Å; I96-R100 PolarHBondContact O-N 3.3Å; M97-R100 PolarHBondContact O-N 3.18Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 3.35Å; R100-T103 PolarHBondContact O-N 2.82Å; R100-A104 WeakPolarHBondContact O-CB 3.29Å; R100-A104 PolarHBondContact O-N 3.28Å |
| 101 | R | 93.6 | Very high | 90.3 | Very high | 169 Ų | 169 | 85 Ų | 85 | 64% | 0.638 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | 177.3 | -74.2 | -177.9 | -179 | -166.6 | 1.8 | 111.6 | M97 V98 T103 A104 S105 | M97-R101 WeakPolarHBondContact O-CG 3.23Å; M97-R101 PolarHBondContact O-N 3.24Å; V98-R101 PolarHBondContact O-N 3.25Å; R101-T103 VanDerWaalsContact C-N 3.32Å; R101-T103 PolarHBondContact O-N 2.9Å; R101-A104 PolarHBondContact O-N 3.46Å; R101-S105 WeakPolarHBondContact O-CB 3.48Å; R101-S105 PolarHBondContact O-N 3.32Å; R101-S105 PolarHBondContact O-OG 2.83Å |
| 102 | I | 92.9 | Very high | 91.3 | Very high | 33 Ų | 33 | 82.6 Ų | 82.6 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 175.8 | -67.7 | 168.6 | 0 | 0 | 0 | 110.7 | L81 K82 I85 V98 S105 L106 | L81-I102 HydrophobicContact CD2-CD1 3.96Å; L81-I102 HydrophobicContact CG-CD1 4.32Å; K82-I102 HydrophobicContact CG-CG2 4.47Å; I85-I102 HydrophobicContact CD1-CD1 3.94Å; V98-I102 HydrophobicContact CG1-CD1 3.68Å; V98-I102 HydrophobicContact CG1-CG1 4.3Å; V98-I102 WeakPolarHBondContact O-CG1 3.42Å; V98-I102 PolarHBondContact O-N 2.99Å; I102-S105 PolarHBondContact O-N 3.16Å; I102-L106 HydrophobicContact CG2-CD1 3.85Å; I102-L106 VanDerWaalsContact O-CG 3.28Å; I102-L106 WeakPolarHBondContact O-CG 3.25Å; I102-L106 PolarHBondContact O-N 2.83Å |
| 103 | T | 94.7 | Very high | 91.7 | Very high | 55 Ų | 55 | 83.2 Ų | 83.2 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | -178.3 | -58.4 | 0 | 0 | 0 | 0 | 112 | K82 I99 R100 R101 L106 | K82-T103 PolarHBondContact NZ-OG1 3.39Å; I99-T103 VanDerWaalsContact O-CB 3.29Å; I99-T103 WeakPolarHBondContact O-CB 3.42Å; I99-T103 PolarHBondContact O-N 3.03Å; I99-T103 PolarHBondContact O-OG1 2.93Å; R100-T103 PolarHBondContact O-N 2.82Å; R101-T103 VanDerWaalsContact C-N 3.32Å; R101-T103 PolarHBondContact O-N 2.9Å; T103-L106 PolarHBondContact O-N 2.9Å |
| 104 | A | 95.7 | Very high | 92 | Very high | 63 Ų | 63 | 79.1 Ų | 79.1 | 52% | 0.521 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R100 R101 L106 K107 | R100-A104 WeakPolarHBondContact O-CB 3.29Å; R100-A104 PolarHBondContact O-N 3.28Å; R101-A104 PolarHBondContact O-N 3.46Å; A104-L106 PolarHBondContact O-N 3.17Å; A104-K107 WeakPolarHBondContact O-CB 3.39Å; A104-K107 PolarHBondContact O-N 3.46Å; A104-K107 VanDerWaalsContact O-N 3.13Å |
| 105 | S | 94 | Very high | 92.2 | Very high | 93 Ų | 93 | 76.7 Ų | 76.7 | 65% | 0.65 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.1 | -25 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | R101 I102 | R101-S105 WeakPolarHBondContact O-CB 3.48Å; R101-S105 PolarHBondContact O-N 3.32Å; R101-S105 PolarHBondContact O-OG 2.83Å; I102-S105 PolarHBondContact O-N 3.16Å |
