| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.9 | Low | 44.2 | Very low | 248 Ų | 248 | 152.9 Ų | 152.9 | 100% | 1.222 | 84% | 0.84 | S | S | * | * | 0 | 144.7 | 0 | -79.1 | 166.1 | 177.3 | 0 | 0 | 107.6 | |||||
| 2 | A | 36.2 | Very low | 44.9 | Very low | 92 Ų | 92 | 149.7 Ų | 149.7 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | trans | 82.3 | 105.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | D | 42 | Very low | 44.3 | Very low | 157 Ų | 157 | 154 Ų | 154 | 84% | 0.84 | 84% | 0.842 | S | S | * | * | 86 | 99.9 | 57.2 | -90.3 | -65.6 | 0 | 0 | 0 | 113.6 | |||||
| 4 | L | 38.2 | Very low | 44 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -162 | 133.7 | 151.6 | -69.8 | -179.8 | 0 | 0 | 0 | 106.7 | ||||
| 5 | L | 54.1 | Low | 44 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 78% | 0.78 | 84% | 0.844 | S | S | * | * | cis | -165.7 | 157 | -5.6 | -94.1 | 167.1 | 0 | 0 | 0 | 105.9 | ||||
| 6 | P | 51 | Low | 43.6 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 81% | 0.805 | 85% | 0.849 | S | S | * | * | trans | -86.8 | 162.3 | 178.6 | 33.9 | -32.3 | 0 | 0 | 0 | 114.6 | ||||
| 7 | L | 42.6 | Very low | 43.3 | Very low | 164 Ų | 164 | 150.2 Ų | 150.2 | 86% | 0.859 | 85% | 0.851 | S | S | * | * | trans | -75.5 | 162.5 | -176.4 | -71.8 | 159.7 | 0 | 0 | 0 | 115.2 | ||||
| 8 | L | 44.6 | Very low | 42.9 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | 96.4 | 157.6 | 151.8 | -72.4 | 165.6 | 0 | 0 | 0 | 118.6 | ||||
| 9 | P | 45 | Very low | 42.4 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | -123.9 | 166.1 | -98.4 | 30.8 | -8.1 | 0 | 0 | 0 | 113.1 | |||||
| 10 | W | 32.8 | Very low | 42.2 | Very low | 230 Ų | 230 | 145.9 Ų | 145.9 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | trans | -121.7 | 128.4 | 174 | 174.3 | -83 | 0 | 0 | 0 | 111.9 | ||||
| 11 | A | 47.4 | Very low | 41.8 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | trans | -104.1 | 154.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 12 | P | 52.4 | Low | 41.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -109.8 | 134 | 161.4 | 12 | 8.5 | 0 | 0 | 0 | 112.7 | ||||
| 13 | Q | 37.1 | Very low | 41.1 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | trans | -88.7 | 143.5 | 162.1 | -75.8 | 172.3 | 7 | 0 | 0 | 109.9 | ||||
| 14 | G | 40.5 | Very low | 40.5 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -142.3 | 133.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 15 | A | 44 | Very low | 40.3 | Very low | 107 Ų | 107 | 135 Ų | 135 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -79.4 | 161.8 | -157.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 16 | Q | 37.1 | Very low | 40.1 | Very low | 197 Ų | 197 | 133.2 Ų | 133.2 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -76.3 | 143.1 | 167.2 | -74.5 | 174.1 | -44 | 0 | 0 | 112.1 | ||||
| 17 | D | 39.7 | Very low | 39.2 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | trans | -145.9 | 144.3 | 144.9 | -168.7 | -109 | 0 | 0 | 0 | 107.2 | ||||
| 18 | G | 35.4 | Very low | 38.6 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | -140.2 | 142.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 19 | N | 34.1 | Very low | 38 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -168.3 | 163 | 141 | -158.6 | 24.2 | 0 | 0 | 0 | 111.9 | ||||
