| 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 | 42 | Very low | 46.6 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 100% | 1.172 | 80% | 0.802 | S | S | * | * | 0 | 122.2 | 0 | -55.8 | -172.8 | 125.2 | 0 | 0 | 106.5 | |||||
| 2 | S | 43.4 | Very low | 46.9 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | cis | -167.5 | 147.8 | -3.5 | -76.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 3 | S | 46.8 | Very low | 46.5 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 45.6 | 116.1 | 146.5 | 58.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 4 | L | 46.5 | Very low | 46.2 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | 68.7 | 101.5 | 67.4 | -68.8 | 172.6 | 0 | 0 | 0 | 116.3 | |||||
| 5 | L | 51.6 | Low | 46.4 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 61 | 177.1 | 134.1 | -55.4 | -179 | 0 | 0 | 0 | 120.1 | ||||
| 6 | P | 59.7 | Low | 46.5 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | -138 | 168.3 | -66.5 | 40.5 | -25 | 0 | 0 | 0 | 112.5 | |||||
| 7 | F | 37.5 | Very low | 46.5 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -159.3 | 103.3 | 159.9 | -116.8 | -92 | 0 | 0 | 0 | 109.4 | ||||
| 8 | T | 49.9 | Very low | 46.3 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 72% | 0.718 | 82% | 0.815 | S | S | * | * | 39.9 | 133.6 | 100.1 | 82 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 9 | S | 41.1 | Very low | 46.3 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | cis | -156.8 | 173.7 | 32.6 | 63.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 10 | S | 45.5 | Very low | 46.3 | Very low | 100 Ų | 100 | 154.4 Ų | 154.4 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | cis | -176 | 140.5 | 46.6 | 166.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 11 | L | 48.8 | Very low | 46.2 | Very low | 166 Ų | 166 | 157.9 Ų | 157.9 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -93.6 | 123.2 | 174.7 | -107.2 | 143.7 | 0 | 0 | 0 | 109.4 | ||||
| 12 | L | 50.2 | Low | 46.3 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -144.5 | 121.1 | 147.9 | -89.4 | 100 | 0 | 0 | 0 | 106.7 | ||||
| 13 | G | 41.4 | Very low | 46.7 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 107.3 | 88 | 22 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 14 | A | 42.7 | Very low | 46.7 | Very low | 100 Ų | 100 | 152.8 Ų | 152.8 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -151 | 57.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111 | R16 | A14-R16 PolarHBondContact O-N 3.49Š| ||
| 15 | S | 48.2 | Very low | 47 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -82.6 | 107.5 | 161.3 | -171 | 0 | 0 | 0 | 0 | 107.6 | R17 | S15-R17 PolarHBondContact O-N 2.81Š| ||
| 16 | R | 48.4 | Very low | 47 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | -69.3 | 97.8 | 175.4 | -72.8 | -178.8 | -171.9 | -114.4 | 0.7 | 108.2 | A14 F18 | A14-R16 PolarHBondContact O-N 3.49Å; R16-F18 PolarHBondContact O-N 3.41Å | ||
| 17 | R | 46.3 | Very low | 47 | Very low | 224 Ų | 224 | 149.9 Ų | 149.9 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -67.3 | 117.2 | 171.4 | -65.5 | -178.8 | -152 | -160.5 | 4.5 | 108.7 | S15 M19 | S15-R17 PolarHBondContact O-N 2.81Å; R17-M19 PolarHBondContact O-N 3.38Å; R17-M19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | F | 43.1 | Very low | 48.1 | Very low | 214 Ų | 214 | 146.5 Ų | 146.5 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | trans | -59.6 | 101.8 | 161.1 | -116.1 | -106.3 | 0 | 0 | 0 | 108 | R16 | R16-F18 PolarHBondContact O-N 3.41Š| ||
| 19 | M | 46.3 | Very low | 48.5 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 80% | 0.803 | 82% | 0.816 | S | S | * | * | trans | -85.5 | 106.8 | 169.5 | -88.3 | -179.6 | 63.8 | 0 | 0 | 108.5 | R17 | R17-M19 PolarHBondContact O-N 3.38Å; R17-M19 VanDerWaalsContact O-N 3.07Å | ||
| 20 | W | 47.1 | Very low | 49.1 | Very low | 258 Ų | 258 | 151.1 Ų | 151.1 | 98% | 0.977 | 82% | 0.819 | S | S | * | * | trans | -80.4 | 122.3 | 156.3 | -125.2 | -0.8 | 0 | 0 | 0 | 107.6 | ||||
| 21 | R | 43.3 | Very low | 49.5 | Very low | 228 Ų | 228 | 151.4 Ų | 151.4 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -104.6 | 118.7 | 174 | -166.9 | 170.8 | 176.6 | -125 | -0.3 | 108.6 | ||||
| 22 | S | 45 | Very low | 50 | Low | 95 Ų | 95 | 151.4 Ų | 151.4 | 66% | 0.664 | 82% | 0.821 | S | S | * | * | trans | -79 | 136.9 | 175.1 | -172 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 23 | T | 50.3 | Low | 50.8 | Low | 122 Ų | 122 | 148.9 Ų | 148.9 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 40.1 | 129.6 | 146.1 | 60 | 0 | 0 | 0 | 0 | 119 | ||||
| 24 | S | 48.8 | Very low | 52.1 | Low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | -173.5 | 148.1 | 68.2 | 45.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 25 | G | 52.3 | Low | 53.3 | Low | 70 Ų | 70 | 152.1 Ų | 152.1 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 86.1 | 105.8 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 26 | L | 51.8 | Low | 54.2 | Low | 170 Ų | 170 | 151 Ų | 151 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | 167.2 | 118.1 | 115.6 | -84.9 | 161 | 0 | 0 | 0 | 112.6 | |||||
| 27 | S | 59.2 | Low | 54.8 | Low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 46.2 | 143.5 | 149.1 | -45.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 28 | P | 61.3 | Low | 55.6 | Low | 125 Ų | 125 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -93.3 | 128.6 | -169.7 | 36.7 | -28.6 | 0 | 0 | 0 | 111.9 | ||||
| 29 | L | 57.6 | Low | 56.6 | Low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -120 | 123.9 | 162.6 | -74.1 | 172.9 | 0 | 0 | 0 | 108.7 | S31 | L29-S31 PolarHBondContact O-N 3.26Š| ||
| 30 | L | 53.7 | Low | 57.4 | Low | 165 Ų | 165 | 136.9 Ų | 136.9 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -13.4 | 107.7 | -177.8 | -73.4 | 85.8 | 0 | 0 | 0 | 115.5 | L32 | L30-L32 PolarHBondContact O-N 2.89Š| ||
| 31 | S | 54.2 | Low | 58.3 | Low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -70.1 | 95.7 | 162 | 58.8 | 0 | 0 | 0 | 0 | 108.7 | L29 T33 | L29-S31 PolarHBondContact O-N 3.26Å; S31-T33 PolarHBondContact O-N 3.48Å | ||
| 32 | L | 58.2 | Low | 59.2 | Low | 167 Ų | 167 | 122.6 Ų | 122.6 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -67.4 | 92.7 | 160.9 | -161.1 | 78.2 | 0 | 0 | 0 | 106.5 | L30 P34 | L30-L32 PolarHBondContact O-N 2.89Å; L32-P34 WeakPolarHBondContact O-CD 3.4Å | ||
| 33 | T | 66.8 | Low | 59.5 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | -59.9 | 120.8 | 170.2 | 37.4 | 0 | 0 | 0 | 0 | 107.3 | S31 | S31-T33 PolarHBondContact O-N 3.48Š| ||
| 34 | P | 69 | Low | 59.9 | Low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | trans | -59 | 134.2 | 168.8 | 24.5 | -30.8 | 0 | 0 | 0 | 107 | L32 A36 | L32-P34 WeakPolarHBondContact O-CD 3.4Å; P34-A36 PolarHBondContact O-N 2.78Å | ||
| 35 | P | 68.4 | Low | 60 | Low | 124 Ų | 124 | 126.9 Ų | 126.9 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -57.9 | 115.2 | 176.4 | 24.6 | -32.2 | 0 | 0 | 0 | 107 | ||||
| 36 | A | 67.1 | Low | 60 | Low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -52.6 | 127.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | P34 S38 | P34-A36 PolarHBondContact O-N 2.78Å; A36-S38 PolarHBondContact O-N 2.78Å | ||
| 37 | P | 62.3 | Low | 60.5 | Low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | trans | -58.2 | 117.1 | 174.2 | 22.3 | -30.2 | 0 | 0 | 0 | 106.9 | W39 | P37-W39 VanDerWaalsContact O-CD1 3.29Å; P37-W39 PolarHBondContact O-N 3.23Å | ||
| 38 | S | 63 | Low | 60.7 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 65.9 | 172.5 | 50.9 | 0 | 0 | 0 | 0 | 108.7 | A36 V40 | A36-S38 PolarHBondContact O-N 2.78Å; S38-V40 PolarHBondContact O-N 2.94Å | ||
| 39 | W | 62.8 | Low | 61 | Low | 206 Ų | 206 | 127.5 Ų | 127.5 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | -73.8 | 62.8 | 164.3 | 71.4 | -74.2 | 0 | 0 | 0 | 107.8 | P37 V41 | P37-W39 VanDerWaalsContact O-CD1 3.29Å; P37-W39 PolarHBondContact O-N 3.23Å; W39-V41 HydrophobicContact CD2-CG2 4.38Å; W39-V41 HydrophobicContact CE3-CG2 3.22Å; W39-V41 HydrophobicContact CZ3-CG2 3.35Å; W39-V41 PolarHBondContact O-N 2.97Å | ||
| 40 | V | 64.3 | Low | 61.8 | Low | 127 Ų | 127 | 125.9 Ų | 125.9 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | -64.8 | 94.9 | 161.9 | -178.5 | 0 | 0 | 0 | 0 | 104.4 | S38 A42 | S38-V40 PolarHBondContact O-N 2.94Å; V40-A42 VanDerWaalsContact C-N 3.27Å; V40-A42 PolarHBondContact O-N 2.85Å | ||
| 41 | V | 64.6 | Low | 63.1 | Low | 100 Ų | 100 | 119.4 Ų | 119.4 | 61% | 0.606 | 68% | 0.681 | S | S | * | * | trans | -61.6 | 102.5 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 104.7 | W39 F43 | W39-V41 HydrophobicContact CD2-CG2 4.38Å; W39-V41 HydrophobicContact CE3-CG2 3.22Å; W39-V41 HydrophobicContact CZ3-CG2 3.35Å; W39-V41 PolarHBondContact O-N 2.97Å; V41-F43 VanDerWaalsContact C-N 3.32Å; V41-F43 PolarHBondContact O-N 3.34Å | ||
| 42 | A | 62.3 | Low | 64.3 | Low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | trans | -55 | 105.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | V40 G44 | V40-A42 VanDerWaalsContact C-N 3.27Å; V40-A42 PolarHBondContact O-N 2.85Å; A42-G44 VanDerWaalsContact C-N 3.25Å; A42-G44 PolarHBondContact O-N 3.47Å | ||
