| 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 | 44.9 | Very low | 48 | Very low | 250 Ų | 250 | 158.3 Ų | 158.3 | 100% | 1.232 | 90% | 0.903 | S | S | * | * | 0 | 103.7 | 0 | -67.9 | -134.4 | -178.4 | 0 | 0 | 108.2 | |||||
| 2 | S | 43.8 | Very low | 48.7 | Very low | 126 Ų | 126 | 153.1 Ų | 153.1 | 88% | 0.881 | 89% | 0.894 | S | S | * | * | trans | -167.2 | 144.1 | 158.1 | 70.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 3 | L | 46.5 | Very low | 49.3 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 90% | 0.901 | 89% | 0.893 | S | S | * | * | trans | -86.6 | 160.1 | -160.5 | -71.6 | 147.5 | 0 | 0 | 0 | 114.1 | ||||
| 4 | S | 44.7 | Very low | 50 | Low | 99 Ų | 99 | 155.6 Ų | 155.6 | 69% | 0.692 | 89% | 0.886 | S | S | * | * | trans | -57.4 | 148.5 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 5 | N | 47.4 | Very low | 50.5 | Low | 177 Ų | 177 | 154.1 Ų | 154.1 | 95% | 0.947 | 88% | 0.881 | S | S | * | * | trans | -130.6 | 116.8 | 147.5 | -92.1 | -21.6 | 0 | 0 | 0 | 108.5 | ||||
| 6 | G | 46.3 | Very low | 51 | Low | 80 Ų | 80 | 156.3 Ų | 156.3 | 83% | 0.825 | 88% | 0.877 | S | S | * | * | trans | -100.8 | 144.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | S | 53.1 | Low | 51.2 | Low | 126 Ų | 126 | 157.9 Ų | 157.9 | 88% | 0.881 | 87% | 0.873 | S | S | * | * | trans | -126.1 | 110 | 165.3 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 8 | L | 47.7 | Very low | 51.7 | Low | 173 Ų | 173 | 162.6 Ų | 162.6 | 91% | 0.906 | 88% | 0.875 | S | S | * | * | trans | -90.2 | 117.3 | 172.5 | -83 | 159.2 | 0 | 0 | 0 | 109.4 | ||||
| 9 | L | 48.1 | Very low | 52.5 | Low | 177 Ų | 177 | 162.2 Ų | 162.2 | 93% | 0.927 | 87% | 0.867 | S | S | * | * | trans | -136.2 | 98.4 | 154.7 | -82 | 175 | 0 | 0 | 0 | 110.5 | ||||
| 10 | R | 48.1 | Very low | 53 | Low | 244 Ų | 244 | 160 Ų | 160 | 92% | 0.921 | 86% | 0.863 | S | S | * | * | trans | 4.1 | 120.8 | 160.2 | -66.5 | 178.1 | 173 | -150.1 | -2.2 | 119.1 | ||||
| 11 | S | 57.4 | Low | 53.4 | Low | 117 Ų | 117 | 161.8 Ų | 161.8 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | -79.7 | 138.1 | 161.7 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 12 | A | 55.9 | Low | 54.2 | Low | 96 Ų | 96 | 161.2 Ų | 161.2 | 79% | 0.793 | 85% | 0.847 | S | S | * | * | trans | -75.1 | 131.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | L14 | A12-L14 PolarHBondContact O-N 3.37Š| ||
| 13 | Q | 56.7 | Low | 54.7 | Low | 190 Ų | 190 | 161 Ų | 161 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -71.7 | 113.7 | 177.7 | -73.3 | 174.4 | -26.3 | 0 | 0 | 110.6 | V15 | Q13-V15 PolarHBondContact O-N 3.3Š| ||
| 14 | L | 59.5 | Low | 55.6 | Low | 152 Ų | 152 | 157.1 Ų | 157.1 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | trans | -72.1 | 111.5 | 166.3 | -87.2 | 159.7 | 0 | 0 | 0 | 109.4 | A12 F16 | A12-L14 PolarHBondContact O-N 3.37Å; L14-F16 PolarHBondContact O-N 3.22Å | ||
| 15 | V | 57.5 | Low | 56.5 | Low | 133 Ų | 133 | 155.9 Ų | 155.9 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | trans | -76.5 | 106.3 | 169.9 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | Q13 F17 | Q13-V15 PolarHBondContact O-N 3.3Å; V15-F17 PolarHBondContact O-N 3.29Å | ||
| 16 | F | 58.4 | Low | 57.6 | Low | 188 Ų | 188 | 154 Ų | 154 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -74.7 | 103.9 | 173.8 | -89.7 | -87.7 | 0 | 0 | 0 | 110.5 | L14 R18 | L14-F16 PolarHBondContact O-N 3.22Å; F16-R18 PolarHBondContact O-N 3.27Å | ||
| 17 | F | 55.2 | Low | 58.8 | Low | 184 Ų | 184 | 159.2 Ų | 159.2 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | trans | -77.5 | 100.6 | 169.8 | -148.7 | -90.5 | 0 | 0 | 0 | 109.2 | V15 Q19 | V15-F17 PolarHBondContact O-N 3.29Å; F17-Q19 PolarHBondContact O-N 3.31Å | ||
| 18 | R | 59.3 | Low | 59.9 | Low | 242 Ų | 242 | 162.4 Ų | 162.4 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -78.4 | 104.6 | 172.1 | -110.4 | -172.6 | 170.5 | -166.5 | -1.6 | 109.1 | F16 | F16-R18 PolarHBondContact O-N 3.27Š| ||
| 19 | Q | 66.3 | Low | 61.3 | Low | 155 Ų | 155 | 163.9 Ų | 163.9 | 72% | 0.724 | 83% | 0.831 | S | S | * | * | trans | -64.2 | 134.9 | 168.6 | -82.7 | -176.6 | -19 | 0 | 0 | 110.3 | F17 F21 | F17-Q19 PolarHBondContact O-N 3.31Å; Q19-F21 PolarHBondContact O-N 3.23Å | ||
| 20 | P | 62.4 | Low | 62.6 | Low | 119 Ų | 119 | 162.3 Ų | 162.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -69.9 | 115.2 | 173.7 | 27.1 | -31.2 | 0 | 0 | 0 | 109.5 | R22 | P20-R22 PolarHBondContact O-N 3.14Å; P20-R22 VanDerWaalsContact O-N 3.15Å | ||
| 21 | F | 62.2 | Low | 64 | Low | 197 Ų | 197 | 154.6 Ų | 154.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 110.1 | 169.8 | -82.5 | -92.5 | 0 | 0 | 0 | 109.1 | Q19 C23 | Q19-F21 PolarHBondContact O-N 3.23Å; F21-C23 PolarHBondContact O-N 3.15Å; F21-C23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | R | 61.5 | Low | 65.1 | Low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -70.8 | 102 | 161.9 | -69 | -173.2 | 178.6 | -156.9 | -0.1 | 107.1 | P20 A24 | P20-R22 PolarHBondContact O-N 3.14Å; P20-R22 VanDerWaalsContact O-N 3.15Å; R22-A24 PolarHBondContact O-N 2.91Å | ||
| 23 | C | 55.6 | Low | 66.3 | Low | 122 Ų | 122 | 153 Ų | 153 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -64.8 | 90.1 | 166.5 | -64.3 | 0 | 0 | 0 | 0 | 108.2 | F21 G25 | F21-C23 PolarHBondContact O-N 3.15Å; F21-C23 VanDerWaalsContact O-N 3.14Å; C23-G25 VanDerWaalsContact C-N 3.26Å; C23-G25 PolarHBondContact O-N 2.83Å | ||
| 24 | A | 64.3 | Low | 67.5 | Low | 90 Ų | 90 | 151.2 Ų | 151.2 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | -65.8 | 92.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107 | R22 V26 | R22-A24 PolarHBondContact O-N 2.91Å; A24-V26 PolarHBondContact O-N 2.94Å | ||
| 25 | G | 63.6 | Low | 68.4 | Low | 73 Ų | 73 | 146.1 Ų | 146.1 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | -57.9 | 107.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | C23 K27 | C23-G25 VanDerWaalsContact C-N 3.26Å; C23-G25 PolarHBondContact O-N 2.83Å; G25-K27 PolarHBondContact O-N 3Å | ||
| 26 | V | 70.8 | Confident | 69.5 | Low | 136 Ų | 136 | 144.4 Ų | 144.4 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | -62.8 | 106.6 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 107.2 | A24 K28 | A24-V26 PolarHBondContact O-N 2.94Å; V26-K28 PolarHBondContact O-N 2.97Å | ||
| 27 | K | 71.7 | Confident | 70.7 | Confident | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | trans | -61.9 | 108.9 | 176.1 | -171.4 | 174.1 | -174.7 | 173 | 0 | 108.1 | G25 K29 | G25-K27 PolarHBondContact O-N 3Å; K27-K29 PolarHBondContact O-N 3.41Å | ||
| 28 | K | 75.9 | Confident | 71.9 | Confident | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | trans | -54 | 134.9 | 176.8 | -68.3 | -173.4 | 178.4 | -178.4 | 0 | 109.5 | V26 K30 | V26-K28 PolarHBondContact O-N 2.97Å; K28-K30 PolarHBondContact O-N 3.03Å | ||
| 29 | K | 77.3 | Confident | 73.1 | Confident | 203 Ų | 203 | 135.5 Ų | 135.5 | 88% | 0.883 | 70% | 0.7 | S | S | * | * | trans | -54.3 | 135 | 172.3 | -164.6 | 175.9 | -176.2 | 179.2 | 0 | 107.7 | K27 N31 | K27-K29 PolarHBondContact O-N 3.41Å; K29-N31 PolarHBondContact O-N 3.24Å | ||
| 30 | K | 74.4 | Confident | 73.8 | Confident | 144 Ų | 144 | 138.7 Ų | 138.7 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | trans | -57.3 | 113.7 | -177.9 | -67.4 | 176 | 179.5 | 177.3 | 0 | 109 | K28 Y32 | K28-K30 PolarHBondContact O-N 3.03Å; K30-Y32 HydrophobicContact CB-CE1 4.26Å; K30-Y32 HydrophobicContact CB-CE2 4.04Å; K30-Y32 HydrophobicContact CD-CE1 4.24Å; K30-Y32 WeakPolarHBondContact CD-OH 3.26Å; K30-Y32 PolarHBondContact O-N 3.49Å | ||
| 31 | N | 78.3 | Confident | 74.8 | Confident | 82 Ų | 82 | 136.9 Ų | 136.9 | 44% | 0.439 | 69% | 0.694 | S | S | . | * | trans | -84.1 | 97.4 | 171.5 | -169.9 | -1.1 | 0 | 0 | 0 | 108.2 | K29 A33 E34 | K29-N31 PolarHBondContact O-N 3.24Å; N31-A33 PolarHBondContact O-N 2.95Å; N31-A33 VanDerWaalsContact OD1-CB 3.26Å; N31-A33 WeakPolarHBondContact OD1-CB 3.22Å; N31-A33 PolarHBondContact OD1-N 3.01Å; N31-E34 PolarHBondContact ND2-OE1 3.4Å | ||