| 20 | Q | 38.8 | Very low | 37.5 | Very low | 151 Ų | 151 | 134.4 Ų | 134.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -78 | 160.2 | -155.3 | -71.3 | 157.6 | 71.4 | 0 | 0 | 119.2 | ||||
| 21 | D | 32.6 | Very low | 37.7 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 55.1 | 113.2 | 143.7 | -59.3 | -34.9 | 0 | 0 | 0 | 122.3 | ||||
| 22 | S | 37.3 | Very low | 36.9 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | 177.8 | 154.2 | 112.1 | -82.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 23 | A | 36 | Very low | 36.3 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -66 | 158.5 | -169 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 24 | G | 30.7 | Very low | 36.3 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | 141.2 | 101.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 25 | S | 34 | Very low | 35.9 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 177.2 | 149.7 | -71.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 26 | P | 48.6 | Very low | 35.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -130.7 | -177.3 | -15.9 | 21.6 | 2.7 | 0 | 0 | 0 | 112.2 | ||||
| 27 | T | 31.9 | Very low | 35.8 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | 144.8 | 129.7 | 121.6 | -47.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 28 | E | 31.3 | Very low | 35.8 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 75.6 | 130.1 | 149 | -90.8 | -175 | 94.8 | 0 | 0 | 124.9 | ||||
| 29 | Q | 31.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | 71.4 | 117.5 | 146.2 | -64.7 | -178.8 | 52.7 | 0 | 0 | 118.2 | ||||
| 30 | Q | 34.3 | Very low | 37.1 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | -173.6 | 141.9 | 86.6 | -131.6 | 161.8 | -49.7 | 0 | 0 | 112.7 | |||||
| 31 | T | 35.9 | Very low | 37.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -44.2 | 128.8 | 171.7 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | T33 | T31-T33 HydrophobicContact CG2-CG2 4.27Š| ||
| 32 | Q | 31.3 | Very low | 38 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -131.7 | 104.7 | 154 | -163 | 161.5 | -1.9 | 0 | 0 | 109.9 | D34 | Q32-D34 PolarHBondContact O-N 3.22Š| ||
| 33 | T | 39.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -62.2 | 106.1 | 162 | 50.3 | 0 | 0 | 0 | 0 | 107.9 | T31 | T31-T33 HydrophobicContact CG2-CG2 4.27Š| ||
| 34 | D | 37.4 | Very low | 38.7 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -116.4 | 131.3 | 164.4 | -150.9 | -87.1 | 0 | 0 | 0 | 111.1 | Q32 V36 | Q32-D34 PolarHBondContact O-N 3.22Å; D34-V36 PolarHBondContact O-N 3.23Å | ||
| 35 | K | 32.9 | Very low | 39.6 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 73% | 0.726 | 75% | 0.748 | S | S | * | * | trans | -71 | 106 | -164.9 | -158.7 | -170.1 | -174.6 | -157.2 | 0 | 106.8 | Q37 | K35-Q37 PolarHBondContact O-N 2.74Š| ||
| 36 | V | 39.7 | Very low | 40.5 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -63.2 | 94.2 | 166.8 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | D34 D38 | D34-V36 PolarHBondContact O-N 3.23Å; V36-D38 PolarHBondContact O-N 2.9Å | ||
| 37 | Q | 37.6 | Very low | 40.7 | Very low | 146 Ų | 146 | 149.2 Ų | 149.2 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -62 | 108.6 | 169.3 | -66.1 | -174.1 | 22.6 | 0 | 0 | 105.4 | K35 L39 | K35-Q37 PolarHBondContact O-N 2.74Å; Q37-L39 PolarHBondContact O-N 2.99Å | ||
| 38 | D | 40.3 | Very low | 41.7 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | -43.1 | 88 | 159.2 | -179.6 | 55.8 | 0 | 0 | 0 | 108.6 | V36 S40 | V36-D38 PolarHBondContact O-N 2.9Å; D38-S40 PolarHBondContact O-N 2.75Å | ||