| 43 | F | 52.2 | Low | 65.5 | Low | 171 Ų | 171 | 114.5 Ų | 114.5 | 75% | 0.75 | 65% | 0.654 | S | S | * | * | trans | -63.5 | 95.9 | 175 | -174 | -95.9 | 0 | 0 | 0 | 106 | V41 K45 | V41-F43 VanDerWaalsContact C-N 3.32Å; V41-F43 PolarHBondContact O-N 3.34Å; F43-K45 PolarHBondContact O-N 3.36Å | ||
| 44 | G | 58.9 | Low | 66.4 | Low | 54 Ų | 54 | 110.8 Ų | 110.8 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | trans | -48.7 | 131.2 | -178 | 0 | 0 | 0 | 0 | 0 | 109.2 | A42 K46 | A42-G44 VanDerWaalsContact C-N 3.25Å; A42-G44 PolarHBondContact O-N 3.47Å; G44-K46 PolarHBondContact O-N 3.22Å | ||
| 45 | K | 50.8 | Low | 67.4 | Low | 201 Ų | 201 | 110 Ų | 110 | 87% | 0.874 | 62% | 0.619 | S | S | * | * | trans | -48.2 | 114.9 | 172.1 | -66.4 | 175.1 | 178.6 | 176.1 | 0 | 106.3 | F43 D47 | F43-K45 PolarHBondContact O-N 3.36Å; K45-D47 PolarHBondContact O-N 2.87Å | ||
| 46 | K | 52.3 | Low | 68.4 | Low | 167 Ų | 167 | 110.9 Ų | 110.9 | 73% | 0.726 | 61% | 0.613 | S | S | * | * | trans | -48.6 | 128.4 | 176.7 | -81.9 | 176.1 | 175.2 | 173 | 0 | 107.6 | G44 L48 | G44-K46 PolarHBondContact O-N 3.22Å; K46-L48 PolarHBondContact O-N 3.48Å | ||
| 47 | D | 60.8 | Low | 69.6 | Low | 150 Ų | 150 | 115.5 Ų | 115.5 | 80% | 0.802 | 62% | 0.62 | S | S | * | * | trans | -62.1 | 82.2 | 173.5 | -50.1 | -75.2 | 0 | 0 | 0 | 108.6 | K45 | K45-D47 PolarHBondContact O-N 2.87Š| ||
| 48 | L | 64 | Low | 71.1 | Confident | 143 Ų | 143 | 113.9 Ų | 113.9 | 75% | 0.749 | 60% | 0.603 | S | S | * | * | trans | -73.7 | 122.2 | 177.3 | -166.4 | 71 | 0 | 0 | 0 | 105.8 | K46 D50 | K46-L48 PolarHBondContact O-N 3.48Å; L48-D50 PolarHBondContact O-N 2.87Å | ||
| 49 | P | 66.9 | Low | 72.6 | Confident | 23 Ų | 23 | 110 Ų | 110 | 15% | 0.149 | 57% | 0.573 | C | S | . | * | trans | -57.4 | 140.7 | 178.3 | 23.2 | -30.9 | 0 | 0 | 0 | 109.2 | L51 L126 | P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 HydrophobicContact CG-CD1 4.49Å; P49-L51 HydrophobicContact CG-CD2 4.46Å; P49-L51 HydrophobicContact CG-CG 4.24Å; P49-L51 PolarHBondContact O-N 2.89Å; P49-L126 HydrophobicContact CB-CD2 4.36Å; P49-L126 HydrophobicContact CG-CD2 3.78Å | ||
| 50 | D | 75.7 | Confident | 74.2 | Confident | 131 Ų | 131 | 103.8 Ų | 103.8 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | trans | -70.3 | 92.7 | 175.1 | -171.1 | 33.6 | 0 | 0 | 0 | 108.9 | L48 K120 | L48-D50 PolarHBondContact O-N 2.87Å; D50-K120 PolarHBondContact O-NZ 3.16Å; D50-K120 VanDerWaalsContact O-NZ 3.13Å | ||
| 51 | L | 79.9 | Confident | 75.7 | Confident | 29 Ų | 29 | 100.9 Ų | 100.9 | 15% | 0.152 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 145.6 | -177.5 | -70.1 | 172.9 | 0 | 0 | 0 | 109.9 | P49 R112 D116 L126 | P49-L51 VanDerWaalsContact C-N 3.32Å; P49-L51 HydrophobicContact CG-CD1 4.49Å; P49-L51 HydrophobicContact CG-CD2 4.46Å; P49-L51 HydrophobicContact CG-CG 4.24Å; P49-L51 PolarHBondContact O-N 2.89Å; L51-R112 HydrophobicContact CB-CB 4.24Å; L51-R112 HydrophobicContact CD1-CB 4.08Å; L51-D116 HydrophobicContact CD2-CB 3.87Å; L51-L126 HydrophobicContact CD2-CD1 4.04Å |
| 52 | P | 80.6 | Confident | 77.2 | Confident | 35 Ų | 35 | 101.7 Ų | 101.7 | 23% | 0.227 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 141.6 | 178.9 | 24.9 | -33.5 | 0 | 0 | 0 | 111.4 | L54 R112 L115 | P52-L54 PolarHBondContact O-N 3.07Å; P52-R112 WeakPolarHBondContact O-CD 3.1Å; P52-L115 HydrophobicContact CG-CB 4.05Å |
| 53 | V | 83.8 | Confident | 78.8 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 82% | 0.818 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 129.7 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 54 | L | 85.1 | Confident | 80.9 | Confident | 33 Ų | 33 | 96.8 Ų | 96.8 | 17% | 0.173 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 123.1 | 173.8 | -81.3 | 180 | 0 | 0 | 0 | 109.9 | P52 L59 R108 M111 R112 L115 | P52-L54 PolarHBondContact O-N 3.07Å; L54-L59 HydrophobicContact CD1-CD1 4.43Å; L54-R108 HydrophobicContact CD1-CB 4.25Å; L54-M111 HydrophobicContact CD1-CB 4.34Å; L54-M111 HydrophobicContact CD1-CG 4.37Å; L54-M111 HydrophobicContact CD2-CG 4.41Å; L54-R112 HydrophobicContact CD1-CG 3.53Å; L54-R112 HydrophobicContact CG-CG 3.62Å; L54-L115 HydrophobicContact CD2-CD1 3.39Å |
| 55 | L | 89.6 | Confident | 82.5 | Confident | 95 Ų | 95 | 102 Ų | 102 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 132.1 | 168.2 | -60.3 | 178.5 | 0 | 0 | 0 | 109.3 | E57 E58 | L55-E57 PolarHBondContact O-N 3.42Å; L55-E58 HydrophobicContact CB-CG 4.31Å; L55-E58 PolarHBondContact O-N 2.81Å |
| 56 | E | 89.3 | Confident | 84.2 | Confident | 142 Ų | 142 | 93 Ų | 93 | 66% | 0.664 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -69.6 | -24.1 | -178.8 | -61.7 | -160.1 | 158.6 | 0 | 0 | 112.6 | E58 L59 | E56-E58 VanDerWaalsContact C-N 3.3Å; E56-E58 PolarHBondContact O-N 2.88Å; E56-L59 PolarHBondContact O-N 2.85Å |
| 57 | E | 92.8 | Very high | 85.8 | Confident | 183 Ų | 183 | 90.9 Ų | 90.9 | 86% | 0.855 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -70.2 | -24.9 | -178.9 | -59.9 | 178.4 | -176.2 | 0 | 0 | 113.3 | L55 L59 | L55-E57 PolarHBondContact O-N 3.42Å; E57-L59 VanDerWaalsContact C-N 3.3Å |
| 58 | E | 92.5 | Very high | 86.9 | Confident | 73 Ų | 73 | 85.9 Ų | 85.9 | 34% | 0.341 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -89.9 | 3.6 | -179.8 | -61.1 | -178.5 | 177.2 | 0 | 0 | 113 | L55 E56 H85 I86 | L55-E58 HydrophobicContact CB-CG 4.31Å; L55-E58 PolarHBondContact O-N 2.81Å; E56-E58 VanDerWaalsContact C-N 3.3Å; E56-E58 PolarHBondContact O-N 2.88Å; E58-H85 IonicContact OE2-CD2 2.61Å; E58-H85 IonicContact OE2-CE1 3.42Å; E58-H85 IonicContact OE2-NE2 2.89Å; E58-H85 PolarHBondContact OE2-NE2 2.84Å; E58-I86 WeakPolarHBondContact O-CG1 3.45Å; E58-I86 PolarHBondContact O-N 2.84Å |
| 59 | L | 95 | Very high | 87.7 | Confident | 26 Ų | 26 | 86.2 Ų | 86.2 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.7 | -172.4 | -65.5 | 175.8 | 0 | 0 | 0 | 111.3 | L54 E56 E57 L83 K84 H85 M111 | L54-L59 HydrophobicContact CD1-CD1 4.43Å; E56-L59 PolarHBondContact O-N 2.85Å; E57-L59 VanDerWaalsContact C-N 3.3Å; L59-L83 HydrophobicContact CB-CD1 4.09Å; L59-L83 HydrophobicContact CD2-CD1 4.38Å; L59-L83 HydrophobicContact CD2-CD2 4.45Å; L59-L83 HydrophobicContact CD2-CG 4.29Å; L59-K84 WeakPolarHBondContact CA-O 3.47Å; L59-H85 HydrophobicContact CD2-CB 4.13Å; L59-M111 HydrophobicContact CD2-SD 3.32Å; L59-M111 WeakPolarHBondContact CD2-SD 3.25Å |
| 60 | E | 95.9 | Very high | 88.3 | Confident | 75 Ų | 75 | 86.6 Ų | 86.6 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.7 | 167.7 | -72 | 172.5 | 178.5 | 0 | 0 | 109 | K84 I86 | E60-K84 HydrophobicContact CB-CB 4.26Å; E60-K84 PolarHBondContact N-O 3.38Å; E60-K84 PolarHBondContact O-N 3.31Å; E60-K84 IonicContact OE1-NZ 3.68Å; E60-K84 WeakPolarHBondContact OE2-CD 3.25Å; E60-K84 IonicContact OE2-NZ 2.81Å; E60-K84 PolarHBondContact OE2-NZ 2.81Å; E60-I86 HydrophobicContact CG-CD1 3.87Å; E60-I86 HydrophobicContact CG-CG1 3.78Å |
| 61 | E | 96.4 | Very high | 88.7 | Confident | 66 Ų | 66 | 82.8 Ų | 82.8 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129 | 177.7 | -167.9 | 178.8 | 159.8 | 0 | 0 | 110.8 | F63 V81 L83 R104 R108 | E61-F63 HydrophobicContact CG-CZ 4.29Å; E61-F63 WeakPolarHBondContact OE1-CE1 3.28Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.47Å; E61-V81 HydrophobicContact CG-CG1 4.01Å; E61-L83 HydrophobicContact CB-CD1 4.12Å; E61-L83 HydrophobicContact CG-CD1 4.34Å; E61-R104 WeakPolarHBondContact OE1-CD 3.36Å; E61-R104 WeakPolarHBondContact OE1-CG 3.41Å; E61-R104 IonicContact OE1-NE 3.63Å; E61-R104 PolarHBondContact OE1-NE 2.86Å; E61-R104 VanDerWaalsContact OE1-NE 3.12Å; E61-R104 IonicContact OE2-NE 3.1Å; E61-R104 PolarHBondContact OE2-NE 2.74Å; E61-R108 IonicContact OE2-NH2 3.44Å |
| 62 | Q | 96.7 | Very high | 89 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.1 | 175.7 | -63.8 | -177.8 | 1.1 | 0 | 0 | 111 | V82 | Q62-V82 HydrophobicContact CB-CB 4.34Å; Q62-V82 PolarHBondContact N-O 2.91Å; Q62-V82 PolarHBondContact O-N 3.13Å |
| 63 | F | 96.6 | Very high | 89.1 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.5 | 174.8 | -57 | -71.4 | 0 | 0 | 0 | 110.4 | E61 C80 V81 V100 R104 | E61-F63 HydrophobicContact CG-CZ 4.29Å; E61-F63 WeakPolarHBondContact OE1-CE1 3.28Å; E61-F63 WeakPolarHBondContact OE1-CZ 3.47Å; F63-C80 WeakPolarHBondContact CA-O 3.41Å; F63-V81 HydrophobicContact CD1-CG2 4.04Å; F63-V81 HydrophobicContact CE1-CG2 3.97Å; F63-V100 HydrophobicContact CD1-CG1 3.65Å; F63-V100 HydrophobicContact CE1-CG1 3.21Å; F63-V100 HydrophobicContact CZ-CG1 4.02Å; F63-R104 HydrophobicContact CE1-CG 4.18Å |
| 64 | V | 95 | Very high | 89.3 | Confident | 53 Ų | 53 | 85 Ų | 85 | 32% | 0.321 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 164.2 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | S78 N79 C80 V82 | V64-S78 CarbonylContact O-C 3.4Å; V64-S78 WeakPolarHBondContact O-CA 3.44Å; V64-N79 PolarHBondContact O-N 3.38Å; V64-C80 HydrophobicContact CG2-CB 3.64Å; V64-C80 VanDerWaalsContact CG2-SG 3.57Å; V64-C80 PolarHBondContact N-O 3.26Å; V64-C80 VanDerWaalsContact O-CB 3.27Å; V64-C80 WeakPolarHBondContact O-CB 3.09Å; V64-C80 PolarHBondContact O-N 3.48Å; V64-V82 HydrophobicContact CB-CG2 4.35Å; V64-V82 HydrophobicContact CG1-CG2 3.86Å; V64-V82 HydrophobicContact CG2-CG2 3.53Å |