| 32 | Y | 80.2 | Confident | 75.7 | Confident | 94 Ų | 94 | 132.9 Ų | 132.9 | 37% | 0.369 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -11.2 | 179.2 | -65 | -72.1 | 0 | 0 | 0 | 113 | K30 T35 Y39 | K30-Y32 HydrophobicContact CB-CE1 4.26Å; K30-Y32 HydrophobicContact CB-CE2 4.04Å; K30-Y32 HydrophobicContact CD-CE1 4.24Å; K30-Y32 WeakPolarHBondContact CD-OH 3.26Å; K30-Y32 PolarHBondContact O-N 3.49Å; Y32-T35 CarbonylContact O-C 3.56Å; Y32-Y39 HydrophobicContact CD1-CD2 4.17Å; Y32-Y39 HydrophobicContact CD2-CD2 4.21Å; Y32-Y39 HydrophobicContact CE1-CD2 4.48Å; Y32-Y39 HydrophobicContact CE2-CD2 4.5Å; Y32-Y39 HydrophobicContact CG-CD2 4.03Å |
| 33 | A | 81.8 | Confident | 76.6 | Confident | 86 Ų | 86 | 127.7 Ų | 127.7 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -36.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N31 | N31-A33 PolarHBondContact O-N 2.95Å; N31-A33 VanDerWaalsContact OD1-CB 3.26Å; N31-A33 WeakPolarHBondContact OD1-CB 3.22Å; N31-A33 PolarHBondContact OD1-N 3.01Å |
| 34 | E | 80.4 | Confident | 77.8 | Confident | 152 Ų | 152 | 129.3 Ų | 129.3 | 71% | 0.71 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -27.2 | -179.9 | -70.2 | 167.9 | -144.2 | 0 | 0 | 112.7 | N31 | N31-E34 PolarHBondContact ND2-OE1 3.4Š|
| 35 | T | 79.9 | Confident | 78.6 | Confident | 46 Ų | 46 | 130.5 Ų | 130.5 | 28% | 0.282 | 68% | 0.683 | S | S | . | * | trans | -133.9 | 75.8 | -179.3 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | Y32 S37 R38 | Y32-T35 CarbonylContact O-C 3.56Å; T35-S37 PolarHBondContact O-N 2.87Å; T35-R38 PolarHBondContact O-N 3.34Å; T35-R38 VanDerWaalsContact O-N 3.08Å | ||
| 36 | P | 80.3 | Confident | 79.1 | Confident | 96 Ų | 96 | 135.7 Ų | 135.7 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -61.9 | -30.5 | -177.4 | 23.6 | -33.6 | 0 | 0 | 0 | 112.3 | R38 Y39 | P36-R38 PolarHBondContact O-N 3.17Å; P36-R38 VanDerWaalsContact O-N 3.14Å; P36-Y39 WeakPolarHBondContact O-CB 3.12Å; P36-Y39 PolarHBondContact O-N 3.28Å |
| 37 | S | 82.7 | Confident | 79.2 | Confident | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -62.5 | -18.9 | 176.4 | 59 | 0 | 0 | 0 | 0 | 114.6 | T35 | T35-S37 PolarHBondContact O-N 2.87Š|
| 38 | R | 80.6 | Confident | 79.7 | Confident | 183 Ų | 183 | 131.2 Ų | 131.2 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -87.5 | -12.3 | 175.5 | -68.5 | -173.9 | 177.7 | 172.4 | -1.2 | 113.1 | T35 P36 R40 | T35-R38 PolarHBondContact O-N 3.34Å; T35-R38 VanDerWaalsContact O-N 3.08Å; P36-R38 PolarHBondContact O-N 3.17Å; P36-R38 VanDerWaalsContact O-N 3.14Å; R38-R40 PolarHBondContact O-N 3.01Å |
| 39 | Y | 84.1 | Confident | 80.4 | Confident | 135 Ų | 135 | 128.1 Ų | 128.1 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | trans | -74.2 | 115.8 | 174.9 | -178 | -108 | 0 | 0 | 0 | 109.1 | Y32 P36 P41 | Y32-Y39 HydrophobicContact CD1-CD2 4.17Å; Y32-Y39 HydrophobicContact CD2-CD2 4.21Å; Y32-Y39 HydrophobicContact CE1-CD2 4.48Å; Y32-Y39 HydrophobicContact CE2-CD2 4.5Å; Y32-Y39 HydrophobicContact CG-CD2 4.03Å; P36-Y39 WeakPolarHBondContact O-CB 3.12Å; P36-Y39 PolarHBondContact O-N 3.28Å; Y39-P41 HydrophobicContact CE1-CB 3.75Å; Y39-P41 HydrophobicContact CE1-CG 4.15Å | ||
| 40 | R | 81.7 | Confident | 81.2 | Confident | 222 Ų | 222 | 119.8 Ų | 119.8 | 84% | 0.838 | 62% | 0.622 | S | S | * | * | trans | -112 | 102.6 | 168.7 | -67 | -177 | -178.8 | 171.3 | -1.2 | 106.1 | R38 S42 | R38-R40 PolarHBondContact O-N 3.01Å; R40-S42 PolarHBondContact O-N 3.1Å | ||
| 41 | P | 82.6 | Confident | 82.2 | Confident | 80 Ų | 80 | 117.4 Ų | 117.4 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | trans | -56.1 | 144.3 | 175.3 | 24.6 | -31.9 | 0 | 0 | 0 | 108.4 | Y39 V43 | Y39-P41 HydrophobicContact CE1-CB 3.75Å; Y39-P41 HydrophobicContact CE1-CG 4.15Å; P41-V43 PolarHBondContact O-N 2.84Å; P41-V43 VanDerWaalsContact O-N 3.14Å | ||
| 42 | S | 81.7 | Confident | 83 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 80% | 0.797 | 61% | 0.611 | S | S | * | * | trans | -56.6 | 123.6 | 171.1 | 50.5 | 0 | 0 | 0 | 0 | 108.2 | R40 L44 | R40-S42 PolarHBondContact O-N 3.1Å; S42-L44 PolarHBondContact O-N 3.38Å; S42-L44 VanDerWaalsContact O-N 3.08Å | ||
| 43 | V | 81.7 | Confident | 83.7 | Confident | 130 Ų | 130 | 115.5 Ų | 115.5 | 79% | 0.788 | 60% | 0.603 | S | S | * | * | trans | -62.2 | 115.4 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 106.8 | P41 V45 | P41-V43 PolarHBondContact O-N 2.84Å; P41-V43 VanDerWaalsContact O-N 3.14Å; V43-V45 PolarHBondContact O-N 3.28Å | ||
| 44 | L | 80.5 | Confident | 84.4 | Confident | 156 Ų | 156 | 117.2 Ų | 117.2 | 82% | 0.817 | 60% | 0.6 | S | S | * | * | trans | -68 | 97.5 | 175.2 | -175.5 | 72.9 | 0 | 0 | 0 | 108 | S42 K46 | S42-L44 PolarHBondContact O-N 3.38Å; S42-L44 VanDerWaalsContact O-N 3.08Å; L44-K46 PolarHBondContact O-N 3.44Å | ||
| 45 | V | 79.6 | Confident | 85.2 | Confident | 115 Ų | 115 | 114.9 Ų | 114.9 | 70% | 0.697 | 59% | 0.592 | S | S | * | * | trans | -72 | 119.1 | 168.2 | -178 | 0 | 0 | 0 | 0 | 106.5 | V43 T47 | V43-V45 PolarHBondContact O-N 3.28Å; V45-T47 PolarHBondContact O-N 3.44Å | ||
| 46 | K | 73.9 | Confident | 85.9 | Confident | 182 Ų | 182 | 114.5 Ų | 114.5 | 79% | 0.791 | 60% | 0.598 | S | S | * | * | trans | -59.1 | 107.5 | 173.7 | -69.2 | -177.5 | 178.5 | -178.9 | 0 | 107.9 | L44 L48 | L44-K46 PolarHBondContact O-N 3.44Å; K46-L48 PolarHBondContact O-N 2.95Å | ||
| 47 | T | 73.9 | Confident | 86.8 | Confident | 82 Ų | 82 | 112.9 Ų | 112.9 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | trans | -69.6 | 116.3 | 166.8 | 52.9 | 0 | 0 | 0 | 0 | 106.5 | V45 R49 | V45-T47 PolarHBondContact O-N 3.44Å; T47-R49 VanDerWaalsContact C-N 3.27Å; T47-R49 PolarHBondContact O-N 3.39Å; T47-R49 VanDerWaalsContact OG1-CZ 3.3Å; T47-R49 PolarHBondContact OG1-NE 3.07Å; T47-R49 PolarHBondContact OG1-NH1 3.36Å | ||
| 48 | L | 82.2 | Confident | 87.5 | Confident | 149 Ų | 149 | 112.1 Ų | 112.1 | 78% | 0.78 | 57% | 0.565 | S | S | * | * | trans | -66.4 | 88.9 | 176.9 | -62.1 | 177 | 0 | 0 | 0 | 109 | K46 R67 | K46-L48 PolarHBondContact O-N 2.95Å; L48-R67 WeakPolarHBondContact O-CD 3.41Å | ||
| 49 | R | 90.5 | Very high | 88.3 | Confident | 129 Ų | 129 | 103.4 Ų | 103.4 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | trans | -104.4 | 158.7 | 178.1 | -72.9 | -171.5 | -174.5 | 129.2 | 1.6 | 109.9 | T47 R67 L69 | T47-R49 VanDerWaalsContact C-N 3.27Å; T47-R49 PolarHBondContact O-N 3.39Å; T47-R49 VanDerWaalsContact OG1-CZ 3.3Å; T47-R49 PolarHBondContact OG1-NE 3.07Å; T47-R49 PolarHBondContact OG1-NH1 3.36Å; R49-R67 CarbonylContact C-O 3.38Å; R49-R67 WeakPolarHBondContact CA-O 3.34Å; R49-R67 VanDerWaalsContact CB-O 3.26Å; R49-R67 WeakPolarHBondContact CB-O 3.26Å; R49-R67 HydrophobicContact CG-CB 4.36Å; R49-L69 VanDerWaalsContact CZ-CD2 3.41Å; R49-L69 VanDerWaalsContact NH1-CG 3.26Å | ||
| 50 | G | 93.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 103.6 Ų | 103.6 | 29% | 0.289 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 117.4 | -170.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q52 R67 | G50-Q52 PolarHBondContact O-NE2 3.44Å; G50-Q52 VanDerWaalsContact O-NE2 3.16Å; G50-R67 PolarHBondContact N-O 3.48Å; G50-R67 PolarHBondContact O-N 3.02Å |
| 51 | F | 95.4 | Very high | 89.6 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 137.3 | 175.2 | -64.7 | -79.6 | 0 | 0 | 0 | 111.2 | V66 I73 F96 I98 V126 | F51-V66 HydrophobicContact CD1-CG2 3.49Å; F51-V66 VanDerWaalsContact CD1-CG2 3.49Å; F51-V66 HydrophobicContact CE1-CG2 3.65Å; F51-V66 HydrophobicContact CG-CG2 4.4Å; F51-I73 HydrophobicContact CE1-CD1 3.79Å; F51-I73 HydrophobicContact CE2-CD1 3.78Å; F51-I73 HydrophobicContact CZ-CD1 3.27Å; F51-I73 HydrophobicContact CZ-CG1 4.16Å; F51-F96 AromaticContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CE1-CZ 4.12Å; F51-I98 HydrophobicContact CD1-CD1 3.98Å; F51-I98 HydrophobicContact CE1-CD1 3.56Å; F51-I98 HydrophobicContact CE1-CG1 4.14Å; F51-I98 HydrophobicContact CZ-CD1 3.87Å; F51-V126 HydrophobicContact CE1-CG2 3.94Å |