| 106 | L | 94.9 | Very high | 92.1 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -11.9 | 177.2 | -71.6 | 168.3 | 0 | 0 | 0 | 113.9 | I74 F75 A78 I102 T103 A104 L109 Q110 | I74-L106 HydrophobicContact CG2-CD2 4.26Å; F75-L106 HydrophobicContact CE1-CB 4.5Å; F75-L106 HydrophobicContact CE1-CD2 4.49Å; A78-L106 HydrophobicContact CB-CD1 3.53Å; A78-L106 HydrophobicContact CB-CD2 4.37Å; I102-L106 HydrophobicContact CG2-CD1 3.85Å; I102-L106 VanDerWaalsContact O-CG 3.28Å; I102-L106 WeakPolarHBondContact O-CG 3.25Å; I102-L106 PolarHBondContact O-N 2.83Å; T103-L106 PolarHBondContact O-N 2.9Å; A104-L106 PolarHBondContact O-N 3.17Å; L106-L109 HydrophobicContact CD2-CD1 4.17Å; L106-L109 PolarHBondContact O-N 3.35Å; L106-L109 VanDerWaalsContact O-N 3.15Å; L106-Q110 PolarHBondContact O-N 3Å; L106-Q110 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 95.1 | Very high | 91.9 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.5 | -46.8 | -176.8 | -79.3 | -72.7 | 178.2 | -169.2 | 0 | 114.1 | A104 L109 Q110 D111 | A104-K107 WeakPolarHBondContact O-CB 3.39Å; A104-K107 PolarHBondContact O-N 3.46Å; A104-K107 VanDerWaalsContact O-N 3.13Å; K107-L109 PolarHBondContact O-N 2.98Å; K107-Q110 WeakPolarHBondContact O-CA 3.19Å; K107-Q110 VanDerWaalsContact O-CB 3.31Å; K107-Q110 WeakPolarHBondContact O-CB 3.32Å; K107-Q110 PolarHBondContact O-N 3.3Å; K107-D111 PolarHBondContact O-N 2.81Å; K107-D111 VanDerWaalsContact O-N 3.11Å |
| 108 | P | 94 | Very high | 91.8 | Very high | 89 Ų | 89 | 79.6 Ų | 79.6 | 58% | 0.578 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.7 | -32.4 | 178.4 | -24.7 | 35.5 | 0 | 0 | 0 | 113.6 | L112 | P108-L112 PolarHBondContact O-N 3.5Å; P108-L112 VanDerWaalsContact O-N 3.17Å |
| 109 | L | 93 | Very high | 91.5 | Very high | 40 Ų | 40 | 84.3 Ų | 84.3 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -73 | -32.3 | 175.8 | -67.9 | 177.5 | 0 | 0 | 0 | 111.9 | W66 L71 I74 F75 L106 K107 L112 F113 | W66-L109 HydrophobicContact CZ3-CD2 4.3Å; L71-L109 HydrophobicContact CD2-CB 4.41Å; L71-L109 HydrophobicContact CD2-CD2 3.97Å; I74-L109 HydrophobicContact CG2-CD1 4.06Å; F75-L109 HydrophobicContact CE1-CB 4.29Å; F75-L109 HydrophobicContact CZ-CB 4.05Å; L106-L109 HydrophobicContact CD2-CD1 4.17Å; L106-L109 PolarHBondContact O-N 3.35Å; L106-L109 VanDerWaalsContact O-N 3.15Å; K107-L109 PolarHBondContact O-N 2.98Å; L109-L112 PolarHBondContact O-N 2.86Å; L109-F113 WeakPolarHBondContact O-CB 3.26Å; L109-F113 PolarHBondContact O-N 3.46Å |
| 110 | Q | 93.3 | Very high | 90.7 | Very high | 80 Ų | 80 | 88.6 Ų | 88.6 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 173.8 | -174.1 | 173.5 | 16.4 | 0 | 0 | 110.5 | F75 L106 K107 L112 F113 D114 | F75-Q110 HydrophobicContact CZ-CB 4.35Å; L106-Q110 PolarHBondContact O-N 3Å; L106-Q110 VanDerWaalsContact O-N 3.09Å; K107-Q110 WeakPolarHBondContact O-CA 3.19Å; K107-Q110 VanDerWaalsContact O-CB 3.31Å; K107-Q110 WeakPolarHBondContact O-CB 3.32Å; K107-Q110 PolarHBondContact O-N 3.3Å; Q110-L112 VanDerWaalsContact C-N 3.29Å; Q110-L112 PolarHBondContact O-N 3.04Å; Q110-F113 WeakPolarHBondContact O-CB 3.21Å; Q110-F113 PolarHBondContact O-N 3.43Å; Q110-F113 VanDerWaalsContact O-N 3.12Å; Q110-D114 PolarHBondContact O-N 3.24Å |
| 111 | D | 92.2 | Very high | 90 | Very high | 106 Ų | 106 | 86.5 Ų | 86.5 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -40.3 | 176.8 | -62.5 | -29.2 | 0 | 0 | 0 | 111.8 | K107 D114 K115 | K107-D111 PolarHBondContact O-N 2.81Å; K107-D111 VanDerWaalsContact O-N 3.11Å; D111-D114 PolarHBondContact O-N 3.11Å; D111-K115 WeakPolarHBondContact O-CB 3.36Å; D111-K115 PolarHBondContact O-N 3.47Å |