| 39 | L | 47.9 | Very low | 42.7 | Very low | 153 Ų | 153 | 146 Ų | 146 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 75.4 | 159.4 | -70.4 | 176.7 | 0 | 0 | 0 | 105.1 | Q37 P41 | Q37-L39 PolarHBondContact O-N 2.99Å; L39-P41 VanDerWaalsContact O-N 3.09Å | ||
| 40 | S | 49.7 | Very low | 43.3 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 50% | 0.497 | 76% | 0.758 | S | S | . | * | trans | -35.5 | 119.6 | 157.8 | 175.2 | 0 | 0 | 0 | 0 | 106.8 | D38 K42 | D38-S40 PolarHBondContact O-N 2.75Å; S40-K42 VanDerWaalsContact C-N 3.29Å; S40-K42 PolarHBondContact O-N 2.74Å | ||
| 41 | P | 50.7 | Low | 44.4 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -57.9 | 107.2 | 173.9 | 20.5 | -27.6 | 0 | 0 | 0 | 104.7 | L39 S43 | L39-P41 VanDerWaalsContact O-N 3.09Å; P41-S43 PolarHBondContact O-N 3.5Å | ||
| 42 | K | 39.2 | Very low | 45.7 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | -40.8 | 110.1 | -179.1 | -69.7 | 172.6 | -177.8 | 174.1 | 0 | 104.8 | S40 W44 | S40-K42 VanDerWaalsContact C-N 3.29Å; S40-K42 PolarHBondContact O-N 2.74Å; K42-W44 PolarHBondContact O-N 2.79Å | ||
| 43 | S | 45.2 | Very low | 46.8 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | trans | -39.2 | 114.1 | 177 | 174.3 | 0 | 0 | 0 | 0 | 104.8 | P41 R45 | P41-S43 PolarHBondContact O-N 3.5Å; S43-R45 PolarHBondContact O-N 3.4Å | ||
| 44 | W | 42.5 | Very low | 48 | Very low | 242 Ų | 242 | 136.2 Ų | 136.2 | 92% | 0.917 | 72% | 0.716 | S | S | * | * | trans | -63.2 | 75.9 | 162.3 | -63.1 | 92.3 | 0 | 0 | 0 | 102.9 | K42 L46 | K42-W44 PolarHBondContact O-N 2.79Å; W44-L46 VanDerWaalsContact C-N 3.33Å; W44-L46 PolarHBondContact O-N 3.46Å | ||
| 45 | R | 50.4 | Low | 49.3 | Very low | 203 Ų | 203 | 135.7 Ų | 135.7 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | trans | -52.7 | 115 | 174 | -77.1 | -140.3 | -168.5 | -106.9 | 6.2 | 101.2 | S43 L47 | S43-R45 PolarHBondContact O-N 3.4Å; R45-L47 PolarHBondContact O-N 2.85Å | ||
| 46 | L | 52 | Low | 50.3 | Low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | trans | -40.1 | 91.4 | 176.5 | -65.4 | 163.1 | 0 | 0 | 0 | 106.2 | W44 G48 | W44-L46 VanDerWaalsContact C-N 3.33Å; W44-L46 PolarHBondContact O-N 3.46Å; L46-G48 PolarHBondContact O-N 2.62Å | ||
| 47 | L | 53.4 | Low | 50.7 | Low | 163 Ų | 163 | 130 Ų | 130 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -63.2 | 104 | 166.6 | -70.3 | 176.6 | 0 | 0 | 0 | 99.8 | R45 V49 | R45-L47 PolarHBondContact O-N 2.85Å; L47-V49 PolarHBondContact O-N 2.62Å; L47-V49 VanDerWaalsContact O-N 3.07Å | ||
| 48 | G | 53.5 | Low | 51.2 | Low | 64 Ų | 64 | 127.7 Ų | 127.7 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | trans | -41.9 | 124.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | L46 P50 | L46-G48 PolarHBondContact O-N 2.62Å; G48-P50 WeakPolarHBondContact O-CD 3.48Å | ||
| 49 | V | 51.5 | Low | 52 | Low | 128 Ų | 128 | 127.3 Ų | 127.3 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -42.5 | 115.3 | -170.9 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | L47 T51 | L47-V49 PolarHBondContact O-N 2.62Å; L47-V49 VanDerWaalsContact O-N 3.07Å; V49-T51 PolarHBondContact O-N 2.86Å | ||
| 50 | P | 45.3 | Very low | 51.8 | Low | 103 Ų | 103 | 123.1 Ų | 123.1 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | trans | -56.4 | 117.5 | -172.9 | 18.3 | -29.8 | 0 | 0 | 0 | 107 | G48 I52 | G48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-I52 PolarHBondContact O-N 3.07Å | ||