| 65 | R | 93.1 | Very high | 89.3 | Confident | 165 Ų | 165 | 88.1 Ų | 88.1 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | trans | -74.6 | 145.5 | 171 | -67.4 | 178.3 | 174.1 | 99.8 | 2.9 | 109.6 | N75 | R65-N75 VanDerWaalsContact CD-O 3.3Å; R65-N75 WeakPolarHBondContact CD-O 3.49Å | ||
| 66 | G | 85.8 | Confident | 89.2 | Confident | 10 Ų | 10 | 90.1 Ų | 90.1 | 10% | 0.103 | 50% | 0.495 | C | S | . | . | trans | -61.4 | 149.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 67 | S | 85.5 | Confident | 89.3 | Confident | 123 Ų | 123 | 86.5 Ų | 86.5 | 86% | 0.86 | 48% | 0.483 | S | S | * | . | trans | -111.4 | 141.6 | 174 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 68 | G | 84.6 | Confident | 89.4 | Confident | 45 Ų | 45 | 80.6 Ų | 80.6 | 46% | 0.464 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 133.9 | 176.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G70 | G68-G70 VanDerWaalsContact C-N 3.35Å; G68-G70 PolarHBondContact O-N 3.12Å |
| 69 | P | 81.3 | Confident | 89.5 | Confident | 150 Ų | 150 | 77.6 Ų | 77.6 | 97% | 0.974 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -64.4 | 96.7 | 172.5 | 27.6 | -32.6 | 0 | 0 | 0 | 108.6 | ||
| 70 | G | 78.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 32% | 0.32 | 45% | 0.445 | S | S | . | . | trans | -128.6 | 154.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G68 | G68-G70 VanDerWaalsContact C-N 3.35Å; G68-G70 PolarHBondContact O-N 3.12Å | ||
| 71 | G | 85.9 | Confident | 89.5 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | trans | -78.2 | -170.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A73 T74 N75 | G71-A73 PolarHBondContact O-N 2.91Å; G71-A73 VanDerWaalsContact O-N 3.1Å; G71-T74 PolarHBondContact O-N 3.42Å; G71-T74 VanDerWaalsContact O-N 3.12Å; G71-N75 PolarHBondContact O-N 3.32Å | ||
| 72 | Q | 84.9 | Confident | 89.6 | Confident | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -53.7 | -35.3 | -179.2 | -62.7 | -166.8 | 23.9 | 0 | 0 | 113.7 | K76 | Q72-K76 WeakPolarHBondContact O-CB 3.07Å; Q72-K76 VanDerWaalsContact O-CG 3.3Å; Q72-K76 WeakPolarHBondContact O-CG 3.32Å; Q72-K76 PolarHBondContact O-N 2.91Å; Q72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | A | 83.4 | Confident | 89.6 | Confident | 69 Ų | 69 | 65.6 Ų | 65.6 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G71 T77 | G71-A73 PolarHBondContact O-N 2.91Å; G71-A73 VanDerWaalsContact O-N 3.1Å; A73-T77 WeakPolarHBondContact O-CB 3.49Å; A73-T77 PolarHBondContact O-N 3.45Å; A73-T77 VanDerWaalsContact O-N 3.09Å; A73-T77 PolarHBondContact O-OG1 3.21Å |
| 74 | T | 86.5 | Confident | 89.6 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | -179.1 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | G71 | G71-T74 PolarHBondContact O-N 3.42Å; G71-T74 VanDerWaalsContact O-N 3.12Å |
| 75 | N | 86.8 | Confident | 89.7 | Confident | 97 Ų | 97 | 62 Ų | 62 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -79.2 | -26 | -176.6 | -64.7 | -14.4 | 0 | 0 | 0 | 112.9 | R65 G71 | R65-N75 VanDerWaalsContact CD-O 3.3Å; R65-N75 WeakPolarHBondContact CD-O 3.49Å; G71-N75 PolarHBondContact O-N 3.32Å |
| 76 | K | 87.3 | Confident | 89.8 | Confident | 137 Ų | 137 | 58 Ų | 58 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -91.3 | -40.9 | -177.9 | -69.4 | 174 | 179.1 | 175.4 | 0 | 112.3 | Q72 | Q72-K76 WeakPolarHBondContact O-CB 3.07Å; Q72-K76 VanDerWaalsContact O-CG 3.3Å; Q72-K76 WeakPolarHBondContact O-CG 3.32Å; Q72-K76 PolarHBondContact O-N 2.91Å; Q72-K76 VanDerWaalsContact O-N 3.13Å |
| 77 | T | 91.8 | Very high | 90.2 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 41% | 0.411 | 39% | 0.386 | S | S | . | . | trans | -90.4 | 128.9 | -170.1 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | A73 N79 | A73-T77 WeakPolarHBondContact O-CB 3.49Å; A73-T77 PolarHBondContact O-N 3.45Å; A73-T77 VanDerWaalsContact O-N 3.09Å; A73-T77 PolarHBondContact O-OG1 3.21Å; T77-N79 HydrophobicContact CG2-CB 4.05Å; T77-N79 PolarHBondContact O-N 2.94Å | ||
| 78 | S | 93.6 | Very high | 90.6 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | trans | -87 | 69.1 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | V64 | V64-S78 CarbonylContact O-C 3.4Å; V64-S78 WeakPolarHBondContact O-CA 3.44Å | ||
| 79 | N | 94.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | trans | -105.1 | -2.8 | -178.6 | 62 | -2.5 | 0 | 0 | 0 | 115.1 | V64 T77 H95 R98 V100 N103 | V64-N79 PolarHBondContact O-N 3.38Å; T77-N79 HydrophobicContact CG2-CB 4.05Å; T77-N79 PolarHBondContact O-N 2.94Å; N79-H95 PolarHBondContact OD1-CD2 3.38Å; N79-H95 PolarHBondContact OD1-NE2 3.05Å; N79-R98 WeakPolarHBondContact ND2-CA 3.37Å; N79-R98 PolarHBondContact ND2-O 2.89Å; N79-V100 HydrophobicContact CB-CG2 4.03Å; N79-N103 PolarHBondContact O-ND2 3.18Å | ||
| 80 | C | 95.7 | Very high | 91.7 | Very high | 11 Ų | 11 | 53 Ų | 53 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.7 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | F63 V64 H95 | F63-C80 WeakPolarHBondContact CA-O 3.41Å; V64-C80 HydrophobicContact CG2-CB 3.64Å; V64-C80 VanDerWaalsContact CG2-SG 3.57Å; V64-C80 PolarHBondContact N-O 3.26Å; V64-C80 VanDerWaalsContact O-CB 3.27Å; V64-C80 WeakPolarHBondContact O-CB 3.09Å; V64-C80 PolarHBondContact O-N 3.48Å; C80-H95 HydrophobicContact CB-CB 4.02Å |
| 81 | V | 97 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.5 | 179 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | E61 F63 K93 C94 V100 N103 R104 A107 | E61-V81 HydrophobicContact CG-CG1 4.01Å; F63-V81 HydrophobicContact CD1-CG2 4.04Å; F63-V81 HydrophobicContact CE1-CG2 3.97Å; V81-K93 CarbonylContact O-C 3.6Å; V81-K93 WeakPolarHBondContact O-CA 3.49Å; V81-C94 PolarHBondContact N-O 2.95Å; V81-C94 PolarHBondContact O-N 3.32Å; V81-V100 HydrophobicContact CG2-CG1 4.36Å; V81-N103 HydrophobicContact CG2-CB 3.82Å; V81-R104 HydrophobicContact CG1-CG 4.23Å; V81-R104 HydrophobicContact CG2-CG 3.91Å; V81-A107 HydrophobicContact CG1-CB 4.27Å |
| 82 | V | 97.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 52.3 Ų | 52.3 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 114 | 168.7 | -174.5 | 0 | 0 | 0 | 0 | 106.8 | Q62 V64 V91 V92 K93 | Q62-V82 HydrophobicContact CB-CB 4.34Å; Q62-V82 PolarHBondContact N-O 2.91Å; Q62-V82 PolarHBondContact O-N 3.13Å; V64-V82 HydrophobicContact CB-CG2 4.35Å; V64-V82 HydrophobicContact CG1-CG2 3.86Å; V64-V82 HydrophobicContact CG2-CG2 3.53Å; V82-V91 HydrophobicContact CG1-CG1 3.72Å; V82-V92 WeakPolarHBondContact CA-O 3.47Å; V82-K93 HydrophobicContact CG1-CG 4.21Å; V82-K93 HydrophobicContact CG2-CD 4.39Å; V82-K93 HydrophobicContact CG2-CG 4.07Å |
| 83 | L | 96.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127 | 179 | -169.8 | 66.3 | 0 | 0 | 0 | 108.3 | L59 E61 V91 V92 A107 R108 M111 | L59-L83 HydrophobicContact CB-CD1 4.09Å; L59-L83 HydrophobicContact CD2-CD1 4.38Å; L59-L83 HydrophobicContact CD2-CD2 4.45Å; L59-L83 HydrophobicContact CD2-CG 4.29Å; E61-L83 HydrophobicContact CB-CD1 4.12Å; E61-L83 HydrophobicContact CG-CD1 4.34Å; L83-V91 WeakPolarHBondContact O-CA 3.32Å; L83-V92 PolarHBondContact N-O 3.19Å; L83-V92 PolarHBondContact O-N 2.78Å; L83-A107 HydrophobicContact CB-CB 4.36Å; L83-A107 HydrophobicContact CD2-CB 4.3Å; L83-R108 HydrophobicContact CD2-CG 3.95Å; L83-M111 HydrophobicContact CB-CE 4.1Å; L83-M111 HydrophobicContact CD2-CB 4.15Å; L83-M111 HydrophobicContact CD2-CE 4.08Å; L83-M111 HydrophobicContact CD2-SD 3.55Å; L83-M111 VanDerWaalsContact CD2-SD 3.55Å; L83-M111 HydrophobicContact CG-CE 3.84Å; L83-M111 HydrophobicContact CG-SD 3.73Å; L83-M111 VanDerWaalsContact O-CE 3.25Å; L83-M111 WeakPolarHBondContact O-CE 3.49Å |
| 84 | K | 96.9 | Very high | 94.3 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.6 | 177.1 | 172.4 | 175.9 | 161.6 | -129.4 | 0 | 109.3 | L59 E60 I90 V91 | L59-K84 WeakPolarHBondContact CA-O 3.47Å; E60-K84 HydrophobicContact CB-CB 4.26Å; E60-K84 PolarHBondContact N-O 3.38Å; E60-K84 PolarHBondContact O-N 3.31Å; E60-K84 IonicContact OE1-NZ 3.68Å; E60-K84 WeakPolarHBondContact OE2-CD 3.25Å; E60-K84 IonicContact OE2-NZ 2.81Å; E60-K84 PolarHBondContact OE2-NZ 2.81Å; K84-I90 WeakPolarHBondContact CA-O 3.38Å; K84-V91 HydrophobicContact CB-CG2 4.17Å; K84-V91 HydrophobicContact CD-CG2 4.23Å; K84-V91 HydrophobicContact CG-CG2 4.04Å |
| 85 | H | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 117.5 | 170.7 | -172.6 | -128.2 | 0 | 0 | 0 | 108.6 | E58 L59 P87 T88 G89 I90 M111 | E58-H85 IonicContact OE2-CD2 2.61Å; E58-H85 IonicContact OE2-CE1 3.42Å; E58-H85 IonicContact OE2-NE2 2.89Å; E58-H85 PolarHBondContact OE2-NE2 2.84Å; L59-H85 HydrophobicContact CD2-CB 4.13Å; H85-P87 WeakPolarHBondContact CE1-CG 3.24Å; H85-P87 WeakPolarHBondContact NE2-CG 3.36Å; H85-T88 PolarHBondContact CE1-OG1 3.08Å; H85-T88 VanDerWaalsContact CE1-OG1 3.23Å; H85-T88 WeakPolarHBondContact ND1-CB 3.16Å; H85-T88 PolarHBondContact ND1-OG1 3.26Å; H85-G89 VanDerWaalsContact O-CA 3.28Å; H85-G89 WeakPolarHBondContact O-CA 3.45Å; H85-G89 PolarHBondContact O-N 2.98Å; H85-I90 PolarHBondContact N-O 2.87Å; H85-M111 HydrophobicContact CB-CE 4.16Å; H85-M111 HydrophobicContact CB-SD 3.88Å |
| 86 | I | 95.1 | Very high | 94.9 | Very high | 82 Ų | 82 | 52 Ų | 52 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -51.7 | -172.2 | -58.1 | 166.5 | 0 | 0 | 0 | 112.2 | E58 E60 G89 | E58-I86 WeakPolarHBondContact O-CG1 3.45Å; E58-I86 PolarHBondContact O-N 2.84Å; E60-I86 HydrophobicContact CG-CD1 3.87Å; E60-I86 HydrophobicContact CG-CG1 3.78Å; I86-G89 PolarHBondContact O-N 3.12Å |
