| 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 | 47.7 | Very low | 67 | Low | 225 Ų | 225 | 113.5 Ų | 113.5 | 100% | 1.108 | 58% | 0.577 | S | S | * | * | 0 | 100.7 | 0 | -72.2 | -171.6 | 166.1 | 0 | 0 | 107.5 | |||||
| 2 | D | 62.6 | Low | 65.7 | Low | 146 Ų | 146 | 119 Ų | 119 | 78% | 0.781 | 60% | 0.599 | S | S | * | * | trans | -67.4 | 130.4 | 174.5 | -57.4 | -52.9 | 0 | 0 | 0 | 108.7 | ||||
| 3 | K | 64.6 | Low | 64.9 | Low | 158 Ų | 158 | 122.6 Ų | 122.6 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | trans | -90.9 | 106.5 | 175.8 | -67.7 | -171.2 | 178.6 | -171.3 | 0 | 107.4 | ||||
| 4 | V | 68.1 | Low | 64.7 | Low | 75 Ų | 75 | 116.6 Ų | 116.6 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.2 | 169.2 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | V6 L19 F21 | V4-V6 HydrophobicContact CG1-CG2 4.49Å; V4-L19 HydrophobicContact CG1-CD2 3.25Å; V4-F21 HydrophobicContact CG2-CD1 4.25Å; V4-F21 HydrophobicContact CG2-CE1 4.02Å |
| 5 | V | 68.3 | Low | 64.9 | Low | 45 Ų | 45 | 113.4 Ų | 113.4 | 27% | 0.273 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 120 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 108 | L20 | V5-L20 PolarHBondContact N-O 3.45Å; V5-L20 VanDerWaalsContact N-O 3.14Å; V5-L20 PolarHBondContact O-N 3.04Å |
| 6 | V | 72.1 | Confident | 65.2 | Low | 89 Ų | 89 | 110.5 Ų | 110.5 | 54% | 0.539 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.1 | 173.8 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V4 F17 L19 | V4-V6 HydrophobicContact CG1-CG2 4.49Å; V6-F17 HydrophobicContact CG1-CD1 4.21Å; V6-L19 HydrophobicContact CG2-CD2 3.9Å |
| 7 | Y | 69.6 | Low | 65.6 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.9 | 174 | -167.2 | -107.6 | 0 | 0 | 0 | 109.9 | S9 F17 Q18 | Y7-S9 VanDerWaalsContact CD1-OG 3.28Å; Y7-S9 WeakPolarHBondContact CD1-OG 3.1Å; Y7-S9 WeakPolarHBondContact CE1-OG 3.42Å; Y7-F17 WeakPolarHBondContact O-CA 3.48Å; Y7-Q18 PolarHBondContact N-O 3.03Å; Y7-Q18 PolarHBondContact O-N 3.47Å |
| 8 | C | 70.7 | Confident | 65.9 | Low | 69 Ų | 69 | 112.4 Ų | 112.4 | 47% | 0.466 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.4 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | F17 | C8-F17 HydrophobicContact CB-CD1 4.02Å; C8-F17 HydrophobicContact CB-CE1 3.94Å |
| 9 | S | 68.4 | Low | 66.1 | Low | 34 Ų | 34 | 112.4 Ų | 112.4 | 24% | 0.238 | 58% | 0.583 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.4 | 173.1 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | Y7 C15 T16 | Y7-S9 VanDerWaalsContact CD1-OG 3.28Å; Y7-S9 WeakPolarHBondContact CD1-OG 3.1Å; Y7-S9 WeakPolarHBondContact CE1-OG 3.42Å; S9-C15 WeakPolarHBondContact O-CA 3.4Å; S9-T16 PolarHBondContact N-O 3.35Å; S9-T16 PolarHBondContact O-N 2.87Å |
| 10 | K | 74.5 | Confident | 66 | Low | 187 Ų | 187 | 111.7 Ų | 111.7 | 81% | 0.813 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.6 | 169.6 | -163 | 148.6 | -176.1 | 152.3 | 0 | 108.8 | ||
| 11 | I | 70.2 | Confident | 66 | Low | 107 Ų | 107 | 113.7 Ų | 113.7 | 55% | 0.549 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 147.2 | 176.6 | -56.7 | 175.1 | 0 | 0 | 0 | 106.9 | N13 G14 | I11-N13 PolarHBondContact O-N 2.81Å; I11-G14 PolarHBondContact N-O 3.14Å; I11-G14 PolarHBondContact O-N 2.84Å |
| 12 | H | 52.2 | Low | 66.6 | Low | 180 Ų | 180 | 112.4 Ų | 112.4 | 83% | 0.833 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 108.4 | -177.8 | -148.3 | -92.8 | 0 | 0 | 0 | 108.8 | ||
| 13 | N | 55.3 | Low | 66.3 | Low | 166 Ų | 166 | 114.1 Ų | 114.1 | 89% | 0.888 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.4 | 7.8 | -172.4 | -50.6 | -47 | 0 | 0 | 0 | 119.4 | I11 | I11-N13 PolarHBondContact O-N 2.81Š|
| 14 | G | 61.8 | Low | 65.9 | Low | 39 Ų | 39 | 117.2 Ų | 117.2 | 40% | 0.402 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -173.2 | 161.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | I11 | I11-G14 PolarHBondContact N-O 3.14Å; I11-G14 PolarHBondContact O-N 2.84Å |
| 15 | C | 66.9 | Low | 64.8 | Low | 68 Ų | 68 | 119.5 Ų | 119.5 | 46% | 0.459 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.6 | 167.8 | -78.4 | 0 | 0 | 0 | 0 | 109.4 | S9 | S9-C15 WeakPolarHBondContact O-CA 3.4Å |
| 16 | T | 70.8 | Confident | 63.8 | Low | 67 Ų | 67 | 122.9 Ų | 122.9 | 41% | 0.411 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 129 | 175.1 | -40.5 | 0 | 0 | 0 | 0 | 109 | S9 | S9-T16 PolarHBondContact N-O 3.35Å; S9-T16 PolarHBondContact O-N 2.87Å |
| 17 | F | 71.7 | Confident | 62.6 | Low | 143 Ų | 143 | 127.9 Ų | 127.9 | 63% | 0.627 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99 | 125.9 | 174.8 | -62.4 | -86.5 | 0 | 0 | 0 | 109.4 | V6 Y7 C8 | V6-F17 HydrophobicContact CG1-CD1 4.21Å; Y7-F17 WeakPolarHBondContact O-CA 3.48Å; C8-F17 HydrophobicContact CB-CD1 4.02Å; C8-F17 HydrophobicContact CB-CE1 3.94Å |
| 18 | Q | 70.1 | Confident | 61.4 | Low | 112 Ų | 112 | 131 Ų | 131 | 52% | 0.523 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.5 | 171.6 | -71.4 | -171.2 | 29.3 | 0 | 0 | 110.1 | Y7 | Y7-Q18 PolarHBondContact N-O 3.03Å; Y7-Q18 PolarHBondContact O-N 3.47Å |