| 51 | T | 55.7 | Low | 51.2 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | trans | -71.8 | 103.2 | 179.9 | -65.3 | 0 | 0 | 0 | 0 | 106.3 | V49 H53 | V49-T51 PolarHBondContact O-N 2.86Å; T51-H53 PolarHBondContact O-CD2 3.39Å; T51-H53 PolarHBondContact O-N 2.85Å; T51-H53 VanDerWaalsContact O-N 3.09Å | ||
| 52 | I | 64.1 | Low | 50.8 | Low | 115 Ų | 115 | 129.3 Ų | 129.3 | 59% | 0.59 | 72% | 0.718 | S | S | * | * | trans | -73.5 | 103 | 178.3 | -57.5 | 174.2 | 0 | 0 | 0 | 106.8 | P50 I54 | P50-I52 PolarHBondContact O-N 3.07Å; I52-I54 HydrophobicContact CG2-CG1 4.13Å; I52-I54 PolarHBondContact O-N 2.92Å; I52-I54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | H | 54.8 | Low | 51.8 | Low | 162 Ų | 162 | 126.4 Ų | 126.4 | 75% | 0.75 | 72% | 0.718 | S | S | * | * | trans | -71.5 | 105.1 | 169.7 | -72.9 | -88.9 | 0 | 0 | 0 | 108.4 | T51 T55 | T51-H53 PolarHBondContact O-CD2 3.39Å; T51-H53 PolarHBondContact O-N 2.85Å; T51-H53 VanDerWaalsContact O-N 3.09Å; H53-T55 PolarHBondContact O-N 2.98Å | ||
| 54 | I | 63.8 | Low | 52.2 | Low | 66 Ų | 66 | 128.3 Ų | 128.3 | 34% | 0.338 | 73% | 0.729 | S | S | . | * | trans | -85.6 | 101.1 | 174.8 | -53.5 | -173.1 | 0 | 0 | 0 | 107 | I52 P56 L197 R199 | I52-I54 HydrophobicContact CG2-CG1 4.13Å; I52-I54 PolarHBondContact O-N 2.92Å; I52-I54 VanDerWaalsContact O-N 3.15Å; I54-P56 VanDerWaalsContact O-CD 3.28Å; I54-P56 WeakPolarHBondContact O-CD 3.49Å; I54-L197 HydrophobicContact CD1-CD2 3.34Å; I54-R199 VanDerWaalsContact CG1-NH2 3.34Å | ||
| 55 | T | 64.6 | Low | 51.6 | Low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | -73.5 | 114.5 | 169.1 | -50.8 | 0 | 0 | 0 | 0 | 107.9 | H53 S57 | H53-T55 PolarHBondContact O-N 2.98Å; T55-S57 PolarHBondContact O-N 3.15Å | ||
| 56 | P | 55 | Low | 51.2 | Low | 103 Ų | 103 | 116.5 Ų | 116.5 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | trans | -62.3 | 129.8 | 172.3 | 25.7 | -31.1 | 0 | 0 | 0 | 108.4 | I54 S58 | I54-P56 VanDerWaalsContact O-CD 3.28Å; I54-P56 WeakPolarHBondContact O-CD 3.49Å; P56-S58 PolarHBondContact O-N 3.09Å | ||
| 57 | S | 48.1 | Very low | 50.5 | Low | 86 Ų | 86 | 114.5 Ų | 114.5 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | trans | -70.2 | 82.6 | 171 | 167.2 | 0 | 0 | 0 | 0 | 108.2 | T55 D59 K182 | T55-S57 PolarHBondContact O-N 3.15Å; S57-D59 PolarHBondContact O-N 3.38Å; S57-K182 WeakPolarHBondContact OG-CD 3.28Å; S57-K182 PolarHBondContact OG-NZ 2.97Å; S57-K182 VanDerWaalsContact OG-NZ 3.07Å | ||
| 58 | S | 47.7 | Very low | 49.7 | Very low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | trans | -71.5 | 117.1 | 173.3 | -165.8 | 0 | 0 | 0 | 0 | 108.4 | P56 K182 | P56-S58 PolarHBondContact O-N 3.09Å; S58-K182 VanDerWaalsContact C-NZ 3.3Å; S58-K182 PolarHBondContact O-NZ 3.49Å | ||
| 59 | D | 56.3 | Low | 49.2 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -76 | 112.3 | 155.8 | -75.6 | -75.5 | 0 | 0 | 0 | 106.6 | S57 K182 | S57-D59 PolarHBondContact O-N 3.38Å; D59-K182 WeakPolarHBondContact OD1-CE 2.92Å; D59-K182 IonicContact OD1-NZ 2.92Å; D59-K182 PolarHBondContact OD1-NZ 3.26Å; D59-K182 VanDerWaalsContact OD2-CE 3.29Å; D59-K182 WeakPolarHBondContact OD2-CE 3.29Å; D59-K182 IonicContact OD2-NZ 2.81Å; D59-K182 PolarHBondContact OD2-NZ 3.24Å | ||