| 112 | L | 91.3 | Very high | 88.8 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 175.2 | -176.1 | 60.5 | 0 | 0 | 0 | 111.9 | W66 L71 P108 L109 Q110 K115 A116 | W66-L112 HydrophobicContact CB-CD2 3.83Å; W66-L112 HydrophobicContact CD2-CD2 4.09Å; W66-L112 HydrophobicContact CG-CD2 3.72Å; L71-L112 HydrophobicContact CD1-CD2 4.45Å; L71-L112 HydrophobicContact CD1-CG 4.18Å; L71-L112 HydrophobicContact CD2-CD2 4.24Å; P108-L112 PolarHBondContact O-N 3.5Å; P108-L112 VanDerWaalsContact O-N 3.17Å; L109-L112 PolarHBondContact O-N 2.86Å; Q110-L112 VanDerWaalsContact C-N 3.29Å; Q110-L112 PolarHBondContact O-N 3.04Å; L112-K115 PolarHBondContact O-N 3.39Å; L112-A116 WeakPolarHBondContact O-CB 3.5Å; L112-A116 PolarHBondContact O-N 3.35Å |
| 113 | F | 90.7 | Very high | 87.6 | Confident | 49 Ų | 49 | 87.8 Ų | 87.8 | 22% | 0.215 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.6 | -177 | -98.7 | 0 | 0 | 0 | 111.8 | L68 L71 A72 F75 L109 Q110 K115 A116 K117 | L68-F113 HydrophobicContact CB-CE2 4.36Å; L68-F113 HydrophobicContact CD2-CD2 3.61Å; L68-F113 HydrophobicContact CD2-CE2 3.56Å; L68-F113 HydrophobicContact CD2-CG 4.3Å; L68-F113 HydrophobicContact CD2-CZ 4.22Å; L71-F113 HydrophobicContact CB-CD2 3.68Å; L71-F113 HydrophobicContact CB-CE2 4.44Å; L71-F113 HydrophobicContact CD1-CB 3.98Å; L71-F113 HydrophobicContact CD1-CD2 4.05Å; A72-F113 HydrophobicContact CB-CE2 4.49Å; F75-F113 HydrophobicContact CE2-CB 3.92Å; F75-F113 HydrophobicContact CE2-CD2 4.15Å; F75-F113 AromaticContact CE2-CG 4Å; F75-F113 HydrophobicContact CE2-CG 4Å; F75-F113 HydrophobicContact CZ-CB 4.36Å; L109-F113 WeakPolarHBondContact O-CB 3.26Å; L109-F113 PolarHBondContact O-N 3.46Å; Q110-F113 WeakPolarHBondContact O-CB 3.21Å; Q110-F113 PolarHBondContact O-N 3.43Å; Q110-F113 VanDerWaalsContact O-N 3.12Å; F113-K115 VanDerWaalsContact C-N 3.35Å; F113-K115 PolarHBondContact O-N 3.02Å; F113-A116 PolarHBondContact O-N 3.41Å; F113-K117 HydrophobicContact CD1-CD 4.07Å; F113-K117 HydrophobicContact CD1-CG 4.28Å; F113-K117 HydrophobicContact CE1-CD 3.43Å; F113-K117 VanDerWaalsContact CE1-CD 3.43Å; F113-K117 HydrophobicContact CE1-CG 3.94Å; F113-K117 HydrophobicContact CZ-CD 3.91Å; F113-K117 HydrophobicContact CZ-CG 4.19Å; F113-K117 PolarHBondContact O-N 2.9Å |
| 114 | D | 91 | Very high | 86.2 | Confident | 68 Ų | 68 | 88.4 Ų | 88.4 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.3 | -72 | -22.8 | 0 | 0 | 0 | 111.6 | Q110 D111 K117 K118 | Q110-D114 PolarHBondContact O-N 3.24Å; D111-D114 PolarHBondContact O-N 3.11Å; D114-K117 PolarHBondContact O-N 3.41Å; D114-K118 WeakPolarHBondContact O-CB 3.31Å; D114-K118 VanDerWaalsContact O-CG 3.31Å; D114-K118 WeakPolarHBondContact O-CG 3.45Å; D114-K118 PolarHBondContact O-N 3.07Å |
| 115 | K | 89.6 | Confident | 84.7 | Confident | 122 Ų | 122 | 91.9 Ų | 91.9 | 53% | 0.53 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 172.5 | -173 | 176 | -176.3 | 175.7 | 0 | 111.7 | D111 L112 F113 K118 R119 | D111-K115 WeakPolarHBondContact O-CB 3.36Å; D111-K115 PolarHBondContact O-N 3.47Å; L112-K115 PolarHBondContact O-N 3.39Å; F113-K115 VanDerWaalsContact C-N 3.35Å; F113-K115 PolarHBondContact O-N 3.02Å; K115-K118 PolarHBondContact O-N 3.21Å; K115-R119 WeakPolarHBondContact O-CG 3.33Å; K115-R119 PolarHBondContact O-N 3.38Å; K115-R119 VanDerWaalsContact O-N 3.11Å |