| 19 | L | 69.4 | Low | 59.8 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 59% | 0.586 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 111.2 | 169.8 | -86.7 | 154.6 | 0 | 0 | 0 | 108.7 | V4 V6 | V4-L19 HydrophobicContact CG1-CD2 3.25Å; V6-L19 HydrophobicContact CG2-CD2 3.9Å |
| 20 | L | 65.1 | Low | 59 | Low | 99 Ų | 99 | 139 Ų | 139 | 52% | 0.518 | 69% | 0.693 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.2 | 171.3 | -78.2 | 166 | 0 | 0 | 0 | 109.3 | V5 R22 | V5-L20 PolarHBondContact N-O 3.45Å; V5-L20 VanDerWaalsContact N-O 3.14Å; V5-L20 PolarHBondContact O-N 3.04Å; L20-R22 PolarHBondContact O-N 3.03Å |
| 21 | F | 65.5 | Low | 57.4 | Low | 154 Ų | 154 | 137.3 Ų | 137.3 | 68% | 0.675 | 69% | 0.692 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.1 | 115.3 | 165.1 | -66.2 | -81.7 | 0 | 0 | 0 | 108 | V4 E23 | V4-F21 HydrophobicContact CG2-CD1 4.25Å; V4-F21 HydrophobicContact CG2-CE1 4.02Å; F21-E23 VanDerWaalsContact C-N 3.34Å; F21-E23 PolarHBondContact O-N 2.85Å |
| 22 | R | 61.4 | Low | 56 | Low | 197 Ų | 197 | 138.2 Ų | 138.2 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | -71.1 | 93.3 | 174.1 | -178.1 | 177.1 | 177.1 | 174.4 | -0.4 | 108.9 | L20 R24 | L20-R22 PolarHBondContact O-N 3.03Å; R22-R24 PolarHBondContact O-N 3.26Å | ||
| 23 | E | 56.3 | Low | 55.4 | Low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -63.1 | 126.1 | 169.2 | -128.8 | 179.7 | 151.9 | 0 | 0 | 109.4 | F21 S25 | F21-E23 VanDerWaalsContact C-N 3.34Å; F21-E23 PolarHBondContact O-N 2.85Å; E23-S25 PolarHBondContact O-N 2.82Å | ||
| 24 | R | 54.5 | Low | 54.9 | Low | 222 Ų | 222 | 138.1 Ų | 138.1 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | -68.5 | 103.1 | 172.5 | -84 | -179 | 140.4 | 117.1 | -5.6 | 108 | R22 S26 | R22-R24 PolarHBondContact O-N 3.26Å; R24-S26 PolarHBondContact O-N 3.14Å | ||
| 25 | S | 45.7 | Very low | 53.8 | Low | 123 Ų | 123 | 146.3 Ų | 146.3 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -48.9 | 116.5 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | E23 | E23-S25 PolarHBondContact O-N 2.82Š| ||
| 26 | S | 47.8 | Very low | 52.7 | Low | 116 Ų | 116 | 151.1 Ų | 151.1 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -120.8 | 114.1 | 156 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | R24 H28 | R24-S26 PolarHBondContact O-N 3.14Å; S26-H28 PolarHBondContact O-N 3.35Å | ||
| 27 | K | 45.6 | Very low | 51 | Low | 194 Ų | 194 | 158.8 Ų | 158.8 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -22.9 | 120.4 | 171.7 | -66.5 | 165.7 | 175.2 | 175.9 | 0 | 114.2 | ||||
| 28 | H | 44.6 | Very low | 49.3 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -151.8 | 131.5 | 139.9 | -155.7 | -99.8 | 0 | 0 | 0 | 112 | S26 | S26-H28 PolarHBondContact O-N 3.35Š| ||
| 29 | E | 38.8 | Very low | 47.6 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -89.6 | 123.5 | 179.7 | -178.5 | -174.5 | 157.7 | 0 | 0 | 107.3 | ||||
| 30 | S | 51.3 | Low | 46.5 | Very low | 95 Ų | 95 | 156 Ų | 156 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -163.4 | 116.8 | 157.7 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | C32 | S30-C32 PolarHBondContact O-N 3.38Š| ||
| 31 | L | 39.5 | Very low | 45.3 | Very low | 151 Ų | 151 | 159.8 Ų | 159.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -51.6 | 114 | 164.8 | -82.2 | 144.1 | 0 | 0 | 0 | 111.9 | K33 | L31-K33 HydrophobicContact CD2-CD 4.45Å; L31-K33 HydrophobicContact CD2-CG 4.4Å | ||
| 32 | C | 41.6 | Very low | 44.6 | Very low | 125 Ų | 125 | 161 Ų | 161 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -99.3 | 78.5 | 157.5 | -72.4 | 0 | 0 | 0 | 0 | 109 | S30 | S30-C32 PolarHBondContact O-N 3.38Š| ||
| 33 | K | 39.9 | Very low | 43.8 | Very low | 190 Ų | 190 | 160.6 Ų | 160.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -91.4 | 85.7 | 154.5 | -77 | -178.1 | -179.8 | 176.8 | 0 | 106.9 | L31 | L31-K33 HydrophobicContact CD2-CD 4.45Å; L31-K33 HydrophobicContact CD2-CG 4.4Å | ||
| 34 | E | 44.3 | Very low | 43.7 | Very low | 155 Ų | 155 | 161 Ų | 161 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -141.6 | 118 | 162.7 | -154.7 | 173.6 | 144.8 | 0 | 0 | 109.6 | K36 | E34-K36 PolarHBondContact O-N 2.7Å; E34-K36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | K | 39.2 | Very low | 43.4 | Very low | 210 Ų | 210 | 159.7 Ų | 159.7 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -59 | 107 | 170.8 | -68.5 | 171.4 | 174.6 | 176.9 | 0 | 107.9 | ||||
| 36 | K | 43.7 | Very low | 43.9 | Very low | 169 Ų | 169 | 163 Ų | 163 | 74% | 0.735 | 81% | 0.814 | S | S | * | * | trans | -131.4 | 106.1 | 160 | -92.8 | -179.5 | -179.7 | 167.9 | 0 | 109.8 | E34 C38 | E34-K36 PolarHBondContact O-N 2.7Å; E34-K36 VanDerWaalsContact O-N 3.1Å; K36-C38 PolarHBondContact O-N 3Å | ||
| 37 | Y | 36.1 | Very low | 44 | Very low | 228 Ų | 228 | 166 Ų | 166 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -34.1 | 124.3 | 146.4 | -142.9 | -99.2 | 0 | 0 | 0 | 109.7 | ||||
| 38 | C | 35.2 | Very low | 44.5 | Very low | 115 Ų | 115 | 162.7 Ų | 162.7 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -154.7 | 109.3 | 162.4 | -125.8 | 0 | 0 | 0 | 0 | 109.3 | K36 | K36-C38 PolarHBondContact O-N 3Š| ||