| 52 | Q | 95.3 | Very high | 90.3 | Very high | 91 Ų | 91 | 98.5 Ų | 98.5 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -96.1 | -15.7 | 173.5 | -56.8 | -56.9 | -67.4 | 0 | 0 | 112.3 | G50 I64 L65 | G50-Q52 PolarHBondContact O-NE2 3.44Å; G50-Q52 VanDerWaalsContact O-NE2 3.16Å; Q52-I64 VanDerWaalsContact CB-O 3.3Å; Q52-I64 WeakPolarHBondContact CB-O 3.45Å; Q52-I64 WeakPolarHBondContact CG-O 3.35Å; Q52-L65 PolarHBondContact N-O 3.33Å |
| 53 | F | 96 | Very high | 91.1 | Very high | 46 Ų | 46 | 95.5 Ų | 95.5 | 20% | 0.202 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -132.6 | 151.6 | -176 | -61.2 | -85.2 | 0 | 0 | 0 | 110 | D57 V59 D63 I64 L65 F96 | F53-D57 HydrophobicContact CB-CB 4.12Å; F53-D57 HydrophobicContact CD1-CB 4.19Å; F53-V59 HydrophobicContact CB-CG1 4.34Å; F53-V59 HydrophobicContact CD1-CG1 3.66Å; F53-V59 HydrophobicContact CD2-CG1 3.78Å; F53-V59 HydrophobicContact CE1-CG1 3.79Å; F53-V59 HydrophobicContact CE2-CG1 3.91Å; F53-V59 HydrophobicContact CG-CG1 3.65Å; F53-V59 HydrophobicContact CZ-CG1 3.91Å; F53-D63 HydrophobicContact CE2-CB 4.05Å; F53-D63 HydrophobicContact CZ-CB 3.99Å; F53-I64 WeakPolarHBondContact CE2-O 3.3Å; F53-L65 HydrophobicContact CD2-CD2 4Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; F53-F96 HydrophobicContact CB-CD1 4.15Å; F53-F96 HydrophobicContact CB-CE1 4.48Å; F53-F96 HydrophobicContact CB-CG 4.2Å |
| 54 | N | 96.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 91.7 Ų | 91.7 | 65% | 0.647 | 47% | 0.472 | S | S | * | . | trans | -89.8 | 159.5 | 170.6 | -57.2 | -63.4 | 0 | 0 | 0 | 110.3 | G56 D57 F96 | N54-G56 PolarHBondContact O-N 3.22Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact N-OD2 3.1Å; N54-D57 VanDerWaalsContact O-CB 3.29Å; N54-D57 WeakPolarHBondContact O-CB 3.42Å; N54-D57 PolarHBondContact O-N 3.46Å; N54-F96 VanDerWaalsContact O-CD1 3.25Å; N54-F96 WeakPolarHBondContact O-CD1 3.39Å | ||
| 55 | D | 96.5 | Very high | 92.6 | Very high | 103 Ų | 103 | 84.3 Ų | 84.3 | 55% | 0.551 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 125.8 | 176.4 | -163.5 | 42.7 | 0 | 0 | 0 | 111.1 | T97 I98 | D55-T97 WeakPolarHBondContact OD1-CA 3.34Å; D55-I98 PolarHBondContact OD1-N 2.89Å |
| 56 | G | 96.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 78.9 Ų | 78.9 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -8.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | N54 F96 | N54-G56 PolarHBondContact O-N 3.22Å; G56-F96 WeakPolarHBondContact CA-O 3.3Å; G56-F96 PolarHBondContact N-O 3.5Å |
| 57 | D | 97.4 | Very high | 94.4 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | trans | -64.4 | 147.5 | 177 | -75.2 | -17.3 | 0 | 0 | 0 | 111.5 | F53 N54 F96 | F53-D57 HydrophobicContact CB-CB 4.12Å; F53-D57 HydrophobicContact CD1-CB 4.19Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact N-OD2 3.1Å; N54-D57 VanDerWaalsContact O-CB 3.29Å; N54-D57 WeakPolarHBondContact O-CB 3.42Å; N54-D57 PolarHBondContact O-N 3.46Å; D57-F96 WeakPolarHBondContact O-CB 3.22Å; D57-F96 PolarHBondContact O-N 3.28Å | ||
| 58 | Y | 97.6 | Very high | 95.3 | Very high | 93 Ų | 93 | 71.4 Ų | 71.4 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.7 | 174.8 | -160.5 | -93 | 0 | 0 | 0 | 110.7 | Y60 N93 D131 | Y58-Y60 HydrophobicContact CD1-CE1 4.27Å; Y58-Y60 HydrophobicContact CD1-CE2 4.22Å; Y58-Y60 HydrophobicContact CE1-CD1 4.22Å; Y58-Y60 AromaticContact CE1-CE1 3.84Å; Y58-Y60 HydrophobicContact CE1-CE1 3.84Å; Y58-N93 HydrophobicContact CE1-CB 4.43Å; Y58-D131 VanDerWaalsContact CE2-OD2 3.26Å; Y58-D131 WeakPolarHBondContact CE2-OD2 3.25Å; Y58-D131 PolarHBondContact OH-OD2 3.32Å |
| 59 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.1 | 180 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | F53 L65 A90 N93 G94 F96 V128 | F53-V59 HydrophobicContact CB-CG1 4.34Å; F53-V59 HydrophobicContact CD1-CG1 3.66Å; F53-V59 HydrophobicContact CD2-CG1 3.78Å; F53-V59 HydrophobicContact CE1-CG1 3.79Å; F53-V59 HydrophobicContact CE2-CG1 3.91Å; F53-V59 HydrophobicContact CG-CG1 3.65Å; F53-V59 HydrophobicContact CZ-CG1 3.91Å; V59-L65 HydrophobicContact CB-CD2 4.1Å; V59-L65 HydrophobicContact CG1-CD2 3.8Å; V59-L65 HydrophobicContact CG2-CD2 4.18Å; V59-A90 HydrophobicContact CG2-CB 4.43Å; V59-N93 WeakPolarHBondContact O-CA 3.4Å; V59-G94 WeakPolarHBondContact CG2-O 3.23Å; V59-G94 PolarHBondContact N-O 3.42Å; V59-G94 PolarHBondContact O-N 2.93Å; V59-F96 HydrophobicContact CG1-CB 3.83Å; V59-F96 HydrophobicContact CG2-CB 4.33Å; V59-V128 HydrophobicContact CG2-CB 4.3Å; V59-V128 HydrophobicContact CG2-CG1 3.58Å; V59-V128 HydrophobicContact CG2-CG2 3.71Å |
| 60 | Y | 97.5 | Very high | 95.7 | Very high | 140 Ų | 140 | 64.4 Ų | 64.4 | 55% | 0.549 | 34% | 0.337 | S | S | . | . | trans | -101.5 | 154.3 | 175.6 | -63.9 | -84.3 | 0 | 0 | 0 | 110.8 | Y58 G62 D63 A90 | Y58-Y60 HydrophobicContact CD1-CE1 4.27Å; Y58-Y60 HydrophobicContact CD1-CE2 4.22Å; Y58-Y60 HydrophobicContact CE1-CD1 4.22Å; Y58-Y60 AromaticContact CE1-CE1 3.84Å; Y58-Y60 HydrophobicContact CE1-CE1 3.84Å; Y60-G62 PolarHBondContact O-N 3.45Å; Y60-D63 PolarHBondContact N-OD2 3.14Å; Y60-D63 VanDerWaalsContact O-CB 3.31Å; Y60-D63 WeakPolarHBondContact O-CB 3.47Å; Y60-D63 PolarHBondContact O-N 3.08Å; Y60-A90 WeakPolarHBondContact O-CB 3.33Å | ||
| 61 | K | 97.2 | Very high | 95.5 | Very high | 148 Ų | 148 | 67.2 Ų | 67.2 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 125.4 | 172.6 | 176.9 | 176.3 | -177.1 | 178.8 | 0 | 110.2 | L91 S92 N93 | K61-L91 WeakPolarHBondContact CD-O 3.33Å; K61-L91 WeakPolarHBondContact CE-O 3.36Å; K61-L91 WeakPolarHBondContact CG-O 3.15Å; K61-S92 PolarHBondContact N-O 3.26Å; K61-N93 WeakPolarHBondContact CB-OD1 3.45Å; K61-N93 PolarHBondContact N-OD1 3.46Å |
| 62 | G | 97.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 68.9 Ų | 68.9 | 49% | 0.485 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -7.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y60 A90 | Y60-G62 PolarHBondContact O-N 3.45Å; G62-A90 PolarHBondContact N-O 3.11Å |
| 63 | D | 97.3 | Very high | 95.3 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | trans | -67.2 | 140.7 | 175.3 | -73.6 | -21.3 | 0 | 0 | 0 | 111.5 | F53 Y60 L65 V89 A90 | F53-D63 HydrophobicContact CE2-CB 4.05Å; F53-D63 HydrophobicContact CZ-CB 3.99Å; Y60-D63 PolarHBondContact N-OD2 3.14Å; Y60-D63 VanDerWaalsContact O-CB 3.31Å; Y60-D63 WeakPolarHBondContact O-CB 3.47Å; Y60-D63 PolarHBondContact O-N 3.08Å; D63-L65 PolarHBondContact O-N 3.25Å; D63-V89 VanDerWaalsContact O-CA 3.32Å; D63-V89 WeakPolarHBondContact O-CA 3.37Å; D63-A90 PolarHBondContact O-N 3.24Å | ||
| 64 | I | 96.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 64.5 Ų | 64.5 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 111.7 | 173.7 | -62.2 | 168.7 | 0 | 0 | 0 | 107.8 | Q52 F53 R67 N87 L88 V89 | Q52-I64 VanDerWaalsContact CB-O 3.3Å; Q52-I64 WeakPolarHBondContact CB-O 3.45Å; Q52-I64 WeakPolarHBondContact CG-O 3.35Å; F53-I64 WeakPolarHBondContact CE2-O 3.3Å; I64-R67 HydrophobicContact CG2-CG 3.69Å; I64-N87 HydrophobicContact CG2-CB 4.09Å; I64-L88 CarbonylContact C-O 3.55Å; I64-V89 HydrophobicContact CG1-CG2 4.22Å |
| 65 | L | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -45.8 | -177.3 | -57.6 | -178.7 | 0 | 0 | 0 | 111.7 | Q52 F53 V59 D63 V79 L88 A90 F96 V126 V128 | Q52-L65 PolarHBondContact N-O 3.33Å; F53-L65 HydrophobicContact CD2-CD2 4Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; V59-L65 HydrophobicContact CB-CD2 4.1Å; V59-L65 HydrophobicContact CG1-CD2 3.8Å; V59-L65 HydrophobicContact CG2-CD2 4.18Å; D63-L65 PolarHBondContact O-N 3.25Å; L65-V79 HydrophobicContact CD1-CB 4.48Å; L65-V79 HydrophobicContact CD1-CG1 4.06Å; L65-V79 HydrophobicContact CD1-CG2 3.57Å; L65-L88 HydrophobicContact CB-CB 4.36Å; L65-L88 PolarHBondContact N-O 2.97Å; L65-A90 HydrophobicContact CD1-CB 4.3Å; L65-A90 HydrophobicContact CD2-CB 4.14Å; L65-A90 HydrophobicContact CG-CB 4.31Å; L65-F96 HydrophobicContact CB-CD2 4.37Å; L65-F96 HydrophobicContact CB-CE2 4.02Å; L65-F96 HydrophobicContact CD1-CD2 4.22Å; L65-F96 HydrophobicContact CD1-CE2 4.41Å; L65-F96 HydrophobicContact CD2-CD2 3.91Å; L65-F96 HydrophobicContact CD2-CE2 4.4Å; L65-F96 HydrophobicContact CG-CD2 4.4Å; L65-V126 HydrophobicContact CB-CG1 4.29Å; L65-V126 HydrophobicContact CD1-CG1 3.66Å; L65-V128 HydrophobicContact CD1-CG2 3.69Å; L65-V128 HydrophobicContact CD2-CG2 4.46Å |