| 87 | P | 93.9 | Very high | 95.2 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -34.3 | -171.9 | 28.9 | -35.9 | 0 | 0 | 0 | 112.9 | H85 | H85-P87 WeakPolarHBondContact CE1-CG 3.24Å; H85-P87 WeakPolarHBondContact NE2-CG 3.36Å |
| 88 | T | 93.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 34% | 0.344 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.1 | 178.6 | -38 | 0 | 0 | 0 | 0 | 112.7 | H85 I90 L115 | H85-T88 PolarHBondContact CE1-OG1 3.08Å; H85-T88 VanDerWaalsContact CE1-OG1 3.23Å; H85-T88 WeakPolarHBondContact ND1-CB 3.16Å; H85-T88 PolarHBondContact ND1-OG1 3.26Å; T88-I90 HydrophobicContact CG2-CD1 3.5Å; T88-I90 HydrophobicContact CG2-CG1 3.7Å; T88-I90 PolarHBondContact O-N 3.31Å; T88-L115 HydrophobicContact CG2-CD2 4.25Å |
| 89 | G | 94.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 54.3 Ų | 54.3 | 46% | 0.464 | 28% | 0.281 | S | S | . | . | trans | 69.2 | 10.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | H85 I86 | H85-G89 VanDerWaalsContact O-CA 3.28Å; H85-G89 WeakPolarHBondContact O-CA 3.45Å; H85-G89 PolarHBondContact O-N 2.98Å; I86-G89 PolarHBondContact O-N 3.12Å | ||
| 90 | I | 95.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | trans | -76.6 | 129 | -178.3 | -63.9 | 174.8 | 0 | 0 | 0 | 109.9 | K84 H85 T88 V92 M111 K114 L115 A118 | K84-I90 WeakPolarHBondContact CA-O 3.38Å; H85-I90 PolarHBondContact N-O 2.87Å; T88-I90 HydrophobicContact CG2-CD1 3.5Å; T88-I90 HydrophobicContact CG2-CG1 3.7Å; T88-I90 PolarHBondContact O-N 3.31Å; I90-V92 HydrophobicContact CG2-CG2 4.44Å; I90-M111 WeakPolarHBondContact O-CE 2.92Å; I90-K114 HydrophobicContact CG2-CB 4.35Å; I90-K114 HydrophobicContact CG2-CD 3.79Å; I90-L115 HydrophobicContact CD1-CD2 4.06Å; I90-A118 HydrophobicContact CD1-CB 4.09Å | ||
| 91 | V | 97.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.1 | 175.7 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | V82 L83 K84 K114 | V82-V91 HydrophobicContact CG1-CG1 3.72Å; L83-V91 WeakPolarHBondContact O-CA 3.32Å; K84-V91 HydrophobicContact CB-CG2 4.17Å; K84-V91 HydrophobicContact CD-CG2 4.23Å; K84-V91 HydrophobicContact CG-CG2 4.04Å; V91-K114 PolarHBondContact O-NZ 2.55Å |
| 92 | V | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129 | 175.1 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | V82 L83 I90 I110 M111 K114 | V82-V92 WeakPolarHBondContact CA-O 3.47Å; L83-V92 PolarHBondContact N-O 3.19Å; L83-V92 PolarHBondContact O-N 2.78Å; I90-V92 HydrophobicContact CG2-CG2 4.44Å; V92-I110 HydrophobicContact CG1-CB 4.03Å; V92-I110 HydrophobicContact CG1-CG2 3.64Å; V92-I110 HydrophobicContact CG2-CG2 4.23Å; V92-M111 HydrophobicContact CB-CE 4.04Å; V92-M111 HydrophobicContact CG2-CB 4.18Å; V92-M111 HydrophobicContact CG2-CE 3.69Å; V92-K114 HydrophobicContact CG2-CD 3.72Å |
| 93 | K | 96.1 | Very high | 95.2 | Very high | 155 Ų | 155 | 62.4 Ų | 62.4 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.5 | 171.2 | -59.4 | -172 | 178.6 | 176.1 | 0 | 108.7 | V81 V82 | V81-K93 CarbonylContact O-C 3.6Å; V81-K93 WeakPolarHBondContact O-CA 3.49Å; V82-K93 HydrophobicContact CG1-CG 4.21Å; V82-K93 HydrophobicContact CG2-CD 4.39Å; V82-K93 HydrophobicContact CG2-CG 4.07Å |
| 94 | C | 95.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.02 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 118 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | V81 A107 | V81-C94 PolarHBondContact N-O 2.95Å; V81-C94 PolarHBondContact O-N 3.32Å; C94-A107 HydrophobicContact CB-CB 3.86Å |
| 95 | H | 94 | Very high | 95.2 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | trans | -138.2 | 74.9 | 173.1 | -171.2 | -125.2 | 0 | 0 | 0 | 109.3 | N79 C80 | N79-H95 PolarHBondContact OD1-CD2 3.38Å; N79-H95 PolarHBondContact OD1-NE2 3.05Å; C80-H95 HydrophobicContact CB-CB 4.02Å | ||
| 96 | Q | 92.9 | Very high | 95.1 | Very high | 107 Ų | 107 | 73.6 Ų | 73.6 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -108 | -32.2 | -174.9 | -69.2 | -179.6 | -7.1 | 0 | 0 | 112.7 | N103 | Q96-N103 PolarHBondContact N-OD1 3.35Š|
| 97 | T | 93.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -129.9 | 166 | -178.8 | 72.4 | 0 | 0 | 0 | 0 | 110.9 | S99 I102 N103 | T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 PolarHBondContact OG1-N 3.3Å; T97-S99 PolarHBondContact OG1-O 3.45Å; T97-I102 HydrophobicContact CG2-CG2 3.91Å; T97-N103 PolarHBondContact N-OD1 2.8Å; T97-N103 PolarHBondContact O-ND2 3.46Å; T97-N103 PolarHBondContact O-OD1 3.12Å; T97-N103 PolarHBondContact OG1-OD1 2.89Å |
| 98 | R | 90.9 | Very high | 95.3 | Very high | 231 Ų | 231 | 67.9 Ų | 67.9 | 87% | 0.872 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -69 | -21.5 | 174.4 | 66.8 | -176.9 | 178.8 | -155.8 | -0 | 113.6 | N79 | N79-R98 WeakPolarHBondContact ND2-CA 3.37Å; N79-R98 PolarHBondContact ND2-O 2.89Å |
| 99 | S | 94.4 | Very high | 95.3 | Very high | 40 Ų | 40 | 68.1 Ų | 68.1 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | trans | -90.1 | 130.7 | -175.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | T97 N103 | T97-S99 PolarHBondContact O-N 2.94Å; T97-S99 PolarHBondContact OG1-N 3.3Å; T97-S99 PolarHBondContact OG1-O 3.45Å; S99-N103 PolarHBondContact O-N 3.21Å; S99-N103 PolarHBondContact O-ND2 3.42Å | ||
| 100 | V | 95.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 68 Ų | 68 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | F63 N79 V81 I102 N103 R104 | F63-V100 HydrophobicContact CD1-CG1 3.65Å; F63-V100 HydrophobicContact CE1-CG1 3.21Å; F63-V100 HydrophobicContact CZ-CG1 4.02Å; N79-V100 HydrophobicContact CB-CG2 4.03Å; V81-V100 HydrophobicContact CG2-CG1 4.36Å; V100-I102 VanDerWaalsContact C-N 3.33Å; V100-I102 PolarHBondContact O-N 3.06Å; V100-N103 CarbonylContact O-C 3.55Å; V100-N103 WeakPolarHBondContact O-CB 3.36Å; V100-N103 PolarHBondContact O-N 3.44Å; V100-N103 VanDerWaalsContact O-N 3.09Å; V100-R104 HydrophobicContact CG1-CG 4.4Å; V100-R104 WeakPolarHBondContact O-CG 3.44Å; V100-R104 PolarHBondContact O-N 2.61Å |
| 101 | D | 96.5 | Very high | 95.2 | Very high | 88 Ų | 88 | 66.3 Ų | 66.3 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | -175.9 | -64.2 | -51 | 0 | 0 | 0 | 113.1 | N103 R104 K105 | D101-N103 VanDerWaalsContact C-N 3.35Å; D101-R104 PolarHBondContact O-N 2.99Å; D101-R104 IonicContact OD1-NH1 2.74Å; D101-R104 PolarHBondContact OD1-NH1 3.4Å; D101-R104 VanDerWaalsContact OD1-NH1 3.1Å; D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 3.1Å |
| 102 | I | 96.8 | Very high | 95 | Very high | 78 Ų | 78 | 66.3 Ų | 66.3 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.4 | -60.5 | 177.6 | 0 | 0 | 0 | 109.5 | T97 V100 R104 K105 R106 | T97-I102 HydrophobicContact CG2-CG2 3.91Å; V100-I102 VanDerWaalsContact C-N 3.33Å; V100-I102 PolarHBondContact O-N 3.06Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 3.44Å; I102-K105 PolarHBondContact O-N 3.45Å; I102-R106 WeakPolarHBondContact O-CG 3.46Å; I102-R106 PolarHBondContact O-N 3Å |
| 103 | N | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 177.5 | -67.7 | -13.8 | 0 | 0 | 0 | 112 | N79 V81 Q96 T97 S99 V100 D101 R106 A107 | N79-N103 PolarHBondContact O-ND2 3.18Å; V81-N103 HydrophobicContact CG2-CB 3.82Å; Q96-N103 PolarHBondContact N-OD1 3.35Å; T97-N103 PolarHBondContact N-OD1 2.8Å; T97-N103 PolarHBondContact O-ND2 3.46Å; T97-N103 PolarHBondContact O-OD1 3.12Å; T97-N103 PolarHBondContact OG1-OD1 2.89Å; S99-N103 PolarHBondContact O-N 3.21Å; S99-N103 PolarHBondContact O-ND2 3.42Å; V100-N103 CarbonylContact O-C 3.55Å; V100-N103 WeakPolarHBondContact O-CB 3.36Å; V100-N103 PolarHBondContact O-N 3.44Å; V100-N103 VanDerWaalsContact O-N 3.09Å; D101-N103 VanDerWaalsContact C-N 3.35Å; N103-R106 PolarHBondContact O-N 2.81Å; N103-A107 VanDerWaalsContact O-CB 3.29Å; N103-A107 WeakPolarHBondContact O-CB 3.33Å; N103-A107 PolarHBondContact O-N 3.48Å |
| 104 | R | 96.3 | Very high | 94.7 | Very high | 68 Ų | 68 | 67.3 Ų | 67.3 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.1 | -52.7 | 173.8 | -82 | 175.5 | 64.9 | -131.2 | 6.8 | 112.3 | E61 F63 V81 V100 D101 I102 R106 A107 R108 | E61-R104 WeakPolarHBondContact OE1-CD 3.36Å; E61-R104 WeakPolarHBondContact OE1-CG 3.41Å; E61-R104 IonicContact OE1-NE 3.63Å; E61-R104 PolarHBondContact OE1-NE 2.86Å; E61-R104 VanDerWaalsContact OE1-NE 3.12Å; E61-R104 IonicContact OE2-NE 3.1Å; E61-R104 PolarHBondContact OE2-NE 2.74Å; F63-R104 HydrophobicContact CE1-CG 4.18Å; V81-R104 HydrophobicContact CG1-CG 4.23Å; V81-R104 HydrophobicContact CG2-CG 3.91Å; V100-R104 HydrophobicContact CG1-CG 4.4Å; V100-R104 WeakPolarHBondContact O-CG 3.44Å; V100-R104 PolarHBondContact O-N 2.61Å; D101-R104 PolarHBondContact O-N 2.99Å; D101-R104 IonicContact OD1-NH1 2.74Å; D101-R104 PolarHBondContact OD1-NH1 3.4Å; D101-R104 VanDerWaalsContact OD1-NH1 3.1Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 3.44Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 3.07Å; R104-A107 PolarHBondContact O-N 3.18Å; R104-R108 VanDerWaalsContact CZ-NH2 3.35Å; R104-R108 PolarHBondContact O-N 2.87Å |
| 105 | K | 96.1 | Very high | 94.5 | Very high | 138 Ų | 138 | 67.4 Ų | 67.4 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.5 | -48.7 | 178.3 | -71.3 | 176.1 | -177.5 | -177.2 | 0 | 110.6 | D101 I102 A107 R108 D109 | D101-K105 WeakPolarHBondContact O-CG 3.42Å; D101-K105 PolarHBondContact O-N 3.1Å; I102-K105 PolarHBondContact O-N 3.45Å; K105-A107 PolarHBondContact O-N 2.84Å; K105-R108 PolarHBondContact O-N 3.24Å; K105-D109 PolarHBondContact O-N 3.33Å |