| 39 | S | 33.6 | Very low | 44.8 | Very low | 101 Ų | 101 | 160.2 Ų | 160.2 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -51.4 | 139.9 | 153.3 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 40 | S | 47.6 | Very low | 46 | Very low | 93 Ų | 93 | 156.4 Ų | 156.4 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -138.8 | 107.2 | 152.9 | -34.7 | 0 | 0 | 0 | 0 | 105.3 | E42 | S40-E42 PolarHBondContact O-N 3.39Š| ||
| 41 | E | 39.5 | Very low | 45.8 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -57.4 | 115.2 | 162 | 54.3 | -139.7 | 126.4 | 0 | 0 | 108.6 | ||||
| 42 | E | 49.6 | Very low | 46.7 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -123.6 | 106.1 | 162.4 | -65.3 | -164 | -166.3 | 0 | 0 | 106.8 | S40 | S40-E42 PolarHBondContact O-N 3.39Š| ||
| 43 | E | 46.1 | Very low | 47.1 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -65.9 | 116.4 | 170.5 | -57.8 | 176.2 | 152.7 | 0 | 0 | 108.3 | ||||
| 44 | E | 53.7 | Low | 48 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -135.6 | 120.5 | 152.6 | -73.4 | -161.6 | 165.9 | 0 | 0 | 109.4 | ||||
| 45 | E | 48.3 | Very low | 48.1 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -64.2 | 121 | 178 | -57.7 | 174.4 | 147.5 | 0 | 0 | 109.8 | ||||
| 46 | E | 55.8 | Low | 48.7 | Very low | 191 Ų | 191 | 151.4 Ų | 151.4 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | -137.4 | 103.4 | 160.9 | -142.5 | 176.3 | -171.2 | 0 | 0 | 111.1 | N48 | E46-N48 PolarHBondContact O-N 3.08Š| ||
| 47 | E | 50.4 | Low | 48.3 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -49.2 | 110.3 | 165.8 | 177.6 | 178.5 | -177.2 | 0 | 0 | 110.4 | ||||
| 48 | N | 55 | Low | 48.4 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | trans | -132.2 | 99.7 | 169.3 | -160.5 | 4.5 | 0 | 0 | 0 | 110.6 | E46 I50 | E46-N48 PolarHBondContact O-N 3.08Å; N48-I50 VanDerWaalsContact ND2-CD1 3.32Å; N48-I50 WeakPolarHBondContact ND2-CD1 3.38Å; N48-I50 PolarHBondContact O-N 3.42Å; N48-I50 VanDerWaalsContact O-N 3.14Å; N48-I50 WeakPolarHBondContact OD1-CG1 3.27Å | ||
| 49 | T | 51.6 | Low | 48.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -73.5 | 92.9 | 171.4 | 54.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 50 | I | 64.8 | Low | 49.7 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 51% | 0.508 | 77% | 0.766 | S | S | . | * | trans | -105.9 | 99.7 | 173.2 | -66.3 | -175.8 | 0 | 0 | 0 | 109.1 | N48 H52 | N48-I50 VanDerWaalsContact ND2-CD1 3.32Å; N48-I50 WeakPolarHBondContact ND2-CD1 3.38Å; N48-I50 PolarHBondContact O-N 3.42Å; N48-I50 VanDerWaalsContact O-N 3.14Å; N48-I50 WeakPolarHBondContact OD1-CG1 3.27Å; I50-H52 HydrophobicContact CG2-CB 4.42Å; I50-H52 WeakPolarHBondContact CG2-CD2 3.42Å; I50-H52 VanDerWaalsContact CG2-CE1 3.41Å; I50-H52 WeakPolarHBondContact CG2-CE1 3.46Å; I50-H52 VanDerWaalsContact CG2-CG 3.49Å; I50-H52 WeakPolarHBondContact CG2-NE2 3.34Å | ||
| 51 | D | 46.1 | Very low | 49.6 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | -82.4 | 107.1 | 164.5 | -179.9 | 2.2 | 0 | 0 | 0 | 108.5 | S53 | D51-S53 PolarHBondContact OD1-N 2.92Š| ||
| 52 | H | 58 | Low | 49.9 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | trans | -121.3 | 68.3 | 173 | -72.4 | -20.7 | 0 | 0 | 0 | 110.3 | I50 I54 | I50-H52 HydrophobicContact CG2-CB 4.42Å; I50-H52 WeakPolarHBondContact CG2-CD2 3.42Å; I50-H52 VanDerWaalsContact CG2-CE1 3.41Å; I50-H52 WeakPolarHBondContact CG2-CE1 3.46Å; I50-H52 VanDerWaalsContact CG2-CG 3.49Å; I50-H52 WeakPolarHBondContact CG2-NE2 3.34Å; H52-I54 PolarHBondContact O-N 3.25Å | ||
| 53 | S | 50.6 | Low | 49.6 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | -56.6 | 83.5 | 147.9 | 159.9 | 0 | 0 | 0 | 0 | 109.9 | D51 | D51-S53 PolarHBondContact OD1-N 2.92Š| ||
| 54 | I | 59.5 | Low | 49.9 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | -129.9 | 89.1 | 167.5 | -62.7 | -178.9 | 0 | 0 | 0 | 109.1 | H52 H56 | H52-I54 PolarHBondContact O-N 3.25Å; I54-H56 PolarHBondContact O-N 2.9Å | ||
| 55 | L | 45.5 | Very low | 50.1 | Low | 147 Ų | 147 | 132.6 Ų | 132.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -47.7 | 112.5 | 157.1 | -107.7 | 122.2 | 0 | 0 | 0 | 110 | T57 | L55-T57 HydrophobicContact CD2-CG2 4.3Š| ||
| 56 | H | 51.8 | Low | 50.2 | Low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -127.8 | 87.8 | 157 | -96 | -101.8 | 0 | 0 | 0 | 109.9 | I54 | I54-H56 PolarHBondContact O-N 2.9Š| ||
| 57 | T | 36.5 | Very low | 50 | Low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | -50 | 130.7 | 152.2 | 41.1 | 0 | 0 | 0 | 0 | 111.7 | L55 | L55-T57 HydrophobicContact CD2-CG2 4.3Š| ||
| 58 | A | 37.8 | Very low | 50.3 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | 148.8 | 103.8 | 128 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 59 | A | 46.3 | Very low | 50.1 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | 154.1 | 109.1 | 130.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 60 | D | 49.7 | Very low | 50.9 | Low | 154 Ų | 154 | 115.4 Ų | 115.4 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | 60.5 | 105.7 | 148.6 | -63.5 | -21.1 | 0 | 0 | 0 | 121.3 | ||||