| 66 | V | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 130.4 | -176.2 | -174.4 | 0 | 0 | 0 | 0 | 109.5 | F51 Q68 I73 N87 L88 V126 | F51-V66 HydrophobicContact CD1-CG2 3.49Å; F51-V66 VanDerWaalsContact CD1-CG2 3.49Å; F51-V66 HydrophobicContact CE1-CG2 3.65Å; F51-V66 HydrophobicContact CG-CG2 4.4Å; V66-Q68 HydrophobicContact CG1-CB 4.18Å; V66-Q68 HydrophobicContact CG1-CG 4.33Å; V66-I73 HydrophobicContact CG1-CD1 3.71Å; V66-I73 HydrophobicContact CG2-CD1 4.41Å; V66-N87 WeakPolarHBondContact O-CA 3.36Å; V66-L88 HydrophobicContact CB-CB 4.15Å; V66-L88 HydrophobicContact CB-CD1 4.12Å; V66-L88 HydrophobicContact CB-CG 4.32Å; V66-L88 HydrophobicContact CG2-CB 4.5Å; V66-L88 HydrophobicContact CG2-CD1 4.1Å; V66-L88 PolarHBondContact O-N 2.98Å; V66-V126 HydrophobicContact CG2-CG2 4.15Å |
| 67 | R | 95.6 | Very high | 95.4 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 109.4 | 169.1 | -68.5 | 177 | 176.8 | -95.2 | 1.7 | 108.9 | L48 R49 G50 I64 N87 | L48-R67 WeakPolarHBondContact O-CD 3.41Å; R49-R67 CarbonylContact C-O 3.38Å; R49-R67 WeakPolarHBondContact CA-O 3.34Å; R49-R67 VanDerWaalsContact CB-O 3.26Å; R49-R67 WeakPolarHBondContact CB-O 3.26Å; R49-R67 HydrophobicContact CG-CB 4.36Å; G50-R67 PolarHBondContact N-O 3.48Å; G50-R67 PolarHBondContact O-N 3.02Å; I64-R67 HydrophobicContact CG2-CG 3.69Å; R67-N87 WeakPolarHBondContact CA-OD1 3.33Å |
| 68 | Q | 93 | Very high | 95.4 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | trans | -130.9 | 167.3 | -174.7 | 56.2 | -179.6 | -10.1 | 0 | 0 | 112.7 | V66 G70 I73 W86 | V66-Q68 HydrophobicContact CG1-CB 4.18Å; V66-Q68 HydrophobicContact CG1-CG 4.33Å; Q68-G70 WeakPolarHBondContact CG-O 3.1Å; Q68-I73 PolarHBondContact NE2-O 3.48Å; Q68-W86 WeakPolarHBondContact CG-O 3.32Å | ||
| 69 | L | 90.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 55% | 0.55 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -105.1 | 116.1 | 166.8 | -78.8 | -176 | 0 | 0 | 0 | 108.7 | R49 | R49-L69 VanDerWaalsContact CZ-CD2 3.41Å; R49-L69 VanDerWaalsContact NH1-CG 3.26Å |
| 70 | G | 89.8 | Confident | 95.4 | Very high | 27 Ų | 27 | 60 Ų | 60 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 69.4 | -159.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q68 | Q68-G70 WeakPolarHBondContact CG-O 3.1Š|
| 71 | M | 89 | Confident | 95.3 | Very high | 87 Ų | 87 | 55.8 Ų | 55.8 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -109.1 | 71.6 | -170.8 | -164.6 | 165.5 | 61.6 | 0 | 0 | 110.6 | Y74 W86 | M71-Y74 HydrophobicContact CE-CD1 4.41Å; M71-Y74 HydrophobicContact CE-CE1 3.52Å; M71-Y74 HydrophobicContact CG-CD1 4.18Å; M71-Y74 HydrophobicContact CG-CD2 4.45Å; M71-Y74 HydrophobicContact CG-CE1 3.96Å; M71-Y74 HydrophobicContact CG-CE2 4.21Å; M71-Y74 HydrophobicContact CG-CG 4.43Å; M71-Y74 HydrophobicContact SD-CD1 4.04Å; M71-Y74 HydrophobicContact SD-CE1 3.72Å; M71-W86 HydrophobicContact CB-CE3 4.47Å; M71-W86 HydrophobicContact CB-CZ3 4.11Å |
| 72 | E | 91.3 | Very high | 95.2 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -80.4 | -45 | 173.8 | -66.2 | -178.6 | 172.1 | 0 | 0 | 110.6 | ||
| 73 | I | 95.7 | Very high | 95 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -111.1 | 133.1 | 177.4 | -61.6 | 153.6 | 0 | 0 | 0 | 108.7 | F51 V66 Q68 L88 P124 V126 | F51-I73 HydrophobicContact CE1-CD1 3.79Å; F51-I73 HydrophobicContact CE2-CD1 3.78Å; F51-I73 HydrophobicContact CZ-CD1 3.27Å; F51-I73 HydrophobicContact CZ-CG1 4.16Å; V66-I73 HydrophobicContact CG1-CD1 3.71Å; V66-I73 HydrophobicContact CG2-CD1 4.41Å; Q68-I73 PolarHBondContact NE2-O 3.48Å; I73-L88 HydrophobicContact CB-CD1 4.22Å; I73-L88 HydrophobicContact CG2-CD1 3.75Å; I73-P124 HydrophobicContact CG1-CG 4.06Å; I73-V126 HydrophobicContact CG2-CB 4.27Å; I73-V126 HydrophobicContact CG2-CG2 3.45Å; I73-V126 VanDerWaalsContact CG2-CG2 3.45Å |
| 74 | Y | 95.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 145.9 | -174.9 | -75.1 | -106.4 | 0 | 0 | 0 | 111.3 | M71 G76 L103 K123 P124 F125 V126 | M71-Y74 HydrophobicContact CE-CD1 4.41Å; M71-Y74 HydrophobicContact CE-CE1 3.52Å; M71-Y74 HydrophobicContact CG-CD1 4.18Å; M71-Y74 HydrophobicContact CG-CD2 4.45Å; M71-Y74 HydrophobicContact CG-CE1 3.96Å; M71-Y74 HydrophobicContact CG-CE2 4.21Å; M71-Y74 HydrophobicContact CG-CG 4.43Å; M71-Y74 HydrophobicContact SD-CD1 4.04Å; M71-Y74 HydrophobicContact SD-CE1 3.72Å; Y74-G76 PolarHBondContact O-N 2.82Å; Y74-L103 HydrophobicContact CD1-CD1 3.91Å; Y74-L103 HydrophobicContact CE1-CD1 3.6Å; Y74-L103 HydrophobicContact CG-CD1 4.49Å; Y74-K123 HydrophobicContact CD2-CB 3.76Å; Y74-K123 HydrophobicContact CD2-CD 4.45Å; Y74-K123 HydrophobicContact CD2-CG 4.03Å; Y74-K123 HydrophobicContact CE2-CB 3.95Å; Y74-K123 HydrophobicContact CE2-CD 3.91Å; Y74-K123 HydrophobicContact CE2-CG 3.67Å; Y74-P124 PolarHBondContact N-O 3.34Å; Y74-F125 VanDerWaalsContact CB-CD1 3.45Å; Y74-F125 HydrophobicContact CD1-CE1 4.39Å; Y74-F125 HydrophobicContact CD1-CZ 4.39Å; Y74-F125 HydrophobicContact CG-CE1 4.11Å; Y74-F125 HydrophobicContact CG-CZ 4.11Å; Y74-F125 WeakPolarHBondContact O-CA 3.39Å; Y74-V126 PolarHBondContact O-N 3Å; Y74-V126 VanDerWaalsContact O-N 3.11Å |
| 75 | P | 97 | Very high | 94.6 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 126.4 | 171.3 | 28.8 | -32.5 | 0 | 0 | 0 | 109.8 | V79 L81 L88 F125 | P75-V79 HydrophobicContact CB-CB 4.34Å; P75-V79 HydrophobicContact CB-CG1 4.09Å; P75-L81 HydrophobicContact CG-CB 4.43Å; P75-L88 HydrophobicContact CB-CD2 3.97Å; P75-L88 HydrophobicContact CG-CD2 4.48Å; P75-F125 WeakPolarHBondContact O-CD1 3.48Å |
| 76 | G | 96.8 | Very high | 94.4 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | trans | -100.3 | -142.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y74 V126 | Y74-G76 PolarHBondContact O-N 2.82Å; G76-V126 WeakPolarHBondContact CA-O 3.22Å; G76-V126 PolarHBondContact N-O 2.85Å | ||
| 77 | E | 96.6 | Very high | 94.4 | Very high | 120 Ų | 120 | 66.3 Ų | 66.3 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 133.4 | -178 | -174.9 | 173.6 | -175.6 | 0 | 0 | 112 | V79 H127 V128 | E77-V79 PolarHBondContact O-N 2.83Å; E77-H127 HydrophobicContact CB-CB 4.32Å; E77-H127 PolarHBondContact N-ND1 3.37Å; E77-H127 WeakPolarHBondContact O-CA 3.32Å; E77-V128 PolarHBondContact O-N 2.74Å |
| 78 | S | 97.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 32 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 115 | L91 S92 V128 | S78-L91 WeakPolarHBondContact O-CB 3.18Å; S78-L91 PolarHBondContact O-N 3.43Å; S78-S92 WeakPolarHBondContact CB-OG 3.38Å; S78-S92 PolarHBondContact OG-OG 2.9Å; S78-V128 WeakPolarHBondContact CB-O 3.19Å; S78-V128 PolarHBondContact OG-O 2.94Å |
| 79 | V | 97.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.9 | 176.8 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | L65 P75 E77 L88 V126 V128 | L65-V79 HydrophobicContact CD1-CB 4.48Å; L65-V79 HydrophobicContact CD1-CG1 4.06Å; L65-V79 HydrophobicContact CD1-CG2 3.57Å; P75-V79 HydrophobicContact CB-CB 4.34Å; P75-V79 HydrophobicContact CB-CG1 4.09Å; E77-V79 PolarHBondContact O-N 2.83Å; V79-L88 HydrophobicContact CG1-CB 3.89Å; V79-L88 HydrophobicContact CG1-CD2 4.14Å; V79-L88 HydrophobicContact CG1-CG 4.45Å; V79-V126 HydrophobicContact CG2-CG1 4.22Å; V79-V126 WeakPolarHBondContact CG2-O 3.42Å; V79-V128 HydrophobicContact CG2-CG2 3.89Å |