| 116 | A | 85.4 | Confident | 83.1 | Confident | 21 Ų | 21 | 91.9 Ų | 91.9 | 17% | 0.174 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L68 L112 F113 R119 Q120 | L68-A116 HydrophobicContact CD2-CB 3.59Å; L68-A116 HydrophobicContact CG-CB 4.09Å; L112-A116 WeakPolarHBondContact O-CB 3.5Å; L112-A116 PolarHBondContact O-N 3.35Å; F113-A116 PolarHBondContact O-N 3.41Å; A116-R119 WeakPolarHBondContact O-CB 3.38Å; A116-R119 PolarHBondContact O-N 3.38Å; A116-Q120 PolarHBondContact O-N 2.72Å |
| 117 | K | 86.1 | Confident | 81.6 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 40% | 0.4 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 174.4 | -81.1 | -163.6 | 65.3 | 177.8 | 0 | 111.9 | L68 F113 D114 R119 Q120 I121 | L68-K117 HydrophobicContact CD1-CG 4.45Å; L68-K117 HydrophobicContact CD2-CG 3.72Å; F113-K117 HydrophobicContact CD1-CD 4.07Å; F113-K117 HydrophobicContact CD1-CG 4.28Å; F113-K117 HydrophobicContact CE1-CD 3.43Å; F113-K117 VanDerWaalsContact CE1-CD 3.43Å; F113-K117 HydrophobicContact CE1-CG 3.94Å; F113-K117 HydrophobicContact CZ-CD 3.91Å; F113-K117 HydrophobicContact CZ-CG 4.19Å; F113-K117 PolarHBondContact O-N 2.9Å; D114-K117 PolarHBondContact O-N 3.41Å; K117-R119 VanDerWaalsContact C-N 3.26Å; K117-R119 PolarHBondContact O-N 2.84Å; K117-Q120 PolarHBondContact O-N 3.1Å; K117-Q120 VanDerWaalsContact O-N 3.16Å; K117-I121 WeakPolarHBondContact O-CG1 3.5Å; K117-I121 PolarHBondContact O-N 3.43Å |
| 118 | K | 86.8 | Confident | 80 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59 | -38.3 | 176.2 | -75.5 | 175 | -177.8 | 178.3 | 0 | 111.9 | D114 K115 Q122 | D114-K118 WeakPolarHBondContact O-CB 3.31Å; D114-K118 VanDerWaalsContact O-CG 3.31Å; D114-K118 WeakPolarHBondContact O-CG 3.45Å; D114-K118 PolarHBondContact O-N 3.07Å; K115-K118 PolarHBondContact O-N 3.21Å; K118-Q122 VanDerWaalsContact O-CB 3.27Å; K118-Q122 WeakPolarHBondContact O-CB 3.23Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.96Å; K118-Q122 PolarHBondContact O-NE2 2.83Å |
| 119 | R | 82.4 | Confident | 78.4 | Confident | 154 Ų | 154 | 99.8 Ų | 99.8 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.1 | -44.7 | 175.1 | -72.5 | 171.5 | 176.5 | -177.7 | -4.7 | 111.6 | K115 A116 K117 I121 Q122 L123 | K115-R119 WeakPolarHBondContact O-CG 3.33Å; K115-R119 PolarHBondContact O-N 3.38Å; K115-R119 VanDerWaalsContact O-N 3.11Å; A116-R119 WeakPolarHBondContact O-CB 3.38Å; A116-R119 PolarHBondContact O-N 3.38Å; K117-R119 VanDerWaalsContact C-N 3.26Å; K117-R119 PolarHBondContact O-N 2.84Å; R119-I121 VanDerWaalsContact C-N 3.34Å; R119-I121 PolarHBondContact O-N 2.86Å; R119-Q122 PolarHBondContact O-N 2.89Å; R119-L123 WeakPolarHBondContact O-CG 3.13Å; R119-L123 PolarHBondContact O-N 3.07Å; R119-L123 VanDerWaalsContact O-N 3.16Å |
| 120 | Q | 76.7 | Confident | 76.6 | Confident | 121 Ų | 121 | 104.9 Ų | 104.9 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 179.1 | -172 | 178 | 49.9 | 0 | 0 | 112.4 | L68 A116 K117 L123 | L68-Q120 HydrophobicContact CD1-CB 4.32Å; L68-Q120 VanDerWaalsContact CD1-OE1 3.24Å; A116-Q120 PolarHBondContact O-N 2.72Å; K117-Q120 PolarHBondContact O-N 3.1Å; K117-Q120 VanDerWaalsContact O-N 3.16Å; Q120-L123 WeakPolarHBondContact O-CB 3.32Å; Q120-L123 PolarHBondContact O-N 3.3Å |