| 61 | E | 44.6 | Very low | 51.7 | Low | 185 Ų | 185 | 117.9 Ų | 117.9 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | 50.5 | 89.6 | 126.4 | -77.8 | -73.6 | 150.9 | 0 | 0 | 118 | |||||
| 62 | A | 45.7 | Very low | 53.6 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | 168.6 | 114.4 | 121.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 63 | G | 43.4 | Very low | 54.8 | Low | 77 Ų | 77 | 111.5 Ų | 111.5 | 79% | 0.794 | 71% | 0.709 | S | S | * | * | trans | 79 | 89.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 64 | A | 53 | Low | 56.7 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | trans | 50.1 | 117.5 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | S66 | A64-S66 PolarHBondContact O-N 3.43Š| ||
| 65 | P | 57.9 | Low | 58.3 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 94% | 0.935 | 69% | 0.69 | S | S | * | * | trans | -73.1 | 77 | 154.2 | 32.1 | -31.2 | 0 | 0 | 0 | 108.6 | C67 | P65-C67 PolarHBondContact O-N 3Š| ||
| 66 | S | 50.3 | Low | 60.5 | Low | 97 Ų | 97 | 107 Ų | 107 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | trans | -68 | 120.6 | 169.3 | 169 | 0 | 0 | 0 | 0 | 108.6 | A64 G68 | A64-S66 PolarHBondContact O-N 3.43Å; S66-G68 PolarHBondContact O-N 2.89Å | ||
| 67 | C | 50.7 | Low | 62.4 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 88% | 0.878 | 67% | 0.671 | S | S | * | * | trans | -1.8 | 82.5 | 166.4 | -62.2 | 0 | 0 | 0 | 0 | 114.6 | P65 S69 | P65-C67 PolarHBondContact O-N 3Å; C67-S69 PolarHBondContact O-N 3.26Å; C67-S69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | G | 57.9 | Low | 65 | Low | 43 Ų | 43 | 103.7 Ų | 103.7 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | trans | -70 | 109.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S66 | S66-G68 PolarHBondContact O-N 2.89Š| ||
| 69 | S | 50.3 | Low | 67.6 | Low | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | -42.6 | 144.7 | 174.5 | -176 | 0 | 0 | 0 | 0 | 112.4 | C67 M71 I72 S73 | C67-S69 PolarHBondContact O-N 3.26Å; C67-S69 VanDerWaalsContact O-N 3.14Å; S69-M71 PolarHBondContact O-N 3.39Å; S69-I72 PolarHBondContact O-N 3.26Å; S69-S73 PolarHBondContact O-N 3.02Å | ||
| 70 | T | 67.6 | Low | 69.8 | Low | 121 Ų | 121 | 105.4 Ų | 105.4 | 74% | 0.742 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -42.2 | -33.3 | -179.2 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | S74 | T70-S74 WeakPolarHBondContact O-CB 3.31Å; T70-S74 PolarHBondContact O-N 2.9Å |
| 71 | M | 83.2 | Confident | 71.9 | Confident | 150 Ų | 150 | 102.5 Ų | 102.5 | 74% | 0.739 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 178.5 | -62.6 | -172.1 | -64.1 | 0 | 0 | 114.2 | S69 L75 | S69-M71 PolarHBondContact O-N 3.39Å; M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.49Å; M71-L75 PolarHBondContact O-N 2.76Å |
| 72 | I | 85 | Confident | 74 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 46% | 0.462 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.3 | -50.3 | -179.2 | -64.9 | 164.1 | 0 | 0 | 0 | 109.3 | S69 S74 L75 E76 | S69-I72 PolarHBondContact O-N 3.26Å; I72-S74 VanDerWaalsContact C-N 3.29Å; I72-S74 PolarHBondContact O-N 3.47Å; I72-L75 WeakPolarHBondContact O-CA 3.32Å; I72-L75 WeakPolarHBondContact O-CB 3.05Å; I72-L75 PolarHBondContact O-N 2.99Å; I72-E76 HydrophobicContact CG2-CG 4.41Å; I72-E76 WeakPolarHBondContact O-CG 3.41Å; I72-E76 PolarHBondContact O-N 2.97Å |
| 73 | S | 84.6 | Confident | 76.1 | Confident | 56 Ų | 56 | 96 Ų | 96 | 39% | 0.392 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -35.2 | 177.6 | -56 | 0 | 0 | 0 | 0 | 112.6 | S69 L75 R77 | S69-S73 PolarHBondContact O-N 3.02Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-R77 WeakPolarHBondContact O-CB 3.08Å; S73-R77 PolarHBondContact O-N 3.16Å |
| 74 | S | 89.2 | Confident | 78.4 | Confident | 58 Ų | 58 | 98 Ų | 98 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.1 | -38 | 172.6 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | T70 I72 S78 | T70-S74 WeakPolarHBondContact O-CB 3.31Å; T70-S74 PolarHBondContact O-N 2.9Å; I72-S74 VanDerWaalsContact C-N 3.29Å; I72-S74 PolarHBondContact O-N 3.47Å; S74-S78 WeakPolarHBondContact O-CB 3.46Å; S74-S78 PolarHBondContact O-N 3.41Å; S74-S78 PolarHBondContact O-OG 2.98Å |
| 75 | L | 92.7 | Very high | 80.2 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 53% | 0.534 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.2 | -46.8 | 176.8 | 178.7 | 62.1 | 0 | 0 | 0 | 111.2 | M71 I72 S73 R77 S78 L79 | M71-L75 VanDerWaalsContact O-CB 3.27Å; M71-L75 WeakPolarHBondContact O-CB 3.49Å; M71-L75 PolarHBondContact O-N 2.76Å; I72-L75 WeakPolarHBondContact O-CA 3.32Å; I72-L75 WeakPolarHBondContact O-CB 3.05Å; I72-L75 PolarHBondContact O-N 2.99Å; S73-L75 VanDerWaalsContact C-N 3.34Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 2.99Å; L75-S78 WeakPolarHBondContact O-CB 3.39Å; L75-S78 PolarHBondContact O-N 3.33Å; L75-S78 VanDerWaalsContact O-N 3.08Å; L75-L79 HydrophobicContact CD1-CD1 4.35Å; L75-L79 HydrophobicContact CD1-CG 4.25Å; L75-L79 HydrophobicContact CG-CD1 4.16Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.38Å |