| 80 | K | 97 | Very high | 95.1 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.7 | 170.4 | 65.4 | 166.6 | -175.3 | 146.4 | 0 | 111.2 | D82 L88 V89 L91 | K80-D82 VanDerWaalsContact CE-OD1 3.26Å; K80-D82 WeakPolarHBondContact CE-OD1 3.26Å; K80-D82 IonicContact NZ-OD1 2.74Å; K80-D82 PolarHBondContact NZ-OD1 3.14Å; K80-D82 IonicContact NZ-OD2 3.05Å; K80-L88 WeakPolarHBondContact O-CA 3.36Å; K80-V89 HydrophobicContact CD-CB 4.48Å; K80-V89 HydrophobicContact CG-CB 3.92Å; K80-V89 HydrophobicContact CG-CG1 4.49Å; K80-V89 PolarHBondContact N-O 2.91Å; K80-V89 PolarHBondContact O-N 2.86Å; K80-L91 HydrophobicContact CB-CD1 4.16Å; K80-L91 HydrophobicContact CB-CD2 3.9Å; K80-L91 HydrophobicContact CB-CG 4.06Å; K80-L91 HydrophobicContact CD-CD2 3.85Å; K80-L91 HydrophobicContact CG-CD2 3.79Å; K80-L91 HydrophobicContact CG-CG 4.2Å |
| 81 | L | 96.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.272 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.9 | 167 | 179.8 | 71.6 | 0 | 0 | 0 | 109.2 | P75 P83 W86 L88 | P75-L81 HydrophobicContact CG-CB 4.43Å; L81-P83 WeakPolarHBondContact O-CD 3.44Å; L81-W86 HydrophobicContact CD1-CE3 4.25Å; L81-W86 HydrophobicContact CD2-CE3 4.02Å; L81-W86 HydrophobicContact CD2-CZ3 3.93Å; L81-L88 HydrophobicContact CB-CD2 4.17Å; L81-L88 HydrophobicContact CD1-CD2 3.71Å |
| 82 | D | 95.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | trans | -85 | 114.8 | 173.2 | -74.8 | -22.2 | 0 | 0 | 0 | 110.1 | K80 E84 T85 W86 N87 V89 | K80-D82 VanDerWaalsContact CE-OD1 3.26Å; K80-D82 WeakPolarHBondContact CE-OD1 3.26Å; K80-D82 IonicContact NZ-OD1 2.74Å; K80-D82 PolarHBondContact NZ-OD1 3.14Å; K80-D82 IonicContact NZ-OD2 3.05Å; D82-E84 VanDerWaalsContact C-N 3.28Å; D82-E84 PolarHBondContact O-N 3.08Å; D82-T85 PolarHBondContact O-N 3.48Å; D82-W86 VanDerWaalsContact O-CA 3.3Å; D82-W86 WeakPolarHBondContact O-CA 3.42Å; D82-W86 PolarHBondContact O-N 2.78Å; D82-N87 PolarHBondContact N-O 2.93Å; D82-V89 WeakPolarHBondContact OD2-CG2 3.41Å | ||
| 83 | P | 92 | Very high | 96 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 67% | 0.669 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -22.3 | -170.9 | 27.1 | -35.2 | 0 | 0 | 0 | 114.1 | L81 | L81-P83 WeakPolarHBondContact O-CD 3.44Š|
| 84 | E | 92.5 | Very high | 96.1 | Very high | 183 Ų | 183 | 53.3 Ų | 53.3 | 86% | 0.855 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -36.2 | 179.5 | -62.9 | -177.1 | 175.9 | 0 | 0 | 112.5 | D82 | D82-E84 VanDerWaalsContact C-N 3.28Å; D82-E84 PolarHBondContact O-N 3.08Å |
| 85 | T | 92.3 | Very high | 96.2 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -13.4 | -171.1 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | D82 N87 | D82-T85 PolarHBondContact O-N 3.48Å; T85-N87 VanDerWaalsContact CB-ND2 3.34Å; T85-N87 WeakPolarHBondContact CB-ND2 3.32Å; T85-N87 PolarHBondContact O-N 2.89Å; T85-N87 PolarHBondContact OG1-N 2.78Å; T85-N87 PolarHBondContact OG1-ND2 3.36Å |
| 86 | W | 94.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | trans | 61.6 | 18.5 | -170.2 | -62.8 | 87.4 | 0 | 0 | 0 | 114.3 | Q68 M71 L81 D82 | Q68-W86 WeakPolarHBondContact CG-O 3.32Å; M71-W86 HydrophobicContact CB-CE3 4.47Å; M71-W86 HydrophobicContact CB-CZ3 4.11Å; L81-W86 HydrophobicContact CD1-CE3 4.25Å; L81-W86 HydrophobicContact CD2-CE3 4.02Å; L81-W86 HydrophobicContact CD2-CZ3 3.93Å; D82-W86 VanDerWaalsContact O-CA 3.3Å; D82-W86 WeakPolarHBondContact O-CA 3.42Å; D82-W86 PolarHBondContact O-N 2.78Å | ||
| 87 | N | 96.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | trans | -78.2 | 144.8 | 176.6 | -64.9 | -29.9 | 0 | 0 | 0 | 110.9 | I64 V66 R67 D82 T85 | I64-N87 HydrophobicContact CG2-CB 4.09Å; V66-N87 WeakPolarHBondContact O-CA 3.36Å; R67-N87 WeakPolarHBondContact CA-OD1 3.33Å; D82-N87 PolarHBondContact N-O 2.93Å; T85-N87 VanDerWaalsContact CB-ND2 3.34Å; T85-N87 WeakPolarHBondContact CB-ND2 3.32Å; T85-N87 PolarHBondContact O-N 2.89Å; T85-N87 PolarHBondContact OG1-N 2.78Å; T85-N87 PolarHBondContact OG1-ND2 3.36Å | ||
| 88 | L | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.6 | 167.4 | -64 | -179.8 | 0 | 0 | 0 | 109.3 | I64 L65 V66 I73 P75 V79 K80 L81 V126 | I64-L88 CarbonylContact C-O 3.55Å; L65-L88 HydrophobicContact CB-CB 4.36Å; L65-L88 PolarHBondContact N-O 2.97Å; V66-L88 HydrophobicContact CB-CB 4.15Å; V66-L88 HydrophobicContact CB-CD1 4.12Å; V66-L88 HydrophobicContact CB-CG 4.32Å; V66-L88 HydrophobicContact CG2-CB 4.5Å; V66-L88 HydrophobicContact CG2-CD1 4.1Å; V66-L88 PolarHBondContact O-N 2.98Å; I73-L88 HydrophobicContact CB-CD1 4.22Å; I73-L88 HydrophobicContact CG2-CD1 3.75Å; P75-L88 HydrophobicContact CB-CD2 3.97Å; P75-L88 HydrophobicContact CG-CD2 4.48Å; V79-L88 HydrophobicContact CG1-CB 3.89Å; V79-L88 HydrophobicContact CG1-CD2 4.14Å; V79-L88 HydrophobicContact CG1-CG 4.45Å; K80-L88 WeakPolarHBondContact O-CA 3.36Å; L81-L88 HydrophobicContact CB-CD2 4.17Å; L81-L88 HydrophobicContact CD1-CD2 3.71Å; L88-V126 HydrophobicContact CD1-CB 4.22Å; L88-V126 HydrophobicContact CD1-CG2 4.39Å |
| 89 | V | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.3 | -174.7 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | D63 I64 K80 D82 | D63-V89 VanDerWaalsContact O-CA 3.32Å; D63-V89 WeakPolarHBondContact O-CA 3.37Å; I64-V89 HydrophobicContact CG1-CG2 4.22Å; K80-V89 HydrophobicContact CD-CB 4.48Å; K80-V89 HydrophobicContact CG-CB 3.92Å; K80-V89 HydrophobicContact CG-CG1 4.49Å; K80-V89 PolarHBondContact N-O 2.91Å; K80-V89 PolarHBondContact O-N 2.86Å; D82-V89 WeakPolarHBondContact OD2-CG2 3.41Å |
| 90 | A | 98.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V59 Y60 G62 D63 L65 V128 | V59-A90 HydrophobicContact CG2-CB 4.43Å; Y60-A90 WeakPolarHBondContact O-CB 3.33Å; G62-A90 PolarHBondContact N-O 3.11Å; D63-A90 PolarHBondContact O-N 3.24Å; L65-A90 HydrophobicContact CD1-CB 4.3Å; L65-A90 HydrophobicContact CD2-CB 4.14Å; L65-A90 HydrophobicContact CG-CB 4.31Å; A90-V128 HydrophobicContact CB-CG2 4.01Å |
| 91 | L | 97.5 | Very high | 96.2 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -92.4 | -21.4 | 175.1 | -68.9 | 174.2 | 0 | 0 | 0 | 113.3 | K61 S78 K80 | K61-L91 WeakPolarHBondContact CD-O 3.33Å; K61-L91 WeakPolarHBondContact CE-O 3.36Å; K61-L91 WeakPolarHBondContact CG-O 3.15Å; S78-L91 WeakPolarHBondContact O-CB 3.18Å; S78-L91 PolarHBondContact O-N 3.43Å; K80-L91 HydrophobicContact CB-CD1 4.16Å; K80-L91 HydrophobicContact CB-CD2 3.9Å; K80-L91 HydrophobicContact CB-CG 4.06Å; K80-L91 HydrophobicContact CD-CD2 3.85Å; K80-L91 HydrophobicContact CG-CD2 3.79Å; K80-L91 HydrophobicContact CG-CG 4.2Å |
| 92 | S | 95.9 | Very high | 96.2 | Very high | 31 Ų | 31 | 61.1 Ų | 61.1 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -132.7 | 167.8 | -179.6 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | K61 S78 | K61-S92 PolarHBondContact N-O 3.26Å; S78-S92 WeakPolarHBondContact CB-OG 3.38Å; S78-S92 PolarHBondContact OG-OG 2.9Å |
| 93 | N | 96.6 | Very high | 96.2 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -84.7 | 143.6 | 166.7 | -57.4 | -15.8 | 0 | 0 | 0 | 108.2 | Y58 V59 K61 G130 | Y58-N93 HydrophobicContact CE1-CB 4.43Å; V59-N93 WeakPolarHBondContact O-CA 3.4Å; K61-N93 WeakPolarHBondContact CB-OD1 3.45Å; K61-N93 PolarHBondContact N-OD1 3.46Å; N93-G130 WeakPolarHBondContact O-CA 3.26Å |
| 94 | G | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.8 | -165.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V59 I129 | V59-G94 WeakPolarHBondContact CG2-O 3.23Å; V59-G94 PolarHBondContact N-O 3.42Å; V59-G94 PolarHBondContact O-N 2.93Å; G94-I129 CarbonylContact C-O 3.57Å; G94-I129 WeakPolarHBondContact CA-O 3.32Å |
| 95 | R | 97.4 | Very high | 96.3 | Very high | 152 Ų | 152 | 52.2 Ų | 52.2 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.8 | 174.8 | -64.9 | -171 | -178.2 | -161.5 | -1.3 | 110.5 | V128 I129 | R95-V128 WeakPolarHBondContact O-CA 3.21Å; R95-I129 PolarHBondContact N-O 3.05Å; R95-I129 PolarHBondContact O-N 3.18Å |