| 60 | G | 45.5 | Very low | 48.6 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | trans | -178.7 | 111.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 61 | E | 37.1 | Very low | 48 | Very low | 201 Ų | 201 | 120.4 Ų | 120.4 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | trans | -59.7 | 157.6 | 179.9 | -160.8 | 154.4 | 63.2 | 0 | 0 | 113.2 | ||||
| 62 | S | 41.6 | Very low | 46.9 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -88.3 | -162 | -166.7 | -57.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 63 | P | 61 | Low | 45.4 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | -116.9 | -156 | -97.9 | 42.5 | -22.7 | 0 | 0 | 0 | 111.8 | |||||
| 64 | P | 52.3 | Low | 44.4 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -131.4 | 162.8 | -2.5 | 40.9 | -22.6 | 0 | 0 | 0 | 116.3 | ||||
| 65 | G | 31.1 | Very low | 43 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 166.4 | 98.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 66 | T | 40.1 | Very low | 41.4 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 52.1 | 136 | 149 | 45.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 67 | P | 38.3 | Very low | 40.4 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -82.7 | 121.6 | 177.3 | 33.1 | -30.8 | 0 | 0 | 0 | 111.6 | ||||
| 68 | T | 35.8 | Very low | 39.6 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -118 | 109.5 | 163.6 | -61 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 69 | T | 44.2 | Very low | 38.6 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -62.1 | 139.9 | 164.6 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 70 | P | 38.6 | Very low | 37.6 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -120.4 | 102.4 | 147.1 | 30.8 | -16.4 | 0 | 0 | 0 | 107.9 | ||||
| 71 | R | 31.8 | Very low | 37.4 | Very low | 213 Ų | 213 | 142.7 Ų | 142.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 45.1 | 91.4 | 82.7 | -157.7 | 175.5 | -176.8 | 154.8 | 0.7 | 112.3 | Q73 | R71-Q73 PolarHBondContact O-N 3.32Š| |||
| 72 | F | 33.6 | Very low | 37.3 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | trans | -46.2 | 129.9 | 163.4 | -66.4 | -88.8 | 0 | 0 | 0 | 110.7 | ||||
| 73 | Q | 31.3 | Very low | 36.6 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -122 | 109.3 | 161.3 | -72.1 | -171 | 51.5 | 0 | 0 | 108.4 | R71 L75 | R71-Q73 PolarHBondContact O-N 3.32Å; Q73-L75 PolarHBondContact O-N 2.9Å | ||
| 74 | T | 33.9 | Very low | 35.1 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -53.4 | 123 | 158.1 | -59.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 75 | L | 34.3 | Very low | 34.2 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -117.5 | 104.3 | 154.3 | -76.2 | 177.5 | 0 | 0 | 0 | 107.6 | Q73 | Q73-L75 PolarHBondContact O-N 2.9Š| ||
| 76 | D | 32.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -56.1 | 128.7 | 157.3 | -120.7 | -70.6 | 0 | 0 | 0 | 109 | ||||
| 77 | L | 34.2 | Very low | 34.9 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -149.4 | 100 | 154.4 | -152.4 | 69.5 | 0 | 0 | 0 | 109.3 | ||||
| 78 | E | 29.3 | Very low | 35.3 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -49.4 | 134.6 | 159.8 | -74.1 | 178.7 | 75.9 | 0 | 0 | 111.3 | ||||
| 79 | C | 28.3 | Very low | 35.6 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -161.7 | 109.2 | 140.5 | -156.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | L | 34 | Very low | 35.2 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -108.8 | 147 | 155.5 | -93.6 | 172.5 | 0 | 0 | 0 | 108 | ||||