| 121 | I | 76.2 | Confident | 74.8 | Confident | 133 Ų | 133 | 110.3 Ų | 110.3 | 68% | 0.682 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72 | -34.3 | 177.5 | -63.5 | 166.1 | 0 | 0 | 0 | 111.4 | K117 R119 L123 | K117-I121 WeakPolarHBondContact O-CG1 3.5Å; K117-I121 PolarHBondContact O-N 3.43Å; R119-I121 VanDerWaalsContact C-N 3.34Å; R119-I121 PolarHBondContact O-N 2.86Å; I121-L123 PolarHBondContact O-N 2.59Å |
| 122 | Q | 69.7 | Low | 73.2 | Confident | 146 Ų | 146 | 112.4 Ų | 112.4 | 68% | 0.682 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75.1 | -10.4 | 177.5 | -80.9 | 173.6 | 88.2 | 0 | 0 | 114 | K118 R119 P124 | K118-Q122 VanDerWaalsContact O-CB 3.27Å; K118-Q122 WeakPolarHBondContact O-CB 3.23Å; K118-Q122 VanDerWaalsContact O-CG 3.26Å; K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.96Å; K118-Q122 PolarHBondContact O-NE2 2.83Å; R119-Q122 PolarHBondContact O-N 2.89Å; Q122-P124 WeakPolarHBondContact O-CD 3.43Å; Q122-P124 VanDerWaalsContact O-N 3.16Å |
| 123 | L | 66.6 | Low | 71.5 | Confident | 82 Ų | 82 | 114.6 Ų | 114.6 | 43% | 0.429 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -59.1 | 122.8 | 172.9 | -70.2 | 172.2 | 0 | 0 | 0 | 108.1 | R119 Q120 I121 I125 M127 | R119-L123 WeakPolarHBondContact O-CG 3.13Å; R119-L123 PolarHBondContact O-N 3.07Å; R119-L123 VanDerWaalsContact O-N 3.16Å; Q120-L123 WeakPolarHBondContact O-CB 3.32Å; Q120-L123 PolarHBondContact O-N 3.3Å; I121-L123 PolarHBondContact O-N 2.59Å; L123-I125 PolarHBondContact O-N 3.44Å; L123-M127 HydrophobicContact CB-CE 3.74Å; L123-M127 HydrophobicContact CB-SD 4.38Å; L123-M127 HydrophobicContact CD1-CE 3.79Å; L123-M127 HydrophobicContact CD2-CE 3.71Å; L123-M127 HydrophobicContact CD2-SD 3.96Å; L123-M127 HydrophobicContact CG-CE 3.91Å |
| 124 | P | 66.2 | Low | 69.5 | Low | 68 Ų | 68 | 117 Ų | 117 | 44% | 0.442 | 59% | 0.594 | S | S | . | * | trans | -53.1 | 128.9 | -179.9 | -26.2 | 34.1 | 0 | 0 | 0 | 109.3 | Q122 T126 M127 | Q122-P124 WeakPolarHBondContact O-CD 3.43Å; Q122-P124 VanDerWaalsContact O-N 3.16Å; P124-T126 HydrophobicContact CB-CG2 4.39Å; P124-T126 WeakPolarHBondContact CB-OG1 3.49Å; P124-T126 PolarHBondContact O-N 2.92Å; P124-M127 HydrophobicContact CB-CG 4.46Å; P124-M127 WeakPolarHBondContact O-CG 3.27Å; P124-M127 PolarHBondContact O-N 3.49Å | ||
| 125 | I | 64.2 | Low | 67.4 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 70% | 0.697 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -50.4 | -25.2 | 170 | -64.6 | 170.7 | 0 | 0 | 0 | 110 | L123 M127 F128 L129 | L123-I125 PolarHBondContact O-N 3.44Å; I125-M127 PolarHBondContact O-N 3.33Å; I125-M127 VanDerWaalsContact O-N 3.15Å; I125-F128 PolarHBondContact O-N 3.39Å; I125-L129 PolarHBondContact O-N 3.01Å |
| 126 | T | 60.7 | Low | 65.5 | Low | 93 Ų | 93 | 117.4 Ų | 117.4 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -60.1 | -18.7 | 175 | 72.4 | 0 | 0 | 0 | 0 | 114.8 | P124 F128 L129 | P124-T126 HydrophobicContact CB-CG2 4.39Å; P124-T126 WeakPolarHBondContact CB-OG1 3.49Å; P124-T126 PolarHBondContact O-N 2.92Å; T126-F128 PolarHBondContact O-N 3.28Å; T126-L129 PolarHBondContact O-N 3.07Å |