| 96 | F | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.7 | 172.3 | 172.4 | -95.4 | 0 | 0 | 0 | 109.9 | F51 F53 N54 G56 D57 V59 L65 I98 V126 H127 | F51-F96 AromaticContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CE1-CZ 4.12Å; F53-F96 HydrophobicContact CB-CD1 4.15Å; F53-F96 HydrophobicContact CB-CE1 4.48Å; F53-F96 HydrophobicContact CB-CG 4.2Å; N54-F96 VanDerWaalsContact O-CD1 3.25Å; N54-F96 WeakPolarHBondContact O-CD1 3.39Å; G56-F96 WeakPolarHBondContact CA-O 3.3Å; G56-F96 PolarHBondContact N-O 3.5Å; D57-F96 WeakPolarHBondContact O-CB 3.22Å; D57-F96 PolarHBondContact O-N 3.28Å; V59-F96 HydrophobicContact CG1-CB 3.83Å; V59-F96 HydrophobicContact CG2-CB 4.33Å; L65-F96 HydrophobicContact CB-CD2 4.37Å; L65-F96 HydrophobicContact CB-CE2 4.02Å; L65-F96 HydrophobicContact CD1-CD2 4.22Å; L65-F96 HydrophobicContact CD1-CE2 4.41Å; L65-F96 HydrophobicContact CD2-CD2 3.91Å; L65-F96 HydrophobicContact CD2-CE2 4.4Å; L65-F96 HydrophobicContact CG-CD2 4.4Å; F96-I98 HydrophobicContact CE1-CD1 3.7Å; F96-I98 HydrophobicContact CE1-CG1 3.53Å; F96-I98 HydrophobicContact CZ-CD1 3.87Å; F96-I98 HydrophobicContact CZ-CG1 3.59Å; F96-V126 HydrophobicContact CD2-CG1 3.83Å; F96-V126 HydrophobicContact CE2-CB 4.32Å; F96-V126 HydrophobicContact CE2-CG1 3.23Å; F96-V126 HydrophobicContact CE2-CG2 4.12Å; F96-V126 HydrophobicContact CZ-CG1 4.08Å; F96-V126 HydrophobicContact CZ-CG2 4.17Å; F96-H127 WeakPolarHBondContact CA-O 3.2Å |
| 97 | T | 97.6 | Very high | 96.5 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 139.6 | 178.3 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | D55 H127 | D55-T97 WeakPolarHBondContact OD1-CA 3.34Å; T97-H127 PolarHBondContact N-O 3.04Å; T97-H127 PolarHBondContact O-N 2.86Å |
| 98 | I | 97.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 63.2 Ų | 63.2 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127 | 174.4 | -54.9 | 170.1 | 0 | 0 | 0 | 109 | F51 D55 F96 F125 V126 | F51-I98 HydrophobicContact CD1-CD1 3.98Å; F51-I98 HydrophobicContact CE1-CD1 3.56Å; F51-I98 HydrophobicContact CE1-CG1 4.14Å; F51-I98 HydrophobicContact CZ-CD1 3.87Å; D55-I98 PolarHBondContact OD1-N 2.89Å; F96-I98 HydrophobicContact CE1-CD1 3.7Å; F96-I98 HydrophobicContact CE1-CG1 3.53Å; F96-I98 HydrophobicContact CZ-CD1 3.87Å; F96-I98 HydrophobicContact CZ-CG1 3.59Å; I98-F125 WeakPolarHBondContact CA-O 3.34Å; I98-V126 HydrophobicContact CG1-CG2 4.34Å |
| 99 | S | 97.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 164.5 | 173.7 | 68.8 | 0 | 0 | 0 | 0 | 110.2 | E101 P124 F125 H127 | S99-E101 WeakPolarHBondContact OG-CG 3.17Å; S99-E101 PolarHBondContact OG-OE1 3.01Å; S99-P124 CarbonylContact O-C 3.49Å; S99-P124 VanDerWaalsContact O-CA 3.3Å; S99-P124 WeakPolarHBondContact O-CA 3.46Å; S99-F125 PolarHBondContact N-O 2.95Å; S99-F125 PolarHBondContact O-N 3.01Å; S99-H127 PolarHBondContact OG-CD2 2.84Å; S99-H127 PolarHBondContact OG-NE2 3.23Å |
| 100 | T | 97.6 | Very high | 95.9 | Very high | 102 Ų | 102 | 70.5 Ų | 70.5 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.7 | 167.4 | -56.8 | 0 | 0 | 0 | 0 | 107.6 | K123 | T100-K123 WeakPolarHBondContact CA-O 3.25Å |
| 101 | E | 96.8 | Very high | 95.6 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 35% | 0.35 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 158.1 | -170.5 | -55 | -178.8 | -177.5 | 0 | 0 | 111.3 | S99 Y122 K123 F125 H127 | S99-E101 WeakPolarHBondContact OG-CG 3.17Å; S99-E101 PolarHBondContact OG-OE1 3.01Å; E101-Y122 WeakPolarHBondContact O-CA 3.43Å; E101-K123 PolarHBondContact N-O 2.84Å; E101-K123 PolarHBondContact O-N 3.4Å; E101-F125 HydrophobicContact CB-CD2 3.63Å; E101-F125 HydrophobicContact CB-CE2 3.8Å; E101-F125 HydrophobicContact CB-CG 4.43Å; E101-F125 HydrophobicContact CG-CD2 4.03Å; E101-F125 HydrophobicContact CG-CG 4.46Å; E101-H127 IonicContact OE1-CE1 3.04Å; E101-H127 PolarHBondContact OE1-CE1 2.84Å; E101-H127 IonicContact OE1-NE2 3.91Å; E101-H127 PolarHBondContact OE1-NE2 3.47Å |
| 102 | E | 96.3 | Very high | 95.5 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 126.7 | 172.7 | -176.4 | 176.7 | 167.2 | 0 | 0 | 110.2 | S104 V120 Y122 | E102-S104 PolarHBondContact O-N 2.87Å; E102-V120 HydrophobicContact CG-CG1 3.93Å; E102-Y122 HydrophobicContact CB-CD1 4.34Å; E102-Y122 HydrophobicContact CB-CE1 3.97Å |
| 103 | L | 94 | Very high | 95.5 | Very high | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | trans | -75.2 | 125.1 | -178.3 | -170.2 | 84.6 | 0 | 0 | 0 | 110.7 | Y74 P105 L111 I121 K123 F125 | Y74-L103 HydrophobicContact CD1-CD1 3.91Å; Y74-L103 HydrophobicContact CE1-CD1 3.6Å; Y74-L103 HydrophobicContact CG-CD1 4.49Å; L103-P105 VanDerWaalsContact C-CD 3.48Å; L103-P105 HydrophobicContact CD2-CB 4.29Å; L103-P105 HydrophobicContact CD2-CG 4.35Å; L103-P105 WeakPolarHBondContact O-CD 3.36Å; L103-L111 HydrophobicContact CD2-CB 4.14Å; L103-L111 HydrophobicContact CD2-CD1 3.46Å; L103-L111 VanDerWaalsContact CD2-CD1 3.46Å; L103-L111 HydrophobicContact CD2-CG 4.43Å; L103-I121 HydrophobicContact CB-CB 4.22Å; L103-I121 HydrophobicContact CB-CG2 4.38Å; L103-I121 VanDerWaalsContact CB-O 3.32Å; L103-I121 WeakPolarHBondContact CB-O 3.36Å; L103-I121 HydrophobicContact CD2-CG2 4.38Å; L103-I121 PolarHBondContact N-O 3.04Å; L103-K123 HydrophobicContact CD1-CG 4.46Å; L103-F125 HydrophobicContact CD1-CZ 4.06Å | ||
| 104 | S | 93.8 | Very high | 95.3 | Very high | 108 Ų | 108 | 74.3 Ų | 74.3 | 76% | 0.755 | 40% | 0.401 | S | S | * | . | trans | -110 | 79.5 | 170.4 | 47.9 | 0 | 0 | 0 | 0 | 110.8 | E102 | E102-S104 PolarHBondContact O-N 2.87Š| ||
| 105 | P | 94.7 | Very high | 95.2 | Very high | 19 Ų | 19 | 76 Ų | 76 | 12% | 0.123 | 41% | 0.412 | C | S | . | . | trans | -67.2 | 144.9 | -175.6 | 28 | -35.1 | 0 | 0 | 0 | 112.5 | L103 L111 Y112 V115 | L103-P105 VanDerWaalsContact C-CD 3.48Å; L103-P105 HydrophobicContact CD2-CB 4.29Å; L103-P105 HydrophobicContact CD2-CG 4.35Å; L103-P105 WeakPolarHBondContact O-CD 3.36Å; P105-L111 HydrophobicContact CB-CB 4.14Å; P105-L111 HydrophobicContact CG-CB 4.31Å; P105-Y112 HydrophobicContact CG-CD2 4.44Å; P105-Y112 WeakPolarHBondContact O-CD2 3.43Å; P105-V115 HydrophobicContact CG-CB 3.97Å; P105-V115 HydrophobicContact CG-CG1 4.48Å; P105-V115 HydrophobicContact CG-CG2 3.67Å | ||
| 106 | F | 94.4 | Very high | 95 | Very high | 172 Ų | 172 | 76 Ų | 76 | 75% | 0.754 | 42% | 0.416 | S | S | * | . | trans | -63.2 | 155 | 170.1 | -70 | -73.1 | 0 | 0 | 0 | 112 | N108 S109 Y112 | F106-N108 PolarHBondContact O-N 2.81Å; F106-S109 WeakPolarHBondContact O-CB 3.31Å; F106-S109 PolarHBondContact O-N 2.85Å; F106-Y112 WeakPolarHBondContact O-CB 3.43Å | ||
| 107 | P | 94.9 | Very high | 94.9 | Very high | 87 Ų | 87 | 82.9 Ų | 82.9 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.7 | 179.4 | -28.7 | 36.1 | 0 | 0 | 0 | 115.4 | S109 Y112 | P107-S109 VanDerWaalsContact C-N 3.31Å; P107-Y112 HydrophobicContact CB-CD1 4.44Å; P107-Y112 HydrophobicContact CB-CE1 4.26Å; P107-Y112 HydrophobicContact CB-CE2 4.48Å; P107-Y112 HydrophobicContact CG-CE2 4.28Å |
| 108 | N | 95.4 | Very high | 94.7 | Very high | 163 Ų | 163 | 83.8 Ų | 83.8 | 87% | 0.872 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -4.3 | 179.2 | -62.5 | -18 | 0 | 0 | 0 | 113.3 | F106 | F106-N108 PolarHBondContact O-N 2.81Š|
| 109 | S | 91.7 | Very high | 94.6 | Very high | 36 Ų | 36 | 85.7 Ų | 85.7 | 25% | 0.252 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -76.2 | 140.5 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | F106 P107 L111 Y112 | F106-S109 WeakPolarHBondContact O-CB 3.31Å; F106-S109 PolarHBondContact O-N 2.85Å; P107-S109 VanDerWaalsContact C-N 3.31Å; S109-L111 PolarHBondContact O-N 2.92Å; S109-L111 VanDerWaalsContact O-N 3.1Å; S109-L111 PolarHBondContact OG-N 2.77Å; S109-Y112 VanDerWaalsContact O-CB 3.22Å; S109-Y112 WeakPolarHBondContact O-CB 3.48Å; S109-Y112 PolarHBondContact O-N 3.05Å |
| 110 | P | 92.5 | Very high | 94.5 | Very high | 124 Ų | 124 | 87.9 Ų | 87.9 | 81% | 0.805 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.8 | 173.5 | 26.2 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 111 | L | 92.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 84.1 Ų | 84.1 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12 | 177.8 | -59.4 | 177.2 | 0 | 0 | 0 | 112.9 | L103 P105 S109 G113 K114 V115 | L103-L111 HydrophobicContact CD2-CB 4.14Å; L103-L111 HydrophobicContact CD2-CD1 3.46Å; L103-L111 VanDerWaalsContact CD2-CD1 3.46Å; L103-L111 HydrophobicContact CD2-CG 4.43Å; P105-L111 HydrophobicContact CB-CB 4.14Å; P105-L111 HydrophobicContact CG-CB 4.31Å; S109-L111 PolarHBondContact O-N 2.92Å; S109-L111 VanDerWaalsContact O-N 3.1Å; S109-L111 PolarHBondContact OG-N 2.77Å; L111-G113 PolarHBondContact O-N 3.27Å; L111-K114 PolarHBondContact O-N 2.93Å; L111-V115 PolarHBondContact O-N 3.35Å |