| 81 | P | 42.1 | Very low | 35.6 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | -135.7 | 167.7 | 116.5 | 32.8 | -18.4 | 0 | 0 | 0 | 113.7 | |||||
| 82 | Q | 34.4 | Very low | 36 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -91 | 165 | -162.8 | -60.2 | -164.1 | -43.6 | 0 | 0 | 116 | ||||
| 83 | D | 27.4 | Very low | 36.9 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 85.2 | 115.5 | 139.7 | -124.7 | -71.3 | 0 | 0 | 0 | 121.3 | ||||
| 84 | S | 29.8 | Very low | 37.5 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | 151.5 | 121.3 | 122.6 | -66.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 85 | T | 33.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 66.6 | 99.3 | 134.3 | -45.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 86 | T | 35.9 | Very low | 37.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 33.3 | -179.8 | 134.1 | 72.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 87 | P | 50.5 | Low | 38.1 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | -118.4 | 157.6 | -96.1 | 35.5 | -16.5 | 0 | 0 | 0 | 114.2 | |||||
| 88 | H | 45.7 | Very low | 38.8 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -159.7 | 124 | 158.6 | 29.9 | -74.6 | 0 | 0 | 0 | 113.9 | ||||
| 89 | S | 41.7 | Very low | 39.2 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -8.6 | 134.8 | 160.5 | -55.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 90 | G | 35.6 | Very low | 39.9 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -168.8 | 58.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S92 | G90-S92 PolarHBondContact O-N 3.21Š| ||
| 91 | R | 47.3 | Very low | 40.7 | Very low | 238 Ų | 238 | 132.4 Ų | 132.4 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 115.8 | 177.9 | 179.3 | -178.8 | -173.7 | -109.4 | 4.7 | 110.7 | ||||
| 92 | S | 40 | Very low | 40.5 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -152.4 | 100.3 | 159 | -72.6 | 0 | 0 | 0 | 0 | 111.1 | G90 | G90-S92 PolarHBondContact O-N 3.21Š| ||
| 93 | S | 52.7 | Low | 40.9 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -91.6 | 133.9 | 163.1 | -50.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 94 | P | 45.4 | Very low | 41.6 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -100.1 | 99.3 | 155.1 | 30.8 | -24.8 | 0 | 0 | 0 | 109.7 | ||||
| 95 | S | 39.2 | Very low | 42.5 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -79.8 | 107.2 | 155.7 | 167 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 96 | S | 32.7 | Very low | 42.6 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -110.7 | 98.8 | 169.2 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 97 | S | 39.8 | Very low | 43 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 71% | 0.713 | 82% | 0.818 | S | S | * | * | trans | -110.1 | 130 | 159.2 | -73.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 98 | P | 49.1 | Very low | 43 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -84.9 | 127.5 | 176.6 | 32.7 | -28.9 | 0 | 0 | 0 | 109.4 | ||||
| 99 | S | 37.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -125.8 | 112.7 | 165.9 | -88.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 100 | L | 43.4 | Very low | 43 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 72% | 0.723 | 81% | 0.812 | S | S | * | * | trans | -12 | 134.5 | 158.6 | -65.7 | 171.1 | 0 | 0 | 0 | 118.9 | ||||