| 106 | R | 96.3 | Very high | 94.4 | Very high | 109 Ų | 109 | 64 Ų | 64 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 177.9 | -69.2 | -163.6 | -176.1 | 178.8 | -0.2 | 113.5 | I102 N103 R104 R108 D109 I110 | I102-R106 WeakPolarHBondContact O-CG 3.46Å; I102-R106 PolarHBondContact O-N 3Å; N103-R106 PolarHBondContact O-N 2.81Å; R104-R106 VanDerWaalsContact C-N 3.31Å; R104-R106 PolarHBondContact O-N 3.07Å; R106-R108 VanDerWaalsContact C-N 3.3Å; R106-R108 PolarHBondContact O-N 3.43Å; R106-D109 PolarHBondContact O-N 3.05Å; R106-I110 WeakPolarHBondContact O-CD1 3.29Å; R106-I110 VanDerWaalsContact O-CG1 3.24Å; R106-I110 WeakPolarHBondContact O-CG1 3.47Å; R106-I110 PolarHBondContact O-N 2.96Å |
| 107 | A | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V81 L83 C94 N103 R104 K105 M111 | V81-A107 HydrophobicContact CG1-CB 4.27Å; L83-A107 HydrophobicContact CB-CB 4.36Å; L83-A107 HydrophobicContact CD2-CB 4.3Å; C94-A107 HydrophobicContact CB-CB 3.86Å; N103-A107 VanDerWaalsContact O-CB 3.29Å; N103-A107 WeakPolarHBondContact O-CB 3.33Å; N103-A107 PolarHBondContact O-N 3.48Å; R104-A107 PolarHBondContact O-N 3.18Å; K105-A107 PolarHBondContact O-N 2.84Å; A107-M111 VanDerWaalsContact O-CB 3.32Å; A107-M111 WeakPolarHBondContact O-CB 2.99Å; A107-M111 PolarHBondContact O-N 3.31Å |
| 108 | R | 95.6 | Very high | 94.2 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 18% | 0.177 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 174.9 | -65.5 | -176.1 | -164.2 | 122.2 | 5.6 | 112.8 | L54 E61 L83 R104 K105 R106 M111 R112 | L54-R108 HydrophobicContact CD1-CB 4.25Å; E61-R108 IonicContact OE2-NH2 3.44Å; L83-R108 HydrophobicContact CD2-CG 3.95Å; R104-R108 VanDerWaalsContact CZ-NH2 3.35Å; R104-R108 PolarHBondContact O-N 2.87Å; K105-R108 PolarHBondContact O-N 3.24Å; R106-R108 VanDerWaalsContact C-N 3.3Å; R106-R108 PolarHBondContact O-N 3.43Å; R108-M111 PolarHBondContact O-N 2.84Å; R108-R112 PolarHBondContact O-N 3.36Å |
| 109 | D | 93.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 59 Ų | 59 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | 173.9 | -64.2 | -38.4 | 0 | 0 | 0 | 110.3 | K105 R106 M111 R112 E113 | K105-D109 PolarHBondContact O-N 3.33Å; R106-D109 PolarHBondContact O-N 3.05Å; D109-M111 VanDerWaalsContact C-N 3.29Å; D109-M111 PolarHBondContact O-N 2.92Å; D109-R112 WeakPolarHBondContact O-CB 3.44Å; D109-R112 PolarHBondContact O-N 2.85Å; D109-R112 IonicContact OD1-CZ 3.81Å; D109-R112 IonicContact OD1-NH1 3.9Å; D109-R112 IonicContact OD1-NH2 2.78Å; D109-R112 PolarHBondContact OD1-NH2 3.09Å; D109-E113 WeakPolarHBondContact O-CG 2.95Å; D109-E113 PolarHBondContact O-N 3.38Å |
| 110 | I | 94.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 22% | 0.221 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 178.1 | -65.5 | 163.9 | 0 | 0 | 0 | 111.1 | V92 R106 E113 K114 | V92-I110 HydrophobicContact CG1-CB 4.03Å; V92-I110 HydrophobicContact CG1-CG2 3.64Å; V92-I110 HydrophobicContact CG2-CG2 4.23Å; R106-I110 WeakPolarHBondContact O-CD1 3.29Å; R106-I110 VanDerWaalsContact O-CG1 3.24Å; R106-I110 WeakPolarHBondContact O-CG1 3.47Å; R106-I110 PolarHBondContact O-N 2.96Å; I110-E113 PolarHBondContact O-N 3.2Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.21Å |
| 111 | M | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.6 | -175.4 | 155.2 | -82 | 0 | 0 | 111.8 | L54 L59 L83 H85 I90 V92 A107 R108 D109 E113 K114 L115 | L54-M111 HydrophobicContact CD1-CB 4.34Å; L54-M111 HydrophobicContact CD1-CG 4.37Å; L54-M111 HydrophobicContact CD2-CG 4.41Å; L59-M111 HydrophobicContact CD2-SD 3.32Å; L59-M111 WeakPolarHBondContact CD2-SD 3.25Å; L83-M111 HydrophobicContact CB-CE 4.1Å; L83-M111 HydrophobicContact CD2-CB 4.15Å; L83-M111 HydrophobicContact CD2-CE 4.08Å; L83-M111 HydrophobicContact CD2-SD 3.55Å; L83-M111 VanDerWaalsContact CD2-SD 3.55Å; L83-M111 HydrophobicContact CG-CE 3.84Å; L83-M111 HydrophobicContact CG-SD 3.73Å; L83-M111 VanDerWaalsContact O-CE 3.25Å; L83-M111 WeakPolarHBondContact O-CE 3.49Å; H85-M111 HydrophobicContact CB-CE 4.16Å; H85-M111 HydrophobicContact CB-SD 3.88Å; I90-M111 WeakPolarHBondContact O-CE 2.92Å; V92-M111 HydrophobicContact CB-CE 4.04Å; V92-M111 HydrophobicContact CG2-CB 4.18Å; V92-M111 HydrophobicContact CG2-CE 3.69Å; A107-M111 VanDerWaalsContact O-CB 3.32Å; A107-M111 WeakPolarHBondContact O-CB 2.99Å; A107-M111 PolarHBondContact O-N 3.31Å; R108-M111 PolarHBondContact O-N 2.84Å; D109-M111 VanDerWaalsContact C-N 3.29Å; D109-M111 PolarHBondContact O-N 2.92Å; M111-E113 VanDerWaalsContact C-N 3.35Å; M111-E113 PolarHBondContact O-N 3.46Å; M111-K114 PolarHBondContact O-N 3.48Å; M111-L115 HydrophobicContact CG-CD1 4.22Å; M111-L115 HydrophobicContact CG-CG 4.5Å; M111-L115 WeakPolarHBondContact O-CG 3.3Å; M111-L115 PolarHBondContact O-N 2.7Å |
| 112 | R | 93.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 25% | 0.249 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 172.5 | -82 | -174 | -90.6 | 123.5 | -1.9 | 112.1 | L51 P52 L54 R108 D109 K114 L115 D116 | L51-R112 HydrophobicContact CB-CB 4.24Å; L51-R112 HydrophobicContact CD1-CB 4.08Å; P52-R112 WeakPolarHBondContact O-CD 3.1Å; L54-R112 HydrophobicContact CD1-CG 3.53Å; L54-R112 HydrophobicContact CG-CG 3.62Å; R108-R112 PolarHBondContact O-N 3.36Å; D109-R112 WeakPolarHBondContact O-CB 3.44Å; D109-R112 PolarHBondContact O-N 2.85Å; D109-R112 IonicContact OD1-CZ 3.81Å; D109-R112 IonicContact OD1-NH1 3.9Å; D109-R112 IonicContact OD1-NH2 2.78Å; D109-R112 PolarHBondContact OD1-NH2 3.09Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.83Å; R112-L115 PolarHBondContact O-N 3.2Å; R112-D116 WeakPolarHBondContact O-CB 3.31Å; R112-D116 PolarHBondContact O-N 2.96Å |
| 113 | E | 92.1 | Very high | 92.1 | Very high | 90 Ų | 90 | 66.7 Ų | 66.7 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 176.9 | -66.9 | 176.8 | -172.7 | 0 | 0 | 111.7 | D109 I110 M111 D116 V117 L126 | D109-E113 WeakPolarHBondContact O-CG 2.95Å; D109-E113 PolarHBondContact O-N 3.38Å; I110-E113 PolarHBondContact O-N 3.2Å; M111-E113 VanDerWaalsContact C-N 3.35Å; M111-E113 PolarHBondContact O-N 3.46Å; E113-D116 PolarHBondContact O-N 3.3Å; E113-V117 WeakPolarHBondContact O-CG2 3.44Å; E113-V117 PolarHBondContact O-N 3.13Å; E113-V117 VanDerWaalsContact O-N 3.12Å; E113-L126 HydrophobicContact CB-CD1 3.69Å; E113-L126 HydrophobicContact CG-CD1 3.68Å |
| 114 | K | 92.8 | Very high | 91.7 | Very high | 88 Ų | 88 | 66.7 Ų | 66.7 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.8 | -74.2 | -167.1 | -174.8 | -174 | 0 | 112.6 | I90 V91 V92 I110 M111 R112 V117 A118 | I90-K114 HydrophobicContact CG2-CB 4.35Å; I90-K114 HydrophobicContact CG2-CD 3.79Å; V91-K114 PolarHBondContact O-NZ 2.55Å; V92-K114 HydrophobicContact CG2-CD 3.72Å; I110-K114 WeakPolarHBondContact O-CG 3.38Å; I110-K114 PolarHBondContact O-N 3.21Å; M111-K114 PolarHBondContact O-N 3.48Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.83Å; K114-V117 PolarHBondContact O-N 3.06Å; K114-A118 WeakPolarHBondContact O-CB 3.27Å; K114-A118 PolarHBondContact O-N 3.21Å |
| 115 | L | 92.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.2 | -74.1 | 173.2 | 0 | 0 | 0 | 111.4 | P52 L54 T88 I90 M111 R112 V117 A118 Y119 | P52-L115 HydrophobicContact CG-CB 4.05Å; L54-L115 HydrophobicContact CD2-CD1 3.39Å; T88-L115 HydrophobicContact CG2-CD2 4.25Å; I90-L115 HydrophobicContact CD1-CD2 4.06Å; M111-L115 HydrophobicContact CG-CD1 4.22Å; M111-L115 HydrophobicContact CG-CG 4.5Å; M111-L115 WeakPolarHBondContact O-CG 3.3Å; M111-L115 PolarHBondContact O-N 2.7Å; R112-L115 PolarHBondContact O-N 3.2Å; L115-V117 VanDerWaalsContact C-N 3.29Å; L115-V117 PolarHBondContact O-N 2.96Å; L115-A118 PolarHBondContact O-N 3.44Å; L115-A118 VanDerWaalsContact O-N 3.07Å; L115-Y119 HydrophobicContact CB-CD2 4.23Å; L115-Y119 HydrophobicContact CB-CE2 4.03Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; L115-Y119 WeakPolarHBondContact O-CD2 3.37Å; L115-Y119 PolarHBondContact O-N 3.09Å |
| 116 | D | 91.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.5 | -43.7 | 175.9 | -171.4 | 65.8 | 0 | 0 | 0 | 111.5 | L51 R112 E113 Y119 K120 S124 | L51-D116 HydrophobicContact CD2-CB 3.87Å; R112-D116 WeakPolarHBondContact O-CB 3.31Å; R112-D116 PolarHBondContact O-N 2.96Å; E113-D116 PolarHBondContact O-N 3.3Å; D116-Y119 PolarHBondContact O-N 2.85Å; D116-K120 WeakPolarHBondContact O-CB 3.38Å; D116-K120 PolarHBondContact O-N 3.48Å; D116-K120 VanDerWaalsContact OD1-CD 3.24Å; D116-K120 WeakPolarHBondContact OD1-CD 3.2Å; D116-K120 WeakPolarHBondContact OD1-CE 3.48Å; D116-K120 IonicContact OD1-NZ 3.63Å; D116-K120 PolarHBondContact OD1-NZ 3.44Å; D116-S124 WeakPolarHBondContact OD2-CB 3.19Å; D116-S124 PolarHBondContact OD2-OG 3.2Å |
| 117 | V | 91.2 | Very high | 90.2 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | E113 K114 L115 G121 V127 | E113-V117 WeakPolarHBondContact O-CG2 3.44Å; E113-V117 PolarHBondContact O-N 3.13Å; E113-V117 VanDerWaalsContact O-N 3.12Å; K114-V117 PolarHBondContact O-N 3.06Å; L115-V117 VanDerWaalsContact C-N 3.29Å; L115-V117 PolarHBondContact O-N 2.96Å; V117-G121 WeakPolarHBondContact O-CA 3.47Å; V117-G121 PolarHBondContact O-N 3.22Å; V117-V127 HydrophobicContact CG1-CG2 4.3Å; V117-V127 HydrophobicContact CG2-CG2 3.8Å |