| 76 | E | 91.8 | Very high | 81.6 | Confident | 115 Ų | 115 | 97.6 Ų | 97.6 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.5 | -48.5 | 176 | -71.3 | 172.3 | 150.7 | 0 | 0 | 111.1 | I72 S78 L79 E80 | I72-E76 HydrophobicContact CG2-CG 4.41Å; I72-E76 WeakPolarHBondContact O-CG 3.41Å; I72-E76 PolarHBondContact O-N 2.97Å; E76-S78 VanDerWaalsContact C-N 3.32Å; E76-S78 PolarHBondContact O-N 2.87Å; E76-L79 PolarHBondContact O-N 3.1Å; E76-E80 WeakPolarHBondContact O-CB 3.41Å; E76-E80 PolarHBondContact O-N 2.99Å |
| 77 | R | 91.8 | Very high | 83.3 | Confident | 163 Ų | 163 | 98.4 Ų | 98.4 | 62% | 0.615 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.4 | -43.3 | 174.4 | -174.3 | -172.5 | -64.5 | 163.1 | -1.7 | 112.2 | S73 L75 L79 E80 L81 | S73-R77 WeakPolarHBondContact O-CB 3.08Å; S73-R77 PolarHBondContact O-N 3.16Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 2.99Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 2.91Å; R77-E80 PolarHBondContact O-N 3.31Å; R77-L81 HydrophobicContact CG-CD1 4.29Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.03Å; R77-L81 PolarHBondContact O-N 3.38Å |
| 78 | S | 92.6 | Very high | 85.2 | Confident | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -37.7 | -178.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | S74 L75 E76 S82 | S74-S78 WeakPolarHBondContact O-CB 3.46Å; S74-S78 PolarHBondContact O-N 3.41Å; S74-S78 PolarHBondContact O-OG 2.98Å; L75-S78 WeakPolarHBondContact O-CB 3.39Å; L75-S78 PolarHBondContact O-N 3.33Å; L75-S78 VanDerWaalsContact O-N 3.08Å; E76-S78 VanDerWaalsContact C-N 3.32Å; E76-S78 PolarHBondContact O-N 2.87Å; S78-S82 WeakPolarHBondContact O-CB 3.24Å; S78-S82 PolarHBondContact O-N 2.64Å; S78-S82 PolarHBondContact O-OG 3.02Å |
| 79 | L | 92.5 | Very high | 86.7 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.9 | -41.9 | 176.2 | -69 | 176.1 | 0 | 0 | 0 | 111.7 | L75 E76 R77 S82 A83 | L75-L79 HydrophobicContact CD1-CD1 4.35Å; L75-L79 HydrophobicContact CD1-CG 4.25Å; L75-L79 HydrophobicContact CG-CD1 4.16Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.38Å; E76-L79 PolarHBondContact O-N 3.1Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 2.91Å; L79-S82 PolarHBondContact O-N 3.19Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 2.91Å |
| 80 | E | 91.7 | Very high | 88.7 | Confident | 121 Ų | 121 | 96.3 Ų | 96.3 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.3 | -49.2 | 175 | -176.7 | 177.3 | -168.6 | 0 | 0 | 111.4 | E76 R77 S82 A83 I84 | E76-E80 WeakPolarHBondContact O-CB 3.41Å; E76-E80 PolarHBondContact O-N 2.99Å; R77-E80 PolarHBondContact O-N 3.31Å; E80-S82 VanDerWaalsContact C-N 3.32Å; E80-S82 PolarHBondContact O-N 3.32Å; E80-A83 PolarHBondContact O-N 3.45Å; E80-A83 VanDerWaalsContact O-N 3.16Å; E80-I84 HydrophobicContact CG-CD1 3.95Å; E80-I84 VanDerWaalsContact O-CG1 3.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.38Å; E80-I84 PolarHBondContact O-N 2.92Å |
| 81 | L | 93.4 | Very high | 89.8 | Confident | 92 Ų | 92 | 97.4 Ų | 97.4 | 48% | 0.482 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 175.1 | -70.3 | 173.9 | 0 | 0 | 0 | 111.9 | R77 A83 I84 L85 | R77-L81 HydrophobicContact CG-CD1 4.29Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.03Å; R77-L81 PolarHBondContact O-N 3.38Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 3.19Å; L81-I84 PolarHBondContact O-N 3.43Å; L81-L85 WeakPolarHBondContact O-CB 2.99Å; L81-L85 VanDerWaalsContact O-CG 3.24Å; L81-L85 WeakPolarHBondContact O-CG 3.28Å; L81-L85 PolarHBondContact O-N 2.91Å |
| 82 | S | 89.3 | Confident | 90.4 | Very high | 73 Ų | 73 | 98 Ų | 98 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 112 | S78 L79 E80 S86 | S78-S82 WeakPolarHBondContact O-CB 3.24Å; S78-S82 PolarHBondContact O-N 2.64Å; S78-S82 PolarHBondContact O-OG 3.02Å; L79-S82 PolarHBondContact O-N 3.19Å; E80-S82 VanDerWaalsContact C-N 3.32Å; E80-S82 PolarHBondContact O-N 3.32Å; S82-S86 WeakPolarHBondContact O-CB 3.48Å; S82-S86 PolarHBondContact O-N 2.9Å |
| 83 | A | 89.5 | Confident | 90.8 | Very high | 74 Ų | 74 | 98.5 Ų | 98.5 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L79 E80 L81 | L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 2.91Å; E80-A83 PolarHBondContact O-N 3.45Å; E80-A83 VanDerWaalsContact O-N 3.16Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 3.19Å |
| 84 | I | 92.2 | Very high | 91.1 | Very high | 121 Ų | 121 | 99 Ų | 99 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.6 | -40.3 | 177.7 | -67.3 | 164 | 0 | 0 | 0 | 111.3 | E80 L81 | E80-I84 HydrophobicContact CG-CD1 3.95Å; E80-I84 VanDerWaalsContact O-CG1 3.29Å; E80-I84 WeakPolarHBondContact O-CG1 3.38Å; E80-I84 PolarHBondContact O-N 2.92Å; L81-I84 PolarHBondContact O-N 3.43Å |
| 85 | L | 89.3 | Confident | 91.3 | Very high | 142 Ų | 142 | 102.5 Ų | 102.5 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -86.7 | -17.9 | -175.9 | -62.1 | 175.3 | 0 | 0 | 0 | 113.5 | L81 | L81-L85 WeakPolarHBondContact O-CB 2.99Å; L81-L85 VanDerWaalsContact O-CG 3.24Å; L81-L85 WeakPolarHBondContact O-CG 3.28Å; L81-L85 PolarHBondContact O-N 2.91Å |