| 112 | Y | 95.2 | Very high | 94.3 | Very high | 81 Ų | 81 | 87.4 Ų | 87.4 | 32% | 0.318 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | -174.3 | -177 | -107.2 | 0 | 0 | 0 | 113.5 | P105 F106 P107 S109 K114 V115 K116 | P105-Y112 HydrophobicContact CG-CD2 4.44Å; P105-Y112 WeakPolarHBondContact O-CD2 3.43Å; F106-Y112 WeakPolarHBondContact O-CB 3.43Å; P107-Y112 HydrophobicContact CB-CD1 4.44Å; P107-Y112 HydrophobicContact CB-CE1 4.26Å; P107-Y112 HydrophobicContact CB-CE2 4.48Å; P107-Y112 HydrophobicContact CG-CE2 4.28Å; S109-Y112 VanDerWaalsContact O-CB 3.22Å; S109-Y112 WeakPolarHBondContact O-CB 3.48Å; S109-Y112 PolarHBondContact O-N 3.05Å; Y112-K114 VanDerWaalsContact C-N 3.32Å; Y112-K114 PolarHBondContact O-N 2.9Å; Y112-V115 PolarHBondContact O-N 2.79Å; Y112-K116 HydrophobicContact CE1-CD 4.04Å; Y112-K116 WeakPolarHBondContact O-CB 3.45Å; Y112-K116 PolarHBondContact O-N 3.4Å |
| 113 | G | 94.7 | Very high | 94.3 | Very high | 38 Ų | 38 | 85.8 Ų | 85.8 | 39% | 0.392 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L111 V115 K116 D117 | L111-G113 PolarHBondContact O-N 3.27Å; G113-V115 PolarHBondContact O-N 2.81Å; G113-K116 PolarHBondContact O-N 3Å; G113-D117 PolarHBondContact O-N 3.16Å |
| 114 | K | 93.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 87.3 Ų | 87.3 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 179.5 | -67.6 | -173 | 163.7 | -149.1 | 0 | 113.1 | L111 Y112 K116 D117 G118 E119 I121 | L111-K114 PolarHBondContact O-N 2.93Å; Y112-K114 VanDerWaalsContact C-N 3.32Å; Y112-K114 PolarHBondContact O-N 2.9Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 2.9Å; K114-D117 PolarHBondContact O-N 3.02Å; K114-G118 PolarHBondContact O-N 3.22Å; K114-E119 HydrophobicContact CB-CB 4.37Å; K114-E119 WeakPolarHBondContact CB-OE2 3.3Å; K114-E119 WeakPolarHBondContact CD-OE2 3.38Å; K114-E119 VanDerWaalsContact O-CB 3.25Å; K114-E119 WeakPolarHBondContact O-CB 3.44Å; K114-E119 PolarHBondContact O-N 3.47Å; K114-I121 HydrophobicContact CB-CD1 4.44Å |
| 115 | V | 94.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 83.4 Ų | 83.4 | 22% | 0.224 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | P105 L111 Y112 G113 D117 G118 E119 I121 | P105-V115 HydrophobicContact CG-CB 3.97Å; P105-V115 HydrophobicContact CG-CG1 4.48Å; P105-V115 HydrophobicContact CG-CG2 3.67Å; L111-V115 PolarHBondContact O-N 3.35Å; Y112-V115 PolarHBondContact O-N 2.79Å; G113-V115 PolarHBondContact O-N 2.81Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.43Å; V115-G118 PolarHBondContact O-N 2.97Å; V115-G118 VanDerWaalsContact O-N 3.1Å; V115-E119 WeakPolarHBondContact CA-O 3.48Å; V115-I121 HydrophobicContact CG2-CD1 3.83Å; V115-I121 HydrophobicContact CG2-CG1 4.21Å |
| 116 | K | 93.3 | Very high | 94.7 | Very high | 152 Ų | 152 | 82.5 Ų | 82.5 | 66% | 0.661 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.4 | -32.5 | 175.7 | -172.5 | 179.3 | 178.2 | -174.9 | 0 | 113.1 | Y112 G113 K114 G118 | Y112-K116 HydrophobicContact CE1-CD 4.04Å; Y112-K116 WeakPolarHBondContact O-CB 3.45Å; Y112-K116 PolarHBondContact O-N 3.4Å; G113-K116 PolarHBondContact O-N 3Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 2.9Å; K116-G118 PolarHBondContact O-N 2.87Å |
| 117 | D | 94.5 | Very high | 94.9 | Very high | 144 Ų | 144 | 75.2 Ų | 75.2 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -4.2 | 174.5 | -64.6 | -22.1 | 0 | 0 | 0 | 112.7 | G113 K114 V115 | G113-D117 PolarHBondContact O-N 3.16Å; K114-D117 PolarHBondContact O-N 3.02Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.43Å |
| 118 | G | 94.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 71 Ų | 71 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.4 | 7.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | K114 V115 K116 V120 | K114-G118 PolarHBondContact O-N 3.22Å; V115-G118 PolarHBondContact O-N 2.97Å; V115-G118 VanDerWaalsContact O-N 3.1Å; K116-G118 PolarHBondContact O-N 2.87Å; G118-V120 PolarHBondContact O-N 2.92Å |
| 119 | E | 94.5 | Very high | 95.1 | Very high | 98 Ų | 98 | 67.3 Ų | 67.3 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | trans | -76.7 | 118.8 | 176.4 | -165.5 | 179.4 | 171.4 | 0 | 0 | 110.7 | K114 V115 I121 | K114-E119 HydrophobicContact CB-CB 4.37Å; K114-E119 WeakPolarHBondContact CB-OE2 3.3Å; K114-E119 WeakPolarHBondContact CD-OE2 3.38Å; K114-E119 VanDerWaalsContact O-CB 3.25Å; K114-E119 WeakPolarHBondContact O-CB 3.44Å; K114-E119 PolarHBondContact O-N 3.47Å; V115-E119 WeakPolarHBondContact CA-O 3.48Å; E119-I121 HydrophobicContact CG-CG1 4.41Å | ||
| 120 | V | 95.2 | Very high | 95.2 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | trans | -86.4 | 119.3 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | E102 G118 Y122 | E102-V120 HydrophobicContact CG-CG1 3.93Å; G118-V120 PolarHBondContact O-N 2.92Å; V120-Y122 HydrophobicContact CB-CE2 4.48Å; V120-Y122 HydrophobicContact CG1-CD2 4.11Å; V120-Y122 HydrophobicContact CG1-CE2 3.45Å; V120-Y122 VanDerWaalsContact CG1-CE2 3.45Å | ||
| 121 | I | 94.6 | Very high | 95 | Very high | 23 Ų | 23 | 65.2 Ų | 65.2 | 12% | 0.118 | 35% | 0.35 | C | S | . | . | trans | -111.5 | 114.7 | -178 | -56.1 | 176.1 | 0 | 0 | 0 | 109.3 | L103 K114 V115 E119 K123 | L103-I121 HydrophobicContact CB-CB 4.22Å; L103-I121 HydrophobicContact CB-CG2 4.38Å; L103-I121 VanDerWaalsContact CB-O 3.32Å; L103-I121 WeakPolarHBondContact CB-O 3.36Å; L103-I121 HydrophobicContact CD2-CG2 4.38Å; L103-I121 PolarHBondContact N-O 3.04Å; K114-I121 HydrophobicContact CB-CD1 4.44Å; V115-I121 HydrophobicContact CG2-CD1 3.83Å; V115-I121 HydrophobicContact CG2-CG1 4.21Å; E119-I121 HydrophobicContact CG-CG1 4.41Å; I121-K123 HydrophobicContact CG2-CG 4.18Å | ||
| 122 | Y | 96.1 | Very high | 94.7 | Very high | 143 Ų | 143 | 68.7 Ų | 68.7 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.4 | 172.4 | -69.1 | -78.7 | 0 | 0 | 0 | 111.6 | E101 E102 V120 | E101-Y122 WeakPolarHBondContact O-CA 3.43Å; E102-Y122 HydrophobicContact CB-CD1 4.34Å; E102-Y122 HydrophobicContact CB-CE1 3.97Å; V120-Y122 HydrophobicContact CB-CE2 4.48Å; V120-Y122 HydrophobicContact CG1-CD2 4.11Å; V120-Y122 HydrophobicContact CG1-CE2 3.45Å; V120-Y122 VanDerWaalsContact CG1-CE2 3.45Å |
| 123 | K | 95.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 72.3 Ų | 72.3 | 33% | 0.326 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.6 | 178.5 | -71.6 | -63.8 | 179.5 | -177 | 0 | 112.2 | Y74 T100 E101 L103 I121 F125 | Y74-K123 HydrophobicContact CD2-CB 3.76Å; Y74-K123 HydrophobicContact CD2-CD 4.45Å; Y74-K123 HydrophobicContact CD2-CG 4.03Å; Y74-K123 HydrophobicContact CE2-CB 3.95Å; Y74-K123 HydrophobicContact CE2-CD 3.91Å; Y74-K123 HydrophobicContact CE2-CG 3.67Å; T100-K123 WeakPolarHBondContact CA-O 3.25Å; E101-K123 PolarHBondContact N-O 2.84Å; E101-K123 PolarHBondContact O-N 3.4Å; L103-K123 HydrophobicContact CD1-CG 4.46Å; I121-K123 HydrophobicContact CG2-CG 4.18Å; K123-F125 HydrophobicContact CB-CE2 3.98Å; K123-F125 WeakPolarHBondContact O-CD2 3.19Å |
| 124 | P | 96.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 78.3 Ų | 78.3 | 29% | 0.286 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.1 | 172.7 | 29.7 | -31.8 | 0 | 0 | 0 | 110.3 | I73 Y74 S99 | I73-P124 HydrophobicContact CG1-CG 4.06Å; Y74-P124 PolarHBondContact N-O 3.34Å; S99-P124 CarbonylContact O-C 3.49Å; S99-P124 VanDerWaalsContact O-CA 3.3Å; S99-P124 WeakPolarHBondContact O-CA 3.46Å |