| 118 | A | 90.4 | Very high | 89.9 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I90 K114 L115 | I90-A118 HydrophobicContact CD1-CB 4.09Å; K114-A118 WeakPolarHBondContact O-CB 3.27Å; K114-A118 PolarHBondContact O-N 3.21Å; L115-A118 PolarHBondContact O-N 3.44Å; L115-A118 VanDerWaalsContact O-N 3.07Å |
| 119 | Y | 89.9 | Confident | 89.6 | Confident | 152 Ų | 152 | 64 Ų | 64 | 60% | 0.596 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -82 | -46.4 | -179.2 | -67.9 | -56.2 | 0 | 0 | 0 | 113.3 | L115 D116 | L115-Y119 HydrophobicContact CB-CD2 4.23Å; L115-Y119 HydrophobicContact CB-CE2 4.03Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; L115-Y119 WeakPolarHBondContact O-CD2 3.37Å; L115-Y119 PolarHBondContact O-N 3.09Å; D116-Y119 PolarHBondContact O-N 2.85Å |
| 120 | K | 89 | Confident | 89.4 | Confident | 92 Ų | 92 | 68.2 Ų | 68.2 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -94.7 | -16.4 | -175.1 | -59.8 | 179.8 | -173.2 | 154.2 | 0 | 113.2 | D50 D116 E122 L123 | D50-K120 PolarHBondContact O-NZ 3.16Å; D50-K120 VanDerWaalsContact O-NZ 3.13Å; D116-K120 WeakPolarHBondContact O-CB 3.38Å; D116-K120 PolarHBondContact O-N 3.48Å; D116-K120 VanDerWaalsContact OD1-CD 3.24Å; D116-K120 WeakPolarHBondContact OD1-CD 3.2Å; D116-K120 WeakPolarHBondContact OD1-CE 3.48Å; D116-K120 IonicContact OD1-NZ 3.63Å; D116-K120 PolarHBondContact OD1-NZ 3.44Å; K120-E122 PolarHBondContact O-N 2.98Å; K120-L123 PolarHBondContact O-N 2.76Å |
| 121 | G | 88.2 | Confident | 89.3 | Confident | 31 Ų | 31 | 70.8 Ų | 70.8 | 32% | 0.32 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | 61 | -127.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V117 L123 S124 | V117-G121 WeakPolarHBondContact O-CA 3.47Å; V117-G121 PolarHBondContact O-N 3.22Å; G121-L123 PolarHBondContact O-N 3.09Å; G121-S124 WeakPolarHBondContact O-CB 3.23Å; G121-S124 PolarHBondContact O-N 3.29Å |
| 122 | E | 81.6 | Confident | 89.2 | Confident | 140 Ų | 140 | 76.4 Ų | 76.4 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -70.9 | -18.7 | -179.5 | -63.5 | -156.5 | -153.4 | 0 | 0 | 114.5 | K120 K131 | K120-E122 PolarHBondContact O-N 2.98Å; E122-K131 IonicContact OE2-NZ 2.65Å; E122-K131 PolarHBondContact OE2-NZ 3.48Å |
| 123 | L | 81.3 | Confident | 89.2 | Confident | 150 Ų | 150 | 76.5 Ų | 76.5 | 79% | 0.785 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -80.6 | -8.5 | 177.7 | -57.4 | 178.2 | 0 | 0 | 0 | 112.3 | K120 G121 E125 | K120-L123 PolarHBondContact O-N 2.76Å; G121-L123 PolarHBondContact O-N 3.09Å; L123-E125 PolarHBondContact O-N 2.81Å |
| 124 | S | 86.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -56.5 | 127.5 | 173.8 | 168.3 | 0 | 0 | 0 | 0 | 109.9 | D116 G121 L126 V127 V128 | D116-S124 WeakPolarHBondContact OD2-CB 3.19Å; D116-S124 PolarHBondContact OD2-OG 3.2Å; G121-S124 WeakPolarHBondContact O-CB 3.23Å; G121-S124 PolarHBondContact O-N 3.29Å; S124-L126 PolarHBondContact O-N 2.75Å; S124-L126 VanDerWaalsContact O-N 3.12Å; S124-L126 PolarHBondContact OG-N 2.87Å; S124-V127 WeakPolarHBondContact O-CB 3.4Å; S124-V127 PolarHBondContact O-N 3.45Å; S124-V128 PolarHBondContact O-N 3.41Å; S124-V128 VanDerWaalsContact O-N 3.08Å | ||
| 125 | E | 85.6 | Confident | 89.5 | Confident | 86 Ų | 86 | 76.4 Ų | 76.4 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55 | -32.8 | 176.6 | -66 | -174.1 | -167.5 | 0 | 0 | 112.2 | L123 V127 V128 K129 | L123-E125 PolarHBondContact O-N 2.81Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V128 PolarHBondContact O-N 3.12Å; E125-K129 HydrophobicContact CB-CD 4.5Å; E125-K129 VanDerWaalsContact O-CB 3.23Å; E125-K129 WeakPolarHBondContact O-CB 3.24Å; E125-K129 WeakPolarHBondContact O-CD 3.49Å; E125-K129 WeakPolarHBondContact O-CG 3.47Å; E125-K129 PolarHBondContact O-N 3.32Å; E125-K129 IonicContact OE2-NZ 3.51Å; E125-K129 PolarHBondContact OE2-NZ 2.86Å |
| 126 | L | 85.3 | Confident | 89.7 | Confident | 41 Ų | 41 | 84 Ų | 84 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 178.2 | -62.2 | 177.3 | 0 | 0 | 0 | 111.2 | P49 L51 E113 S124 K130 | P49-L126 HydrophobicContact CB-CD2 4.36Å; P49-L126 HydrophobicContact CG-CD2 3.78Å; L51-L126 HydrophobicContact CD2-CD1 4.04Å; E113-L126 HydrophobicContact CB-CD1 3.69Å; E113-L126 HydrophobicContact CG-CD1 3.68Å; S124-L126 PolarHBondContact O-N 2.75Å; S124-L126 VanDerWaalsContact O-N 3.12Å; S124-L126 PolarHBondContact OG-N 2.87Å; L126-K130 WeakPolarHBondContact O-CB 3.35Å; L126-K130 PolarHBondContact O-N 3.27Å |
| 127 | V | 87.6 | Confident | 89.9 | Confident | 33 Ų | 33 | 89.7 Ų | 89.7 | 20% | 0.2 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.8 | -44.9 | 179.1 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | V117 S124 E125 K130 K131 | V117-V127 HydrophobicContact CG1-CG2 4.3Å; V117-V127 HydrophobicContact CG2-CG2 3.8Å; S124-V127 WeakPolarHBondContact O-CB 3.4Å; S124-V127 PolarHBondContact O-N 3.45Å; E125-V127 VanDerWaalsContact C-N 3.33Å; V127-K130 PolarHBondContact O-N 3.1Å; V127-K131 HydrophobicContact CG1-CD 4.05Å; V127-K131 HydrophobicContact CG1-CG 4.38Å; V127-K131 WeakPolarHBondContact O-CB 3.35Å; V127-K131 VanDerWaalsContact O-CG 3.31Å; V127-K131 WeakPolarHBondContact O-CG 3.47Å; V127-K131 PolarHBondContact O-N 3.12Å |
| 128 | V | 89.4 | Confident | 90.2 | Very high | 59 Ų | 59 | 91.1 Ų | 91.1 | 36% | 0.358 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -53.5 | 177.4 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | S124 E125 K130 K131 E132 | S124-V128 PolarHBondContact O-N 3.41Å; S124-V128 VanDerWaalsContact O-N 3.08Å; E125-V128 PolarHBondContact O-N 3.12Å; V128-K130 VanDerWaalsContact C-N 3.25Å; V128-K130 PolarHBondContact O-N 2.85Å; V128-K131 WeakPolarHBondContact O-CB 3.38Å; V128-K131 PolarHBondContact O-N 3.42Å; V128-K131 VanDerWaalsContact O-N 3.09Å; V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CG 3.3Å; V128-E132 PolarHBondContact O-N 3.13Å |
| 129 | K | 89.9 | Confident | 90.5 | Very high | 85 Ų | 85 | 92.8 Ų | 92.8 | 37% | 0.37 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56.5 | -39.7 | 177.3 | -74.1 | 166.6 | 176.5 | 162.1 | 0 | 111.6 | E125 S133 | E125-K129 HydrophobicContact CB-CD 4.5Å; E125-K129 VanDerWaalsContact O-CB 3.23Å; E125-K129 WeakPolarHBondContact O-CB 3.24Å; E125-K129 WeakPolarHBondContact O-CD 3.49Å; E125-K129 WeakPolarHBondContact O-CG 3.47Å; E125-K129 PolarHBondContact O-N 3.32Å; E125-K129 IonicContact OE2-NZ 3.51Å; E125-K129 PolarHBondContact OE2-NZ 2.86Å; K129-S133 WeakPolarHBondContact O-CB 3.36Å; K129-S133 PolarHBondContact O-N 2.87Å |
| 130 | K | 90.1 | Very high | 90.9 | Very high | 151 Ų | 151 | 90.9 Ų | 90.9 | 66% | 0.657 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.6 | -47.9 | 176 | -170.9 | 175.2 | -177.7 | 178.7 | 0 | 111.6 | L126 V127 V128 E132 S133 V134 | L126-K130 WeakPolarHBondContact O-CB 3.35Å; L126-K130 PolarHBondContact O-N 3.27Å; V127-K130 PolarHBondContact O-N 3.1Å; V128-K130 VanDerWaalsContact C-N 3.25Å; V128-K130 PolarHBondContact O-N 2.85Å; K130-E132 PolarHBondContact O-N 3.1Å; K130-S133 PolarHBondContact O-N 2.82Å; K130-S133 PolarHBondContact O-OG 2.89Å; K130-V134 WeakPolarHBondContact O-CG2 3.47Å; K130-V134 PolarHBondContact O-N 2.8Å; K130-V134 VanDerWaalsContact O-N 3.08Å |
| 131 | K | 91.4 | Very high | 91.3 | Very high | 97 Ų | 97 | 94.2 Ų | 94.2 | 42% | 0.422 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.4 | -49.1 | 176 | -75.3 | 174.4 | 176.4 | 178.2 | 0 | 110.5 | E122 V127 V128 S133 V134 L135 | E122-K131 IonicContact OE2-NZ 2.65Å; E122-K131 PolarHBondContact OE2-NZ 3.48Å; V127-K131 HydrophobicContact CG1-CD 4.05Å; V127-K131 HydrophobicContact CG1-CG 4.38Å; V127-K131 WeakPolarHBondContact O-CB 3.35Å; V127-K131 VanDerWaalsContact O-CG 3.31Å; V127-K131 WeakPolarHBondContact O-CG 3.47Å; V127-K131 PolarHBondContact O-N 3.12Å; V128-K131 WeakPolarHBondContact O-CB 3.38Å; V128-K131 PolarHBondContact O-N 3.42Å; V128-K131 VanDerWaalsContact O-N 3.09Å; K131-S133 PolarHBondContact O-N 3.32Å; K131-V134 PolarHBondContact O-N 3.08Å; K131-L135 WeakPolarHBondContact O-CG 3.36Å; K131-L135 PolarHBondContact O-N 2.87Å |
| 132 | E | 93.6 | Very high | 91.7 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 177 | -71.8 | 177.4 | 174.9 | 0 | 0 | 112.8 | V128 K130 V134 L135 R136 | V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CG 3.3Å; V128-E132 PolarHBondContact O-N 3.13Å; K130-E132 PolarHBondContact O-N 3.1Å; E132-V134 VanDerWaalsContact C-N 3.26Å; E132-V134 PolarHBondContact O-N 2.94Å; E132-L135 PolarHBondContact O-N 3.13Å; E132-R136 WeakPolarHBondContact O-CB 3.49Å; E132-R136 PolarHBondContact O-N 3.14Å |
| 133 | S | 93.3 | Very high | 92.5 | Very high | 69 Ų | 69 | 98.9 Ų | 98.9 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 178.9 | 77 | 0 | 0 | 0 | 0 | 112.5 | K129 K130 K131 K137 | K129-S133 WeakPolarHBondContact O-CB 3.36Å; K129-S133 PolarHBondContact O-N 2.87Å; K130-S133 PolarHBondContact O-N 2.82Å; K130-S133 PolarHBondContact O-OG 2.89Å; K131-S133 PolarHBondContact O-N 3.32Å; S133-K137 WeakPolarHBondContact O-CB 3.37Å; S133-K137 PolarHBondContact O-N 2.81Å; S133-K137 VanDerWaalsContact O-N 3.1Å |