| 86 | S | 87.9 | Confident | 91.3 | Very high | 75 Ų | 75 | 102.3 Ų | 102.3 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | trans | -80.3 | 131.5 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | S82 G88 | S82-S86 WeakPolarHBondContact O-CB 3.48Å; S82-S86 PolarHBondContact O-N 2.9Å; S86-G88 PolarHBondContact O-N 3.04Å; S86-G88 PolarHBondContact OG-N 3.13Å | ||
| 87 | D | 86.9 | Confident | 91.3 | Very high | 115 Ų | 115 | 100.3 Ų | 100.3 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | trans | -75.3 | 2.7 | 174.4 | -67.2 | -62.3 | 0 | 0 | 0 | 113.9 | L89 R97 | D87-L89 HydrophobicContact CB-CG 4.25Å; D87-L89 PolarHBondContact O-N 2.9Å; D87-L89 VanDerWaalsContact O-N 3.13Å; D87-R97 VanDerWaalsContact CG-NH1 3.34Å; D87-R97 IonicContact OD2-CZ 3.62Å; D87-R97 IonicContact OD2-NH1 2.64Å; D87-R97 PolarHBondContact OD2-NH1 3.14Å; D87-R97 IonicContact OD2-NH2 3.75Å | ||
| 88 | G | 89.5 | Confident | 91.2 | Very high | 68 Ų | 68 | 99.1 Ų | 99.1 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | trans | 66 | 12.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S86 | S86-G88 PolarHBondContact O-N 3.04Å; S86-G88 PolarHBondContact OG-N 3.13Å | ||
| 89 | L | 90.5 | Very high | 91.1 | Very high | 62 Ų | 62 | 100.1 Ų | 100.1 | 33% | 0.325 | 56% | 0.557 | S | S | . | * | trans | -84.7 | 144.2 | -178.9 | -71.6 | -159.1 | 0 | 0 | 0 | 112.7 | D87 E93 | D87-L89 HydrophobicContact CB-CG 4.25Å; D87-L89 PolarHBondContact O-N 2.9Å; D87-L89 VanDerWaalsContact O-N 3.13Å; L89-E93 HydrophobicContact CB-CB 4.03Å; L89-E93 HydrophobicContact CD1-CB 3.83Å; L89-E93 HydrophobicContact CD2-CB 4.18Å; L89-E93 HydrophobicContact CG-CB 4.25Å | ||
| 90 | S | 90.8 | Very high | 91 | Very high | 64 Ų | 64 | 100.6 Ų | 100.6 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | trans | -67.6 | 157.2 | 166.3 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | K92 E93 C94 | S90-K92 PolarHBondContact O-N 3.21Å; S90-K92 VanDerWaalsContact O-N 3.14Å; S90-E93 WeakPolarHBondContact CB-OE2 3.48Å; S90-E93 PolarHBondContact N-OE2 2.95Å; S90-E93 WeakPolarHBondContact O-CA 3.46Å; S90-E93 WeakPolarHBondContact O-CB 3.34Å; S90-E93 PolarHBondContact O-N 2.86Å; S90-C94 PolarHBondContact O-N 3.41Å | ||
| 91 | D | 92 | Very high | 90.8 | Very high | 144 Ų | 144 | 99 Ų | 99 | 77% | 0.77 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -48.5 | -41.8 | 174.3 | -65.6 | -20.1 | 0 | 0 | 0 | 113.3 | E93 C94 Q95 | D91-E93 VanDerWaalsContact C-N 3.31Å; D91-E93 PolarHBondContact O-N 3.21Å; D91-C94 PolarHBondContact O-N 2.89Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 PolarHBondContact O-N 3.45Å |
| 92 | K | 94.9 | Very high | 90.3 | Very high | 163 Ų | 163 | 97.9 Ų | 97.9 | 71% | 0.709 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 178.3 | -67.9 | 179.9 | -178.7 | 173.8 | 0 | 111.5 | S90 Q95 V96 | S90-K92 PolarHBondContact O-N 3.21Å; S90-K92 VanDerWaalsContact O-N 3.14Å; K92-Q95 PolarHBondContact O-N 2.91Å; K92-V96 WeakPolarHBondContact O-CG2 3.46Å; K92-V96 PolarHBondContact O-N 3.06Å; K92-V96 VanDerWaalsContact O-N 3.08Å |
| 93 | E | 94.2 | Very high | 89.9 | Confident | 99 Ų | 99 | 99 Ų | 99 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75 | -37.6 | -179.1 | -58.9 | 174.3 | 110.4 | 0 | 0 | 111 | L89 S90 D91 Q95 V96 R97 | L89-E93 HydrophobicContact CB-CB 4.03Å; L89-E93 HydrophobicContact CD1-CB 3.83Å; L89-E93 HydrophobicContact CD2-CB 4.18Å; L89-E93 HydrophobicContact CG-CB 4.25Å; S90-E93 WeakPolarHBondContact CB-OE2 3.48Å; S90-E93 PolarHBondContact N-OE2 2.95Å; S90-E93 WeakPolarHBondContact O-CA 3.46Å; S90-E93 WeakPolarHBondContact O-CB 3.34Å; S90-E93 PolarHBondContact O-N 2.86Å; D91-E93 VanDerWaalsContact C-N 3.31Å; D91-E93 PolarHBondContact O-N 3.21Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.81Å; E93-V96 PolarHBondContact O-N 3.5Å; E93-R97 WeakPolarHBondContact O-CB 3.3Å; E93-R97 PolarHBondContact O-N 3.11Å |
| 94 | C | 91.2 | Very high | 89.5 | Confident | 68 Ų | 68 | 99 Ų | 99 | 46% | 0.459 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 171.2 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | S90 D91 R97 Q98 | S90-C94 PolarHBondContact O-N 3.41Å; D91-C94 PolarHBondContact O-N 2.89Å; C94-R97 WeakPolarHBondContact O-CB 3.45Å; C94-R97 PolarHBondContact O-N 3.14Å; C94-Q98 PolarHBondContact O-N 3.49Å |
| 95 | Q | 92.8 | Very high | 88.5 | Confident | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 176.3 | -176.9 | 177 | 75 | 0 | 0 | 112.1 | D91 K92 E93 R97 Q98 V99 | D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 PolarHBondContact O-N 3.45Å; K92-Q95 PolarHBondContact O-N 2.91Å; E93-Q95 VanDerWaalsContact C-N 3.34Å; E93-Q95 PolarHBondContact O-N 2.81Å; Q95-R97 VanDerWaalsContact C-N 3.27Å; Q95-R97 PolarHBondContact O-N 3.18Å; Q95-Q98 PolarHBondContact O-N 2.78Å; Q95-V99 WeakPolarHBondContact O-CG2 3.32Å; Q95-V99 PolarHBondContact O-N 3.44Å |
| 96 | V | 93.3 | Very high | 87.2 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 176 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | K92 E93 V99 K100 | K92-V96 WeakPolarHBondContact O-CG2 3.46Å; K92-V96 PolarHBondContact O-N 3.06Å; K92-V96 VanDerWaalsContact O-N 3.08Å; E93-V96 PolarHBondContact O-N 3.5Å; V96-V99 PolarHBondContact O-N 3.44Å; V96-K100 VanDerWaalsContact O-CB 3.28Å; V96-K100 WeakPolarHBondContact O-CB 3.3Å; V96-K100 PolarHBondContact O-N 3.49Å |