| 127 | M | 62.1 | Low | 63.1 | Low | 104 Ų | 104 | 125.7 Ų | 125.7 | 51% | 0.512 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -69.7 | -24.2 | 172.1 | -53.9 | -165.8 | -30.4 | 0 | 0 | 112.1 | L123 P124 I125 | L123-M127 HydrophobicContact CB-CE 3.74Å; L123-M127 HydrophobicContact CB-SD 4.38Å; L123-M127 HydrophobicContact CD1-CE 3.79Å; L123-M127 HydrophobicContact CD2-CE 3.71Å; L123-M127 HydrophobicContact CD2-SD 3.96Å; L123-M127 HydrophobicContact CG-CE 3.91Å; P124-M127 HydrophobicContact CB-CG 4.46Å; P124-M127 WeakPolarHBondContact O-CG 3.27Å; P124-M127 PolarHBondContact O-N 3.49Å; I125-M127 PolarHBondContact O-N 3.33Å; I125-M127 VanDerWaalsContact O-N 3.15Å |
| 128 | F | 61.7 | Low | 61.1 | Low | 169 Ų | 169 | 127.3 Ų | 127.3 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -10 | 173.4 | -65.4 | -79.3 | 0 | 0 | 0 | 113 | I125 T126 N130 | I125-F128 PolarHBondContact O-N 3.39Å; T126-F128 PolarHBondContact O-N 3.28Å; F128-N130 PolarHBondContact O-N 3.5Å |
| 129 | L | 59.6 | Low | 59 | Low | 118 Ų | 118 | 128.2 Ų | 128.2 | 62% | 0.618 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -91.1 | 85.1 | 170.5 | -60.1 | 176.5 | 0 | 0 | 0 | 108.4 | I125 T126 K131 | I125-L129 PolarHBondContact O-N 3.01Å; T126-L129 PolarHBondContact O-N 3.07Å; L129-K131 PolarHBondContact O-N 3.28Å; L129-K131 VanDerWaalsContact O-N 3.1Å |
| 130 | N | 56.3 | Low | 57.6 | Low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | trans | -52 | 121.8 | 163.2 | -72.5 | -34.2 | 0 | 0 | 0 | 108.1 | F128 I132 | F128-N130 PolarHBondContact O-N 3.5Å; N130-I132 PolarHBondContact O-N 3.14Å | ||
| 131 | K | 56 | Low | 56.3 | Low | 193 Ų | 193 | 130.2 Ų | 130.2 | 84% | 0.839 | 70% | 0.702 | S | S | * | * | trans | -51.3 | 110 | 172.1 | -171.2 | 178.1 | -175 | -178.4 | 0 | 107.4 | L129 P133 | L129-K131 PolarHBondContact O-N 3.28Å; L129-K131 VanDerWaalsContact O-N 3.1Å; K131-P133 VanDerWaalsContact O-CD 3.3Å; K131-P133 WeakPolarHBondContact O-CD 3.25Å | ||
| 132 | I | 58.2 | Low | 54.7 | Low | 150 Ų | 150 | 135.1 Ų | 135.1 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | trans | -52.4 | 119.3 | 168 | -60.2 | 173.4 | 0 | 0 | 0 | 104.8 | N130 A134 | N130-I132 PolarHBondContact O-N 3.14Å; I132-A134 PolarHBondContact O-N 3.38Å | ||
| 133 | P | 55.6 | Low | 54.2 | Low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | trans | -57.8 | 117.9 | 179.1 | -19.5 | 29.9 | 0 | 0 | 0 | 106.9 | K131 A135 | K131-P133 VanDerWaalsContact O-CD 3.3Å; K131-P133 WeakPolarHBondContact O-CD 3.25Å; P133-A135 PolarHBondContact O-N 3.3Å | ||
| 134 | A | 48.1 | Very low | 53 | Low | 99 Ų | 99 | 144.2 Ų | 144.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -70.3 | 69.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | I132 | I132-A134 PolarHBondContact O-N 3.38Š| ||
| 135 | A | 48.1 | Very low | 52 | Low | 75 Ų | 75 | 146.3 Ų | 146.3 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | trans | -99 | 87.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | P133 K137 | P133-A135 PolarHBondContact O-N 3.3Å; A135-K137 PolarHBondContact O-N 3.28Å | ||