| 134 | V | 94.8 | Very high | 93.3 | Very high | 67 Ų | 67 | 96.5 Ų | 96.5 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69 | -48.2 | 176.5 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | K130 K131 E132 R136 K137 Q138 | K130-V134 WeakPolarHBondContact O-CG2 3.47Å; K130-V134 PolarHBondContact O-N 2.8Å; K130-V134 VanDerWaalsContact O-N 3.08Å; K131-V134 PolarHBondContact O-N 3.08Å; E132-V134 VanDerWaalsContact C-N 3.26Å; E132-V134 PolarHBondContact O-N 2.94Å; V134-R136 VanDerWaalsContact C-N 3.33Å; V134-R136 PolarHBondContact O-N 3.19Å; V134-K137 WeakPolarHBondContact O-CB 3.37Å; V134-K137 PolarHBondContact O-N 3.36Å; V134-K137 VanDerWaalsContact O-N 3.12Å; V134-Q138 HydrophobicContact CG1-CG 4.41Å; V134-Q138 WeakPolarHBondContact O-CG 3.42Å; V134-Q138 PolarHBondContact O-N 2.89Å |
| 135 | L | 96 | Very high | 93.8 | Very high | 108 Ų | 108 | 101.1 Ų | 101.1 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.2 | -45.8 | 177.2 | -69.3 | 174.2 | 0 | 0 | 0 | 111.2 | K131 E132 K137 Q138 E139 | K131-L135 WeakPolarHBondContact O-CG 3.36Å; K131-L135 PolarHBondContact O-N 2.87Å; E132-L135 PolarHBondContact O-N 3.13Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-K137 PolarHBondContact O-N 3.45Å; L135-Q138 WeakPolarHBondContact O-CB 3.43Å; L135-Q138 PolarHBondContact O-N 3.08Å; L135-Q138 VanDerWaalsContact O-N 3.13Å; L135-E139 WeakPolarHBondContact O-CB 3.49Å; L135-E139 PolarHBondContact O-N 2.65Å |
| 136 | R | 96.7 | Very high | 94.4 | Very high | 163 Ų | 163 | 101.6 Ų | 101.6 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.5 | -39.1 | 176.2 | -172 | 178.5 | -176.3 | -165.6 | 2.2 | 112.3 | E132 V134 K140 | E132-R136 WeakPolarHBondContact O-CB 3.49Å; E132-R136 PolarHBondContact O-N 3.14Å; V134-R136 VanDerWaalsContact C-N 3.33Å; V134-R136 PolarHBondContact O-N 3.19Å; R136-K140 VanDerWaalsContact O-CG 3.31Å; R136-K140 WeakPolarHBondContact O-CG 3.31Å; R136-K140 PolarHBondContact O-N 2.98Å; R136-K140 VanDerWaalsContact O-N 3.14Å |
| 137 | K | 96.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.4 | -40.1 | 176.4 | -173.6 | 176.9 | -178.6 | 178.1 | 0 | 111.6 | S133 V134 L135 R141 | S133-K137 WeakPolarHBondContact O-CB 3.37Å; S133-K137 PolarHBondContact O-N 2.81Å; S133-K137 VanDerWaalsContact O-N 3.1Å; V134-K137 WeakPolarHBondContact O-CB 3.37Å; V134-K137 PolarHBondContact O-N 3.36Å; V134-K137 VanDerWaalsContact O-N 3.12Å; L135-K137 VanDerWaalsContact C-N 3.29Å; L135-K137 PolarHBondContact O-N 3.45Å; K137-R141 WeakPolarHBondContact O-CG 3.45Å; K137-R141 PolarHBondContact O-N 2.96Å; K137-R141 VanDerWaalsContact O-N 3.08Å |
| 138 | Q | 97.2 | Very high | 95.4 | Very high | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 176.3 | -71.6 | 176.7 | 1.3 | 0 | 0 | 111.2 | V134 L135 K140 R141 K142 | V134-Q138 HydrophobicContact CG1-CG 4.41Å; V134-Q138 WeakPolarHBondContact O-CG 3.42Å; V134-Q138 PolarHBondContact O-N 2.89Å; L135-Q138 WeakPolarHBondContact O-CB 3.43Å; L135-Q138 PolarHBondContact O-N 3.08Å; L135-Q138 VanDerWaalsContact O-N 3.13Å; Q138-K140 PolarHBondContact O-N 3.31Å; Q138-R141 WeakPolarHBondContact O-CB 3.38Å; Q138-R141 PolarHBondContact O-N 3.37Å; Q138-R141 VanDerWaalsContact O-N 3.13Å; Q138-K142 WeakPolarHBondContact O-CG 3.47Å; Q138-K142 PolarHBondContact O-N 3.05Å |
| 139 | E | 97.8 | Very high | 95.8 | Very high | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 178.5 | -169.5 | -175.1 | -171.1 | 0 | 0 | 111.8 | L135 R141 K142 R143 | L135-E139 WeakPolarHBondContact O-CB 3.49Å; L135-E139 PolarHBondContact O-N 2.65Å; E139-R141 VanDerWaalsContact C-N 3.29Å; E139-R141 PolarHBondContact O-N 3.49Å; E139-K142 PolarHBondContact O-N 3.08Å; E139-R143 WeakPolarHBondContact O-CG 3.34Å; E139-R143 PolarHBondContact O-N 2.9Å; E139-R143 IonicContact OE1-CZ 3.32Å; E139-R143 IonicContact OE1-NE 3.12Å; E139-R143 IonicContact OE1-NH2 3.66Å; E139-R143 PolarHBondContact OE1-NH2 3.05Å; E139-R143 IonicContact OE2-NH2 2.78Å |
| 140 | K | 97 | Very high | 96.2 | Very high | 111 Ų | 111 | 110.4 Ų | 110.4 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 173.5 | -74.5 | 176.5 | -179.8 | -174.4 | 0 | 112.1 | R136 Q138 R143 V144 | R136-K140 VanDerWaalsContact O-CG 3.31Å; R136-K140 WeakPolarHBondContact O-CG 3.31Å; R136-K140 PolarHBondContact O-N 2.98Å; R136-K140 VanDerWaalsContact O-N 3.14Å; Q138-K140 PolarHBondContact O-N 3.31Å; K140-R143 PolarHBondContact O-N 3.4Å; K140-V144 VanDerWaalsContact O-CG2 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.49Å; K140-V144 PolarHBondContact O-N 3.44Å |
| 141 | R | 97 | Very high | 96.5 | Very high | 162 Ų | 162 | 110.8 Ų | 110.8 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 176.7 | -74.8 | 173.1 | 170.7 | -171.2 | -6.4 | 111.7 | K137 Q138 E139 V144 N145 | K137-R141 WeakPolarHBondContact O-CG 3.45Å; K137-R141 PolarHBondContact O-N 2.96Å; K137-R141 VanDerWaalsContact O-N 3.08Å; Q138-R141 WeakPolarHBondContact O-CB 3.38Å; Q138-R141 PolarHBondContact O-N 3.37Å; Q138-R141 VanDerWaalsContact O-N 3.13Å; E139-R141 VanDerWaalsContact C-N 3.29Å; E139-R141 PolarHBondContact O-N 3.49Å; R141-V144 PolarHBondContact O-N 3.03Å; R141-N145 WeakPolarHBondContact O-CB 3.39Å; R141-N145 PolarHBondContact O-N 2.95Å |
| 142 | K | 97.9 | Very high | 96.8 | Very high | 134 Ų | 134 | 114.1 Ų | 114.1 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.1 | -51 | 176 | -71.1 | -179.3 | 178.8 | -173.2 | 0 | 111.2 | Q138 E139 V144 N145 E146 | Q138-K142 WeakPolarHBondContact O-CG 3.47Å; Q138-K142 PolarHBondContact O-N 3.05Å; E139-K142 PolarHBondContact O-N 3.08Å; K142-V144 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 3.46Å; K142-N145 WeakPolarHBondContact O-CB 3.29Å; K142-N145 PolarHBondContact O-N 3.11Å; K142-N145 VanDerWaalsContact O-N 3.08Å; K142-E146 WeakPolarHBondContact O-CG 3.35Å; K142-E146 PolarHBondContact O-N 2.93Å |
| 143 | R | 97.4 | Very high | 96.9 | Very high | 136 Ų | 136 | 113.3 Ų | 113.3 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.6 | -42 | 177.6 | -67.7 | 177.9 | -170.3 | -175.1 | 2 | 112.9 | E139 K140 N147 | E139-R143 WeakPolarHBondContact O-CG 3.34Å; E139-R143 PolarHBondContact O-N 2.9Å; E139-R143 IonicContact OE1-CZ 3.32Å; E139-R143 IonicContact OE1-NE 3.12Å; E139-R143 IonicContact OE1-NH2 3.66Å; E139-R143 PolarHBondContact OE1-NH2 3.05Å; E139-R143 IonicContact OE2-NH2 2.78Å; K140-R143 PolarHBondContact O-N 3.4Å; R143-N147 WeakPolarHBondContact O-CB 3.42Å; R143-N147 VanDerWaalsContact O-CG 3.28Å; R143-N147 PolarHBondContact O-N 2.97Å; R143-N147 PolarHBondContact O-ND2 3.45Å |
| 144 | V | 97.6 | Very high | 97 | Very high | 100 Ų | 100 | 116.5 Ų | 116.5 | 61% | 0.606 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 176.8 | 170.3 | 0 | 0 | 0 | 0 | 111 | K140 R141 K142 N147 L148 | K140-V144 VanDerWaalsContact O-CG2 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.49Å; K140-V144 PolarHBondContact O-N 3.44Å; R141-V144 PolarHBondContact O-N 3.03Å; K142-V144 VanDerWaalsContact C-N 3.32Å; K142-V144 PolarHBondContact O-N 3.46Å; V144-N147 PolarHBondContact O-N 2.91Å; V144-L148 WeakPolarHBondContact O-CB 3.39Å; V144-L148 PolarHBondContact O-N 3.29Å |
| 145 | N | 97.6 | Very high | 97 | Very high | 96 Ų | 96 | 120.9 Ų | 120.9 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 178.5 | -170.7 | 66.6 | 0 | 0 | 0 | 112 | R141 K142 N147 L148 E149 | R141-N145 WeakPolarHBondContact O-CB 3.39Å; R141-N145 PolarHBondContact O-N 2.95Å; K142-N145 WeakPolarHBondContact O-CB 3.29Å; K142-N145 PolarHBondContact O-N 3.11Å; K142-N145 VanDerWaalsContact O-N 3.08Å; N145-N147 VanDerWaalsContact C-N 3.33Å; N145-N147 PolarHBondContact O-N 2.94Å; N145-L148 WeakPolarHBondContact O-CB 3.43Å; N145-L148 PolarHBondContact O-N 3.01Å; N145-L148 VanDerWaalsContact O-N 3.11Å; N145-E149 PolarHBondContact O-N 3.03Å |
| 146 | E | 97.9 | Very high | 96.9 | Very high | 96 Ų | 96 | 121.6 Ų | 121.6 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 176.8 | -70.6 | 165.1 | -162.3 | 0 | 0 | 111.9 | K142 L148 E149 K150 | K142-E146 WeakPolarHBondContact O-CG 3.35Å; K142-E146 PolarHBondContact O-N 2.93Å; E146-L148 VanDerWaalsContact C-N 3.3Å; E146-L148 PolarHBondContact O-N 2.97Å; E146-E149 PolarHBondContact O-N 3.3Å; E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 2.94Å |
| 147 | N | 97.8 | Very high | 96.7 | Very high | 91 Ų | 91 | 116.4 Ų | 116.4 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -35.4 | 176.4 | -78.4 | -14.7 | 0 | 0 | 0 | 112.5 | R143 V144 N145 K151 | R143-N147 WeakPolarHBondContact O-CB 3.42Å; R143-N147 VanDerWaalsContact O-CG 3.28Å; R143-N147 PolarHBondContact O-N 2.97Å; R143-N147 PolarHBondContact O-ND2 3.45Å; V144-N147 PolarHBondContact O-N 2.91Å; N145-N147 VanDerWaalsContact C-N 3.33Å; N145-N147 PolarHBondContact O-N 2.94Å; N147-K151 WeakPolarHBondContact O-CG 3.4Å; N147-K151 PolarHBondContact O-N 3.49Å |
| 148 | L | 97.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 114.3 Ų | 114.3 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 176.7 | -173.5 | 153.1 | 0 | 0 | 0 | 110.9 | V144 N145 E146 K151 R152 | V144-L148 WeakPolarHBondContact O-CB 3.39Å; V144-L148 PolarHBondContact O-N 3.29Å; N145-L148 WeakPolarHBondContact O-CB 3.43Å; N145-L148 PolarHBondContact O-N 3.01Å; N145-L148 VanDerWaalsContact O-N 3.11Å; E146-L148 VanDerWaalsContact C-N 3.3Å; E146-L148 PolarHBondContact O-N 2.97Å; L148-K151 PolarHBondContact O-N 3.35Å; L148-R152 HydrophobicContact CD2-CG 4.18Å; L148-R152 VanDerWaalsContact CD2-NE 3.26Å; L148-R152 WeakPolarHBondContact O-CG 3.35Å; L148-R152 PolarHBondContact O-N 3.19Å |