| 125 | F | 97.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 77 Ų | 77 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 149.3 | 173.4 | -72 | -103.9 | 0 | 0 | 0 | 110.2 | Y74 P75 I98 S99 E101 L103 K123 H127 | Y74-F125 VanDerWaalsContact CB-CD1 3.45Å; Y74-F125 HydrophobicContact CD1-CE1 4.39Å; Y74-F125 HydrophobicContact CD1-CZ 4.39Å; Y74-F125 HydrophobicContact CG-CE1 4.11Å; Y74-F125 HydrophobicContact CG-CZ 4.11Å; Y74-F125 WeakPolarHBondContact O-CA 3.39Å; P75-F125 WeakPolarHBondContact O-CD1 3.48Å; I98-F125 WeakPolarHBondContact CA-O 3.34Å; S99-F125 PolarHBondContact N-O 2.95Å; S99-F125 PolarHBondContact O-N 3.01Å; E101-F125 HydrophobicContact CB-CD2 3.63Å; E101-F125 HydrophobicContact CB-CE2 3.8Å; E101-F125 HydrophobicContact CB-CG 4.43Å; E101-F125 HydrophobicContact CG-CD2 4.03Å; E101-F125 HydrophobicContact CG-CG 4.46Å; L103-F125 HydrophobicContact CD1-CZ 4.06Å; K123-F125 HydrophobicContact CB-CE2 3.98Å; K123-F125 WeakPolarHBondContact O-CD2 3.19Å; F125-H127 WeakPolarHBondContact CB-NE2 3.44Å |
| 126 | V | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.2 | 178.1 | 165.4 | 0 | 0 | 0 | 0 | 109.2 | F51 L65 V66 I73 Y74 G76 V79 L88 F96 I98 | F51-V126 HydrophobicContact CE1-CG2 3.94Å; L65-V126 HydrophobicContact CB-CG1 4.29Å; L65-V126 HydrophobicContact CD1-CG1 3.66Å; V66-V126 HydrophobicContact CG2-CG2 4.15Å; I73-V126 HydrophobicContact CG2-CB 4.27Å; I73-V126 HydrophobicContact CG2-CG2 3.45Å; I73-V126 VanDerWaalsContact CG2-CG2 3.45Å; Y74-V126 PolarHBondContact O-N 3Å; Y74-V126 VanDerWaalsContact O-N 3.11Å; G76-V126 WeakPolarHBondContact CA-O 3.22Å; G76-V126 PolarHBondContact N-O 2.85Å; V79-V126 HydrophobicContact CG2-CG1 4.22Å; V79-V126 WeakPolarHBondContact CG2-O 3.42Å; L88-V126 HydrophobicContact CD1-CB 4.22Å; L88-V126 HydrophobicContact CD1-CG2 4.39Å; F96-V126 HydrophobicContact CD2-CG1 3.83Å; F96-V126 HydrophobicContact CE2-CB 4.32Å; F96-V126 HydrophobicContact CE2-CG1 3.23Å; F96-V126 HydrophobicContact CE2-CG2 4.12Å; F96-V126 HydrophobicContact CZ-CG1 4.08Å; F96-V126 HydrophobicContact CZ-CG2 4.17Å; I98-V126 HydrophobicContact CG1-CG2 4.34Å |
| 127 | H | 98.2 | Very high | 93 | Very high | 19 Ų | 19 | 83.2 Ų | 83.2 | 9% | 0.088 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 151.1 | -175 | -55.8 | -105.4 | 0 | 0 | 0 | 110.1 | E77 F96 T97 S99 E101 F125 | E77-H127 HydrophobicContact CB-CB 4.32Å; E77-H127 PolarHBondContact N-ND1 3.37Å; E77-H127 WeakPolarHBondContact O-CA 3.32Å; F96-H127 WeakPolarHBondContact CA-O 3.2Å; T97-H127 PolarHBondContact N-O 3.04Å; T97-H127 PolarHBondContact O-N 2.86Å; S99-H127 PolarHBondContact OG-CD2 2.84Å; S99-H127 PolarHBondContact OG-NE2 3.23Å; E101-H127 IonicContact OE1-CE1 3.04Å; E101-H127 PolarHBondContact OE1-CE1 2.84Å; E101-H127 IonicContact OE1-NE2 3.91Å; E101-H127 PolarHBondContact OE1-NE2 3.47Å; F125-H127 WeakPolarHBondContact CB-NE2 3.44Å |
| 128 | V | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 105.6 | 164.9 | -179.2 | 0 | 0 | 0 | 0 | 108 | V59 L65 E77 S78 V79 A90 R95 G130 | V59-V128 HydrophobicContact CG2-CB 4.3Å; V59-V128 HydrophobicContact CG2-CG1 3.58Å; V59-V128 HydrophobicContact CG2-CG2 3.71Å; L65-V128 HydrophobicContact CD1-CG2 3.69Å; L65-V128 HydrophobicContact CD2-CG2 4.46Å; E77-V128 PolarHBondContact O-N 2.74Å; S78-V128 WeakPolarHBondContact CB-O 3.19Å; S78-V128 PolarHBondContact OG-O 2.94Å; V79-V128 HydrophobicContact CG2-CG2 3.89Å; A90-V128 HydrophobicContact CB-CG2 4.01Å; R95-V128 WeakPolarHBondContact O-CA 3.21Å; V128-G130 PolarHBondContact O-N 3.02Å |
| 129 | I | 96.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 88.5 Ų | 88.5 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.6 | -179.3 | -56.9 | 176.2 | 0 | 0 | 0 | 107.4 | G94 R95 | G94-I129 CarbonylContact C-O 3.57Å; G94-I129 WeakPolarHBondContact CA-O 3.32Å; R95-I129 PolarHBondContact N-O 3.05Å; R95-I129 PolarHBondContact O-N 3.18Å |
| 130 | G | 93.9 | Very high | 92.5 | Very high | 38 Ų | 38 | 93.8 Ų | 93.8 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 147.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N93 V128 | N93-G130 WeakPolarHBondContact O-CA 3.26Å; V128-G130 PolarHBondContact O-N 3.02Å |
| 131 | D | 87.5 | Confident | 92.2 | Very high | 78 Ų | 78 | 99.1 Ų | 99.1 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 142.9 | 172 | -62.1 | -47.5 | 0 | 0 | 0 | 109.7 | Y58 I133 | Y58-D131 VanDerWaalsContact CE2-OD2 3.26Å; Y58-D131 WeakPolarHBondContact CE2-OD2 3.25Å; Y58-D131 PolarHBondContact OH-OD2 3.32Å; D131-I133 PolarHBondContact O-N 3.13Å |
| 132 | P | 86.4 | Confident | 91.9 | Very high | 119 Ų | 119 | 105.3 Ų | 105.3 | 77% | 0.773 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 118 | 176.8 | 24.3 | -32.8 | 0 | 0 | 0 | 109.5 | E134 | P132-E134 PolarHBondContact O-N 2.91Š|
| 133 | I | 86.4 | Confident | 91.4 | Very high | 157 Ų | 157 | 108.1 Ų | 108.1 | 81% | 0.805 | 54% | 0.541 | S | S | * | . | trans | -79.2 | 103.2 | 177.3 | -55.2 | 175.9 | 0 | 0 | 0 | 107.3 | D131 P135 | D131-I133 PolarHBondContact O-N 3.13Å; I133-P135 WeakPolarHBondContact O-CD 3.48Å | ||
| 134 | E | 86.2 | Confident | 91.2 | Very high | 164 Ų | 164 | 109.8 Ų | 109.8 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | trans | -74.7 | 112.1 | 166.7 | -68.2 | -174.8 | 180 | 0 | 0 | 108.9 | P132 V136 | P132-E134 PolarHBondContact O-N 2.91Å; E134-V136 PolarHBondContact O-N 2.84Å | ||
| 135 | P | 85.6 | Confident | 91 | Very high | 78 Ų | 78 | 113.2 Ų | 113.2 | 51% | 0.506 | 57% | 0.566 | S | S | . | * | trans | -67.6 | 109.8 | -179.6 | 27.7 | -33.7 | 0 | 0 | 0 | 109.7 | I133 Y137 | I133-P135 WeakPolarHBondContact O-CD 3.48Å; P135-Y137 HydrophobicContact CB-CE1 4.3Å; P135-Y137 HydrophobicContact CB-CE2 3.84Å; P135-Y137 HydrophobicContact CG-CE2 3.64Å; P135-Y137 VanDerWaalsContact O-CD2 3.32Å; P135-Y137 WeakPolarHBondContact O-CD2 3.29Å; P135-Y137 PolarHBondContact O-N 2.79Å; P135-Y137 VanDerWaalsContact O-N 3.13Å | ||
| 136 | V | 88.9 | Confident | 90.6 | Very high | 117 Ų | 117 | 118.1 Ų | 118.1 | 71% | 0.709 | 59% | 0.591 | S | S | * | * | trans | -79.6 | 96.2 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | E134 K138 | E134-V136 PolarHBondContact O-N 2.84Å; V136-K138 HydrophobicContact CG1-CG 4.24Å; V136-K138 PolarHBondContact O-N 3.06Å | ||
| 137 | Y | 89 | Confident | 90.2 | Very high | 204 Ų | 204 | 125.1 Ų | 125.1 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | trans | -74.3 | 123.3 | 172.1 | -56.8 | -77.4 | 0 | 0 | 0 | 110.1 | P135 | P135-Y137 HydrophobicContact CB-CE1 4.3Å; P135-Y137 HydrophobicContact CB-CE2 3.84Å; P135-Y137 HydrophobicContact CG-CE2 3.64Å; P135-Y137 VanDerWaalsContact O-CD2 3.32Å; P135-Y137 WeakPolarHBondContact O-CD2 3.29Å; P135-Y137 PolarHBondContact O-N 2.79Å; P135-Y137 VanDerWaalsContact O-N 3.13Å | ||
| 138 | K | 90.1 | Very high | 89.7 | Confident | 173 Ų | 173 | 131.7 Ų | 131.7 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | trans | -113.4 | 127 | 172.5 | -65.5 | -175.6 | -179.3 | 179.8 | 0 | 109.5 | V136 K140 | V136-K138 HydrophobicContact CG1-CG 4.24Å; V136-K138 PolarHBondContact O-N 3.06Å; K138-K140 PolarHBondContact O-N 3.28Å | ||
| 139 | L | 91.4 | Very high | 89.1 | Confident | 142 Ų | 142 | 140.5 Ų | 140.5 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -61 | 120.4 | 170.3 | -171.2 | 85.5 | 0 | 0 | 0 | 108.7 | I142 | L139-I142 HydrophobicContact CD2-CD1 4.29Å; L139-I142 HydrophobicContact CD2-CG1 3.6Å | ||
| 140 | K | 91.3 | Very high | 88.6 | Confident | 208 Ų | 208 | 144.4 Ų | 144.4 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | trans | -86 | -30.1 | -179.9 | -70.4 | -173.2 | 177.6 | 179.8 | 0 | 113.4 | K138 | K138-K140 PolarHBondContact O-N 3.28Š| ||
| 141 | R | 89.5 | Confident | 88.2 | Confident | 190 Ų | 190 | 152.6 Ų | 152.6 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -161.6 | 149.8 | 178.7 | 61.3 | -177.3 | -173.4 | 168.7 | 3.3 | 111.8 | ||||
| 142 | I | 88.3 | Confident | 88.2 | Confident | 152 Ų | 152 | 158.8 Ų | 158.8 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -96.8 | 129.5 | 163.4 | -59.1 | 170.2 | 0 | 0 | 0 | 105.7 | L139 | L139-I142 HydrophobicContact CD2-CD1 4.29Å; L139-I142 HydrophobicContact CD2-CG1 3.6Å | ||
| 143 | L | 85.4 | Confident | 88.4 | Confident | 202 Ų | 202 | 162.5 Ų | 162.5 | 100% | 1.058 | 78% | 0.776 | S | S | * | * | trans | -81 | 0 | 174.5 | -71.7 | 174.8 | 0 | 0 | 0 | 110.8 |
Retrieved 143 of 143 residues in 27.6 ms
(Link to these results)