| 136 | T | 48.3 | Very low | 51.1 | Low | 125 Ų | 125 | 146.8 Ų | 146.8 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | trans | 21.7 | 100.6 | 132.8 | -36.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 137 | K | 35.3 | Very low | 50.7 | Low | 194 Ų | 194 | 149.3 Ų | 149.3 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | 50.3 | 82.9 | 148.9 | -63.9 | 177.5 | 178.7 | 175.9 | 0 | 116.8 | A135 N139 | A135-K137 PolarHBondContact O-N 3.28Å; K137-N139 PolarHBondContact O-N 3.18Å | ||
| 138 | T | 43.4 | Very low | 49.8 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -82.1 | 109.3 | 153.7 | 36.2 | 0 | 0 | 0 | 0 | 109.8 | I140 | T138-I140 PolarHBondContact O-N 3.01Š| ||
| 139 | N | 44.3 | Very low | 48.9 | Very low | 155 Ų | 155 | 147 Ų | 147 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | -56 | 102.6 | 159.9 | -75 | -55.6 | 0 | 0 | 0 | 108.4 | K137 L141 | K137-N139 PolarHBondContact O-N 3.18Å; N139-L141 PolarHBondContact O-N 3.3Å | ||
| 140 | I | 51.5 | Low | 48.3 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 82% | 0.821 | 79% | 0.787 | S | S | * | * | trans | -75 | 100.4 | 171.4 | -62.7 | 178.7 | 0 | 0 | 0 | 107.5 | T138 | T138-I140 PolarHBondContact O-N 3.01Š| ||
| 141 | L | 50 | Low | 48.1 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -0.4 | 124.3 | 159.4 | -113.6 | 86.8 | 0 | 0 | 0 | 117.8 | N139 | N139-L141 PolarHBondContact O-N 3.3Š| ||
| 142 | R | 42.4 | Very low | 48 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -27.8 | 130.6 | 149 | -69.7 | 179.5 | 179.4 | 177.7 | -1.5 | 113.2 | ||||
| 143 | R | 59 | Low | 47.3 | Very low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -141.3 | 97 | 147.6 | -157.5 | 174.5 | -174.5 | 107.2 | -1.4 | 108.6 | ||||
| 144 | E | 41.5 | Very low | 47.1 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -75.2 | 131.6 | 163.5 | -67.4 | -152.2 | 157.8 | 0 | 0 | 109.3 | ||||
| 145 | V | 46.2 | Very low | 47.2 | Very low | 111 Ų | 111 | 153 Ų | 153 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | -157.9 | 108.2 | 149.5 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 146 | L | 44.2 | Very low | 47.2 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | 46.3 | 132.9 | 135.7 | -50.1 | 173.2 | 0 | 0 | 0 | 118.2 | ||||
| 147 | L | 53.1 | Low | 47.1 | Very low | 146 Ų | 146 | 153.3 Ų | 153.3 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | cis | 174.9 | -178.4 | 28.8 | -116.6 | 171.7 | 0 | 0 | 0 | 106.7 | ||||
| 148 | P | 43.1 | Very low | 47.7 | Very low | 96 Ų | 96 | 155 Ų | 155 | 62% | 0.623 | 81% | 0.806 | S | S | * | * | -117.3 | 166.5 | -107.4 | 43.1 | -28.8 | 0 | 0 | 0 | 116.8 | |||||
| 149 | T | 43.4 | Very low | 48.1 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | 43.7 | 117.5 | 144.6 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 150 | S | 47.1 | Very low | 48.5 | Very low | 129 Ų | 129 | 152.2 Ų | 152.2 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -154 | 133.7 | 135 | -164.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 151 | S | 51.8 | Low | 48.5 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -78.5 | 152.5 | -166.7 | -55.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 152 | R | 53.6 | Low | 48.8 | Very low | 236 Ų | 236 | 148.5 Ų | 148.5 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | 147.4 | 133.6 | 95.2 | -157.4 | 168.7 | -167.9 | 165.4 | 1.9 | 111.5 | |||||