| 149 | E | 97.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 112.8 Ų | 112.8 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 176.1 | -171.5 | 169.5 | -170.1 | 0 | 0 | 111.8 | N145 E146 K151 R152 L153 | N145-E149 PolarHBondContact O-N 3.03Å; E146-E149 PolarHBondContact O-N 3.3Å; E149-K151 VanDerWaalsContact C-N 3.28Å; E149-K151 PolarHBondContact O-N 3.17Å; E149-R152 WeakPolarHBondContact O-CB 3.45Å; E149-R152 PolarHBondContact O-N 2.93Å; E149-L153 HydrophobicContact CG-CD1 4.37Å; E149-L153 WeakPolarHBondContact O-CG 3.31Å; E149-L153 PolarHBondContact O-N 3.35Å |
| 150 | K | 97.4 | Very high | 95.5 | Very high | 134 Ų | 134 | 112.9 Ų | 112.9 | 58% | 0.583 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.3 | -41.3 | 173.5 | -71.6 | 172.9 | -176.7 | 175 | 0 | 112.6 | E146 L153 F154 | E146-K150 WeakPolarHBondContact O-CG 3.42Å; E146-K150 PolarHBondContact O-N 2.94Å; K150-L153 PolarHBondContact O-N 3.42Å; K150-F154 VanDerWaalsContact O-CB 3.31Å; K150-F154 WeakPolarHBondContact O-CB 3.39Å; K150-F154 PolarHBondContact O-N 2.87Å |
| 151 | K | 96.8 | Very high | 94.6 | Very high | 159 Ų | 159 | 113.8 Ų | 113.8 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.8 | -35.9 | 175.9 | -75.1 | 178.7 | 178.7 | -173.4 | 0 | 112.7 | N147 L148 E149 K155 | N147-K151 WeakPolarHBondContact O-CG 3.4Å; N147-K151 PolarHBondContact O-N 3.49Å; L148-K151 PolarHBondContact O-N 3.35Å; E149-K151 VanDerWaalsContact C-N 3.28Å; E149-K151 PolarHBondContact O-N 3.17Å; K151-K155 WeakPolarHBondContact O-CB 3.33Å; K151-K155 PolarHBondContact O-N 3.5Å |
| 152 | R | 97.1 | Very high | 93.5 | Very high | 166 Ų | 166 | 112 Ų | 112 | 63% | 0.626 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.6 | -50.9 | 174.4 | -74.9 | 178.3 | 173.7 | 161.1 | -0.1 | 110.6 | L148 E149 F154 K155 E156 | L148-R152 HydrophobicContact CD2-CG 4.18Å; L148-R152 VanDerWaalsContact CD2-NE 3.26Å; L148-R152 WeakPolarHBondContact O-CG 3.35Å; L148-R152 PolarHBondContact O-N 3.19Å; E149-R152 WeakPolarHBondContact O-CB 3.45Å; E149-R152 PolarHBondContact O-N 2.93Å; R152-F154 VanDerWaalsContact C-N 3.34Å; R152-F154 PolarHBondContact O-N 3.16Å; R152-K155 PolarHBondContact O-N 3.07Å; R152-K155 VanDerWaalsContact O-N 3.16Å; R152-E156 WeakPolarHBondContact O-CB 3.34Å; R152-E156 PolarHBondContact O-N 3.18Å |
| 153 | L | 96.3 | Very high | 92 | Very high | 100 Ų | 100 | 113.9 Ų | 113.9 | 52% | 0.524 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.4 | -43.9 | 178.4 | -66.1 | 173.3 | 0 | 0 | 0 | 111.7 | E149 K150 K155 E156 S157 | E149-L153 HydrophobicContact CG-CD1 4.37Å; E149-L153 WeakPolarHBondContact O-CG 3.31Å; E149-L153 PolarHBondContact O-N 3.35Å; K150-L153 PolarHBondContact O-N 3.42Å; L153-K155 PolarHBondContact O-N 2.91Å; L153-E156 PolarHBondContact O-N 3.27Å; L153-S157 PolarHBondContact O-N 3.48Å; L153-S157 PolarHBondContact O-OG 3.09Å |
| 154 | F | 95.1 | Very high | 90.4 | Very high | 136 Ų | 136 | 113.2 Ų | 113.2 | 60% | 0.596 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -39.6 | 176.3 | -179 | -103.7 | 0 | 0 | 0 | 112.9 | K150 R152 E156 S157 L158 | K150-F154 VanDerWaalsContact O-CB 3.31Å; K150-F154 WeakPolarHBondContact O-CB 3.39Å; K150-F154 PolarHBondContact O-N 2.87Å; R152-F154 VanDerWaalsContact C-N 3.34Å; R152-F154 PolarHBondContact O-N 3.16Å; F154-E156 VanDerWaalsContact C-N 3.35Å; F154-S157 PolarHBondContact O-OG 3.24Å; F154-L158 HydrophobicContact CD1-CD1 3.93Å; F154-L158 HydrophobicContact CE1-CD1 3.45Å; F154-L158 VanDerWaalsContact CE1-CD1 3.45Å; F154-L158 HydrophobicContact CE1-CG 4.31Å; F154-L158 HydrophobicContact CZ-CD1 3.83Å; F154-L158 HydrophobicContact CZ-CG 4.31Å; F154-L158 WeakPolarHBondContact O-CG 3.43Å; F154-L158 PolarHBondContact O-N 3.02Å |
| 155 | K | 94.9 | Very high | 88.8 | Confident | 160 Ų | 160 | 111.2 Ų | 111.2 | 70% | 0.696 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | 175.5 | -176.6 | -179.9 | 177.4 | -176.3 | 0 | 111.5 | K151 R152 L153 A159 | K151-K155 WeakPolarHBondContact O-CB 3.33Å; K151-K155 PolarHBondContact O-N 3.5Å; R152-K155 PolarHBondContact O-N 3.07Å; R152-K155 VanDerWaalsContact O-N 3.16Å; L153-K155 PolarHBondContact O-N 2.91Å; K155-A159 PolarHBondContact O-N 3.24Å; K155-A159 VanDerWaalsContact O-N 3.09Å |
| 156 | E | 94.1 | Very high | 86.9 | Confident | 123 Ų | 123 | 113.7 Ų | 113.7 | 58% | 0.575 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.9 | -44.9 | 177.9 | -174.7 | 171.8 | -172.9 | 0 | 0 | 111.5 | R152 L153 F154 L158 A159 V160 | R152-E156 WeakPolarHBondContact O-CB 3.34Å; R152-E156 PolarHBondContact O-N 3.18Å; L153-E156 PolarHBondContact O-N 3.27Å; F154-E156 VanDerWaalsContact C-N 3.35Å; E156-L158 VanDerWaalsContact C-N 3.35Å; E156-L158 PolarHBondContact O-N 3.03Å; E156-A159 WeakPolarHBondContact O-CB 3.5Å; E156-A159 PolarHBondContact O-N 3.43Å; E156-V160 WeakPolarHBondContact O-CG2 3.46Å; E156-V160 PolarHBondContact O-N 2.73Å |
| 157 | S | 93.1 | Very high | 85.1 | Confident | 54 Ų | 54 | 116.4 Ų | 116.4 | 38% | 0.378 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.2 | -44.3 | 175.9 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | L153 F154 A159 V160 D161 | L153-S157 PolarHBondContact O-N 3.48Å; L153-S157 PolarHBondContact O-OG 3.09Å; F154-S157 PolarHBondContact O-OG 3.24Å; S157-A159 PolarHBondContact O-N 3.2Å; S157-V160 PolarHBondContact O-N 3.49Å; S157-D161 PolarHBondContact O-N 3.29Å |
| 158 | L | 91.1 | Very high | 83.1 | Confident | 78 Ų | 78 | 121.3 Ų | 121.3 | 41% | 0.408 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.1 | -34 | 173.8 | -72.1 | 173.5 | 0 | 0 | 0 | 112.6 | F154 E156 N162 | F154-L158 HydrophobicContact CD1-CD1 3.93Å; F154-L158 HydrophobicContact CE1-CD1 3.45Å; F154-L158 VanDerWaalsContact CE1-CD1 3.45Å; F154-L158 HydrophobicContact CE1-CG 4.31Å; F154-L158 HydrophobicContact CZ-CD1 3.83Å; F154-L158 HydrophobicContact CZ-CG 4.31Å; F154-L158 WeakPolarHBondContact O-CG 3.43Å; F154-L158 PolarHBondContact O-N 3.02Å; E156-L158 VanDerWaalsContact C-N 3.35Å; E156-L158 PolarHBondContact O-N 3.03Å; L158-N162 PolarHBondContact O-N 3.49Å; L158-N162 PolarHBondContact O-ND2 3.2Å |
| 159 | A | 88.7 | Confident | 82.4 | Confident | 60 Ų | 60 | 123.6 Ų | 123.6 | 50% | 0.496 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.2 | -29.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K155 E156 S157 | K155-A159 PolarHBondContact O-N 3.24Å; K155-A159 VanDerWaalsContact O-N 3.09Å; E156-A159 WeakPolarHBondContact O-CB 3.5Å; E156-A159 PolarHBondContact O-N 3.43Å; S157-A159 PolarHBondContact O-N 3.2Å |
| 160 | V | 85.1 | Confident | 81.6 | Confident | 95 Ų | 95 | 124.6 Ų | 124.6 | 58% | 0.576 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.7 | -46.3 | 175 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | E156 S157 N162 K163 | E156-V160 WeakPolarHBondContact O-CG2 3.46Å; E156-V160 PolarHBondContact O-N 2.73Å; S157-V160 PolarHBondContact O-N 3.49Å; V160-N162 PolarHBondContact O-N 3.16Å; V160-K163 PolarHBondContact O-N 2.99Å |
| 161 | D | 78 | Confident | 80.7 | Confident | 130 Ų | 130 | 124.1 Ų | 124.1 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -64.2 | -23.5 | -179 | -62.4 | -27.9 | 0 | 0 | 0 | 113 | S157 | S157-D161 PolarHBondContact O-N 3.29Å |
| 162 | N | 74.3 | Confident | 79.8 | Confident | 126 Ų | 126 | 122.1 Ų | 122.1 | 67% | 0.674 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 9.5 | -178.8 | -75.1 | -65 | 0 | 0 | 0 | 114.3 | L158 V160 P164 | L158-N162 PolarHBondContact O-N 3.49Å; L158-N162 PolarHBondContact O-ND2 3.2Å; V160-N162 PolarHBondContact O-N 3.16Å; N162-P164 WeakPolarHBondContact O-CD 3.2Å |
| 163 | K | 67.1 | Low | 78.7 | Confident | 172 Ų | 172 | 119.3 Ų | 119.3 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | trans | -77.9 | 111.4 | 169.9 | -83.6 | -174.5 | 177.5 | 178.4 | 0 | 109.4 | V160 G165 | V160-K163 PolarHBondContact O-N 2.99Å; K163-G165 PolarHBondContact O-N 3.3Å | ||
| 164 | P | 64.4 | Low | 77.5 | Confident | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | -62.4 | 138.2 | 172.9 | 27.2 | -31.9 | 0 | 0 | 0 | 108.8 | N162 D166 | N162-P164 WeakPolarHBondContact O-CD 3.2Å; P164-D166 PolarHBondContact O-N 3.48Å; P164-D166 VanDerWaalsContact O-N 3.16Å | ||
| 165 | G | 62.4 | Low | 76.3 | Confident | 58 Ų | 58 | 119.5 Ų | 119.5 | 60% | 0.598 | 67% | 0.674 | S | S | * | * | trans | -53.2 | 120 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K163 D167 | K163-G165 PolarHBondContact O-N 3.3Å; G165-D167 PolarHBondContact O-N 3.07Å | ||
| 166 | D | 57.8 | Low | 74.8 | Confident | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -73.3 | 81.1 | 162.1 | -175.6 | 11.8 | 0 | 0 | 0 | 106 | P164 T168 | P164-D166 PolarHBondContact O-N 3.48Å; P164-D166 VanDerWaalsContact O-N 3.16Å; D166-T168 PolarHBondContact O-N 3Å | ||
| 167 | D | 60.6 | Low | 73.2 | Confident | 154 Ų | 154 | 115.8 Ų | 115.8 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | trans | -75.2 | 98.7 | 172.6 | -64.2 | -30 | 0 | 0 | 0 | 107 | G165 | G165-D167 PolarHBondContact O-N 3.07Š| ||
| 168 | T | 56.1 | Low | 71.4 | Confident | 193 Ų | 193 | 121.5 Ų | 121.5 | 100% | 1.184 | 71% | 0.708 | S | S | * | * | trans | -76.5 | 0 | 166 | -35.2 | 0 | 0 | 0 | 0 | 110.8 | D166 | D166-T168 PolarHBondContact O-N 3Š|
Retrieved 168 of 168 residues in 97.9 ms
(Link to these results)