| 101 | R | 50.9 | Low | 43.5 | Very low | 206 Ų | 206 | 154 Ų | 154 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | 85.4 | 135.3 | 126.7 | -78.2 | 175.9 | -165.7 | 171.7 | 4.7 | 120.2 | |||||
| 102 | K | 38.3 | Very low | 43.7 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | 85.5 | 119.8 | 150.8 | -71.4 | 172.9 | -179.2 | -174.5 | 0 | 116.7 | ||||
| 103 | R | 41.5 | Very low | 44.1 | Very low | 228 Ų | 228 | 147.6 Ų | 147.6 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | 176.1 | 103.6 | 93.2 | -164.8 | 168.7 | -170.5 | 166.3 | 0.2 | 108 | |||||
| 104 | L | 43.6 | Very low | 43.7 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | 35.5 | 133.3 | 110.2 | -74.3 | 174.4 | 0 | 0 | 0 | 116.4 | |||||
| 105 | Q | 47.2 | Very low | 43.4 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 104.3 | 96 | 155.1 | -49.7 | -145.5 | 41.8 | 0 | 0 | 116.3 | ||||
| 106 | L | 36.3 | Very low | 43.2 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | -172.6 | 119.7 | 119 | -95.7 | 148.5 | 0 | 0 | 0 | 109.5 | |||||
| 107 | L | 45.3 | Very low | 43.4 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 152 | 171.1 | -92.2 | 66.1 | 0 | 0 | 0 | 111.5 | ||
| 108 | P | 48.9 | Very low | 43.6 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 151 | 143.7 | 16.3 | 1.1 | 0 | 0 | 0 | 111.3 | ||
| 109 | P | 43.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 147 | -169.9 | -10.6 | 27.5 | 0 | 0 | 0 | 113.5 | ||
| 110 | I | 44.8 | Very low | 43.5 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 125.9 | 168.9 | -64.2 | 159.9 | 0 | 0 | 0 | 109.7 | ||
| 111 | R | 45.4 | Very low | 43.1 | Very low | 234 Ų | 234 | 149.9 Ų | 149.9 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -119.1 | 114.8 | 163.3 | -167 | 179.2 | -155.9 | -172.2 | 6 | 108.7 | ||||
| 112 | P | 51.3 | Low | 42.9 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 141.4 | 172.7 | 30.4 | -29.5 | 0 | 0 | 0 | 110.1 | ||
| 113 | P | 48.1 | Very low | 43.3 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 144.3 | 162.9 | 30 | -30 | 0 | 0 | 0 | 110.4 | ||
| 114 | P | 45 | Very low | 43.9 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 146.7 | 179.1 | 30.1 | -33.3 | 0 | 0 | 0 | 112 | ||
| 115 | A | 38.9 | Very low | 44.2 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 116 | S | 36 | Very low | 44.5 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -147.8 | 125.7 | 154.9 | 56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 117 | E | 35.5 | Very low | 44.9 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -43.8 | 163.5 | 178.7 | -72.9 | -85.9 | 100.6 | 0 | 0 | 117 | ||||
| 118 | P | 45.3 | Very low | 45.5 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | trans | -82.8 | 130.3 | 178.7 | 33.6 | -30.8 | 0 | 0 | 0 | 111.5 | ||||
| 119 | E | 32.8 | Very low | 45.4 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -116.7 | 125.6 | 165.5 | -80.6 | -76.8 | 92.9 | 0 | 0 | 109.6 | ||||
| 120 | P | 51 | Low | 45.8 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 132 | 176.9 | 33.7 | -28.7 | 0 | 0 | 0 | 109.9 | ||||
| 121 | G | 34.9 | Very low | 46 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -179.2 | 93.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 122 | T | 46.5 | Very low | 46 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | trans | 60.8 | 118.3 | 135.6 | 156.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 123 | M | 47 | Very low | 45.4 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | trans | 80.2 | 130 | 142.2 | -64.2 | 171.7 | 80.6 | 0 | 0 | 117 | ||||