| 153 | S | 43.9 | Very low | 49.4 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | -48.4 | 157.5 | 176.2 | 60.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 154 | V | 50.1 | Low | 49.6 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | -158.3 | 148.2 | 117.7 | 167.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 155 | R | 51.3 | Low | 50.4 | Low | 219 Ų | 219 | 139.9 Ų | 139.9 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -98.9 | 151.5 | -165.4 | -164.7 | -167.6 | -178 | 159.8 | -2.1 | 111.2 | ||||
| 156 | T | 48.9 | Very low | 50.9 | Low | 133 Ų | 133 | 140.4 Ų | 140.4 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | 70.9 | 129.7 | 148.6 | 18.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 157 | G | 44.9 | Very low | 52.1 | Low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 141.2 | 109 | 140.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 158 | Y | 47.8 | Very low | 52.4 | Low | 230 Ų | 230 | 141.8 Ų | 141.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | 13.3 | 139 | 140 | -110.2 | -109.8 | 0 | 0 | 0 | 118.4 | ||||
| 159 | S | 52.2 | Low | 53.7 | Low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | cis | -177.2 | 162 | 47 | -158.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 160 | P | 51.6 | Low | 54.4 | Low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | trans | -100.5 | 158.1 | -171.1 | 37.2 | -27.9 | 0 | 0 | 0 | 114.5 | ||||
| 161 | G | 51.6 | Low | 54.8 | Low | 62 Ų | 62 | 144.5 Ų | 144.5 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | trans | -176.3 | 113.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 162 | E | 56.5 | Low | 54.9 | Low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | 78 | 126.3 | 105.3 | -93.2 | -168.7 | 149 | 0 | 0 | 111.7 | |||||
| 163 | Q | 56.7 | Low | 55 | Low | 138 Ų | 138 | 141.3 Ų | 141.3 | 65% | 0.645 | 83% | 0.828 | S | S | * | * | cis | -162.8 | 135.7 | 28 | -56.7 | -175.8 | -19.9 | 0 | 0 | 109.3 | ||||
| 164 | R | 61.8 | Low | 55.6 | Low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | 85.2 | 152.4 | 112.3 | -78.4 | -167.2 | -172 | 149.7 | 4.7 | 119.1 | |||||
| 165 | P | 59.5 | Low | 56 | Low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 83% | 0.834 | S | S | * | * | trans | -124 | -158.3 | -146.3 | 49.2 | -31.8 | 0 | 0 | 0 | 112.4 | ||||
| 166 | P | 56.9 | Low | 56.3 | Low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | trans | -93.8 | 161.3 | -132.6 | 34.9 | -15.8 | 0 | 0 | 0 | 114.9 | ||||
| 167 | T | 68.2 | Low | 56.8 | Low | 137 Ų | 137 | 139.2 Ų | 139.2 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -112.5 | 122 | 172.4 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 168 | E | 60.5 | Low | 57.8 | Low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -82.4 | 142.2 | 165.1 | -169.1 | 179.2 | 176.2 | 0 | 0 | 108.8 | ||||
| 169 | S | 69.2 | Low | 58.6 | Low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -128.4 | 128.6 | 159.5 | -81.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 170 | G | 58.5 | Low | 59.2 | Low | 151 Ų | 151 | 140.6 Ų | 140.6 | 100% | 1.557 | 85% | 0.85 | S | S | * | * | trans | -78.6 | 0 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 |
Retrieved 170 of 170 residues in 25.2 ms
(Link to these results)