| 97 | R | 91 | Very high | 85.8 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 28% | 0.275 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 176.7 | -169 | -168.4 | -70.4 | 171 | -17.8 | 111.8 | D87 E93 C94 Q95 V99 K100 N101 | D87-R97 VanDerWaalsContact CG-NH1 3.34Å; D87-R97 IonicContact OD2-CZ 3.62Å; D87-R97 IonicContact OD2-NH1 2.64Å; D87-R97 PolarHBondContact OD2-NH1 3.14Å; D87-R97 IonicContact OD2-NH2 3.75Å; E93-R97 WeakPolarHBondContact O-CB 3.3Å; E93-R97 PolarHBondContact O-N 3.11Å; C94-R97 WeakPolarHBondContact O-CB 3.45Å; C94-R97 PolarHBondContact O-N 3.14Å; Q95-R97 VanDerWaalsContact C-N 3.27Å; Q95-R97 PolarHBondContact O-N 3.18Å; R97-V99 PolarHBondContact O-N 3.32Å; R97-K100 PolarHBondContact O-N 3.01Å; R97-N101 VanDerWaalsContact O-CB 3.3Å; R97-N101 WeakPolarHBondContact O-CB 3.28Å; R97-N101 PolarHBondContact O-N 3.34Å; R97-N101 PolarHBondContact O-OD1 3.44Å |
| 98 | Q | 89.4 | Confident | 84.6 | Confident | 139 Ų | 139 | 102.5 Ų | 102.5 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.5 | -46.6 | 175.8 | -175.5 | -176.9 | 69.1 | 0 | 0 | 111.2 | C94 Q95 N101 S102 | C94-Q98 PolarHBondContact O-N 3.49Å; Q95-Q98 PolarHBondContact O-N 2.78Å; Q98-N101 PolarHBondContact O-N 2.97Å; Q98-S102 WeakPolarHBondContact O-CB 3.43Å; Q98-S102 PolarHBondContact O-N 3.36Å |
| 99 | V | 90.4 | Very high | 83 | Confident | 76 Ų | 76 | 104 Ų | 104 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | Q95 V96 R97 N101 S102 I103 | Q95-V99 WeakPolarHBondContact O-CG2 3.32Å; Q95-V99 PolarHBondContact O-N 3.44Å; V96-V99 PolarHBondContact O-N 3.44Å; R97-V99 PolarHBondContact O-N 3.32Å; V99-N101 PolarHBondContact O-N 3.25Å; V99-S102 WeakPolarHBondContact O-CB 3.38Å; V99-S102 PolarHBondContact O-N 2.81Å; V99-I103 HydrophobicContact CG1-CD1 3.78Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.47Å; V99-I103 PolarHBondContact O-N 3.32Å |
| 100 | K | 91 | Very high | 81.4 | Confident | 116 Ų | 116 | 108.4 Ų | 108.4 | 50% | 0.504 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 176.4 | -175.6 | -174.2 | 69.9 | 177.9 | 0 | 111.3 | V96 R97 S102 I103 L104 | V96-K100 VanDerWaalsContact O-CB 3.28Å; V96-K100 WeakPolarHBondContact O-CB 3.3Å; V96-K100 PolarHBondContact O-N 3.49Å; R97-K100 PolarHBondContact O-N 3.01Å; K100-S102 VanDerWaalsContact C-N 3.34Å; K100-I103 PolarHBondContact O-N 2.86Å; K100-L104 HydrophobicContact CD-CD1 4.31Å; K100-L104 HydrophobicContact CG-CD1 3.8Å; K100-L104 HydrophobicContact CG-CG 4.3Å; K100-L104 VanDerWaalsContact O-CB 3.32Å; K100-L104 WeakPolarHBondContact O-CB 3.34Å; K100-L104 VanDerWaalsContact O-CG 3.22Å; K100-L104 WeakPolarHBondContact O-CG 3.29Å; K100-L104 PolarHBondContact O-N 3.5Å |
| 101 | N | 87.4 | Confident | 79.8 | Confident | 88 Ų | 88 | 109.7 Ų | 109.7 | 47% | 0.471 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 179.6 | -71.5 | -4.5 | 0 | 0 | 0 | 111.5 | R97 Q98 V99 L104 G105 | R97-N101 VanDerWaalsContact O-CB 3.3Å; R97-N101 WeakPolarHBondContact O-CB 3.28Å; R97-N101 PolarHBondContact O-N 3.34Å; R97-N101 PolarHBondContact O-OD1 3.44Å; Q98-N101 PolarHBondContact O-N 2.97Å; V99-N101 PolarHBondContact O-N 3.25Å; N101-L104 PolarHBondContact O-N 2.86Å; N101-G105 WeakPolarHBondContact O-CA 3.22Å; N101-G105 PolarHBondContact O-N 3.36Å |
| 102 | S | 82.8 | Confident | 78.1 | Confident | 67 Ų | 67 | 106.9 Ų | 106.9 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | Q98 V99 K100 H106 | Q98-S102 WeakPolarHBondContact O-CB 3.43Å; Q98-S102 PolarHBondContact O-N 3.36Å; V99-S102 WeakPolarHBondContact O-CB 3.38Å; V99-S102 PolarHBondContact O-N 2.81Å; K100-S102 VanDerWaalsContact C-N 3.34Å; S102-H106 PolarHBondContact O-N 3.49Å; S102-H106 VanDerWaalsContact O-N 3.11Å; S102-H106 PolarHBondContact O-ND1 3.14Å |
| 103 | I | 81.2 | Confident | 76.1 | Confident | 96 Ų | 96 | 105.6 Ų | 105.6 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.7 | -44.5 | 177.2 | -64.3 | 165 | 0 | 0 | 0 | 111.4 | V99 K100 H106 R107 | V99-I103 HydrophobicContact CG1-CD1 3.78Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.47Å; V99-I103 PolarHBondContact O-N 3.32Å; K100-I103 PolarHBondContact O-N 2.86Å; I103-H106 PolarHBondContact O-N 2.95Å; I103-R107 PolarHBondContact O-N 3.05Å |
| 104 | L | 80.4 | Confident | 73.9 | Confident | 76 Ų | 76 | 107.4 Ų | 107.4 | 40% | 0.398 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 178.4 | -72.1 | 176 | 0 | 0 | 0 | 111.9 | K100 N101 R107 R108 | K100-L104 HydrophobicContact CD-CD1 4.31Å; K100-L104 HydrophobicContact CG-CD1 3.8Å; K100-L104 HydrophobicContact CG-CG 4.3Å; K100-L104 VanDerWaalsContact O-CB 3.32Å; K100-L104 WeakPolarHBondContact O-CB 3.34Å; K100-L104 VanDerWaalsContact O-CG 3.22Å; K100-L104 WeakPolarHBondContact O-CG 3.29Å; K100-L104 PolarHBondContact O-N 3.5Å; N101-L104 PolarHBondContact O-N 2.86Å; L104-R107 PolarHBondContact O-N 3.28Å; L104-R108 PolarHBondContact O-N 3.06Å |
| 105 | G | 72.4 | Confident | 72.2 | Confident | 34 Ų | 34 | 109 Ų | 109 | 35% | 0.351 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N101 R107 R108 T109 | N101-G105 WeakPolarHBondContact O-CA 3.22Å; N101-G105 PolarHBondContact O-N 3.36Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 2.91Å; G105-R108 PolarHBondContact O-N 3.43Å; G105-T109 PolarHBondContact O-N 3.34Å |
| 106 | H | 60.5 | Low | 70.2 | Confident | 117 Ų | 117 | 112 Ų | 112 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.2 | -40.3 | 173.5 | -89.1 | 75.5 | 0 | 0 | 0 | 112.1 | S102 I103 R108 T109 F110 | S102-H106 PolarHBondContact O-N 3.49Å; S102-H106 VanDerWaalsContact O-N 3.11Å; S102-H106 PolarHBondContact O-ND1 3.14Å; I103-H106 PolarHBondContact O-N 2.95Å; H106-R108 VanDerWaalsContact C-N 3.31Å; H106-R108 PolarHBondContact O-N 3.08Å; H106-T109 PolarHBondContact O-N 3.19Å; H106-T109 PolarHBondContact O-OG1 3.42Å; H106-T109 VanDerWaalsContact O-OG1 3.06Å; H106-F110 VanDerWaalsContact O-CD2 3.29Å; H106-F110 WeakPolarHBondContact O-CD2 3.32Å |
| 107 | R | 59.3 | Low | 68.6 | Low | 191 Ų | 191 | 116.6 Ų | 116.6 | 72% | 0.721 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -28.8 | -179.8 | -73.4 | -171.5 | 171.1 | -155.8 | -2.1 | 114 | I103 L104 G105 | I103-R107 PolarHBondContact O-N 3.05Å; L104-R107 PolarHBondContact O-N 3.28Å; G105-R107 VanDerWaalsContact C-N 3.28Å; G105-R107 PolarHBondContact O-N 2.91Å |
| 108 | R | 61 | Low | 66.6 | Low | 184 Ų | 184 | 122 Ų | 122 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.6 | -24.1 | -178.8 | -70.6 | -175.2 | 174.9 | 123 | -3.4 | 113.3 | L104 G105 H106 | L104-R108 PolarHBondContact O-N 3.06Å; G105-R108 PolarHBondContact O-N 3.43Å; H106-R108 VanDerWaalsContact C-N 3.31Å; H106-R108 PolarHBondContact O-N 3.08Å |
| 109 | T | 57.4 | Low | 64.7 | Low | 98 Ų | 98 | 123.7 Ų | 123.7 | 60% | 0.601 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.7 | -14.6 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | G105 H106 | G105-T109 PolarHBondContact O-N 3.34Å; H106-T109 PolarHBondContact O-N 3.19Å; H106-T109 PolarHBondContact O-OG1 3.42Å; H106-T109 VanDerWaalsContact O-OG1 3.06Å |
| 110 | F | 56.1 | Low | 63.1 | Low | 156 Ų | 156 | 125.2 Ų | 125.2 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -85.2 | -17.9 | 179.6 | -87.8 | -81.3 | 0 | 0 | 0 | 114.9 | H106 | H106-F110 VanDerWaalsContact O-CD2 3.29Å; H106-F110 WeakPolarHBondContact O-CD2 3.32Å |
| 111 | S | 57.4 | Low | 61.4 | Low | 90 Ų | 90 | 132.9 Ų | 132.9 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -95 | -1 | -175.9 | 66.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 112 | V | 55.1 | Low | 60.1 | Low | 85 Ų | 85 | 135.1 Ų | 135.1 | 52% | 0.515 | 68% | 0.676 | S | S | . | * | trans | -119.1 | 45.4 | 176.6 | -162.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 113 | I | 53.8 | Low | 58.9 | Low | 136 Ų | 136 | 138.7 Ų | 138.7 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | trans | -104.6 | 72 | 155.4 | -51.9 | 179.7 | 0 | 0 | 0 | 105.8 | ||||
| 114 | L | 47.8 | Very low | 57.6 | Low | 137 Ų | 137 | 141.1 Ų | 141.1 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | -71.3 | 128.1 | 167.3 | -69.5 | 177.5 | 0 | 0 | 0 | 107.5 | Y116 | L114-Y116 PolarHBondContact O-N 3.34Š| ||
| 115 | P | 56.1 | Low | 56.3 | Low | 103 Ų | 103 | 144.9 Ų | 144.9 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | trans | -61.1 | 124.5 | 174.3 | 25.9 | -31.4 | 0 | 0 | 0 | 108 | F117 | P115-F117 PolarHBondContact O-N 3.36Š| ||
| 116 | Y | 51 | Low | 55.3 | Low | 193 Ų | 193 | 151.8 Ų | 151.8 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | -52.3 | 115 | 168.9 | -91.7 | -104.2 | 0 | 0 | 0 | 108.4 | L114 E118 | L114-Y116 PolarHBondContact O-N 3.34Å; Y116-E118 PolarHBondContact O-N 3.26Å | ||
| 117 | F | 58.2 | Low | 55 | Low | 194 Ų | 194 | 154.1 Ų | 154.1 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -65.9 | 114.4 | 159.6 | -82.9 | -91.1 | 0 | 0 | 0 | 107 | P115 L119 | P115-F117 PolarHBondContact O-N 3.36Å; F117-L119 PolarHBondContact O-N 3.23Å | ||
| 118 | E | 49.4 | Very low | 54.6 | Low | 187 Ų | 187 | 151.5 Ų | 151.5 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -64.7 | 103 | 162.7 | -98.3 | -174.3 | 151.9 | 0 | 0 | 108.1 | Y116 S120 | Y116-E118 PolarHBondContact O-N 3.26Å; E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 PolarHBondContact O-N 2.85Å; E118-S120 VanDerWaalsContact O-N 3.14Å | ||
| 119 | L | 49.8 | Very low | 54.1 | Low | 173 Ų | 173 | 149 Ų | 149 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | -72.2 | 91.2 | 156.4 | -83 | 156.7 | 0 | 0 | 0 | 107.2 | F117 | F117-L119 PolarHBondContact O-N 3.23Š| ||
| 120 | S | 56.7 | Low | 53.9 | Low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -83.6 | 134 | 154.9 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | E118 | E118-S120 VanDerWaalsContact C-N 3.31Å; E118-S120 PolarHBondContact O-N 2.85Å; E118-S120 VanDerWaalsContact O-N 3.14Å | ||
| 121 | K | 55.3 | Low | 53.7 | Low | 277 Ų | 277 | 153 Ų | 153 | 100% | 1.204 | 78% | 0.78 | S | S | * | * | trans | -56.7 | 0 | 170.5 | -76.5 | 176.6 | 175.1 | 177 | 0 | 112.1 |
Retrieved 121 of 121 residues in 157.9 ms
(Link to these results)