| 124 | V | 53.5 | Low | 45.2 | Very low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | cis | -149.6 | 149.8 | 34.6 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 125 | E | 50 | Low | 45.1 | Very low | 188 Ų | 188 | 137 Ų | 137 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -45.4 | 136.6 | 162.3 | -105.5 | -174.5 | 89.6 | 0 | 0 | 113 | ||||
| 126 | K | 53.5 | Low | 44.8 | Very low | 207 Ų | 207 | 135.6 Ų | 135.6 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | -148.2 | 105.3 | 148.7 | -152.2 | 173.7 | -176.5 | -170.3 | 0 | 109.5 | ||||
| 127 | G | 44.6 | Very low | 45.1 | Very low | 59 Ų | 59 | 136.1 Ų | 136.1 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 165.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 128 | S | 58 | Low | 45.1 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -152.9 | 121.4 | 141.5 | -69.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 129 | D | 46.8 | Very low | 44.8 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -58.7 | 145.3 | 174.6 | 56.8 | -70.5 | 0 | 0 | 0 | 112.5 | ||||
| 130 | S | 53.4 | Low | 44.9 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -167.5 | 105.8 | 138.3 | -86.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 131 | S | 48.4 | Very low | 44.1 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 141.2 | 171.3 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 132 | S | 45.8 | Very low | 44.5 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -160.9 | 106.2 | 140.5 | -83 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 133 | E | 39.1 | Very low | 44.3 | Very low | 183 Ų | 183 | 133.6 Ų | 133.6 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -61.6 | 140 | 164.2 | 58.1 | -154.9 | 78.5 | 0 | 0 | 112.3 | ||||
| 134 | K | 42.8 | Very low | 44.4 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | -178.6 | 135 | 122.6 | -169.8 | 162.7 | 174.1 | -176 | 0 | 111 | |||||
| 135 | S | 42.9 | Very low | 44.2 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -60.2 | 151.5 | -168.9 | -170.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 136 | G | 32.9 | Very low | 44.4 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -174.6 | 113.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 137 | V | 41.6 | Very low | 44.4 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -84.1 | 151.2 | -168.2 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 138 | S | 35.3 | Very low | 44.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | 76.7 | 109 | 157.1 | -81.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 139 | G | 39.5 | Very low | 44.9 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | 81.3 | 110.5 | 125.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 140 | T | 35.4 | Very low | 45.4 | Very low | 147 Ų | 147 | 128 Ų | 128 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | 174.1 | 129 | 118.5 | 32.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 141 | L | 34.7 | Very low | 45.6 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | 38.2 | 110.8 | 146.4 | -167.7 | 58.6 | 0 | 0 | 0 | 119.7 | T143 | L141-T143 PolarHBondContact O-N 3.34Š| ||
| 142 | S | 43.7 | Very low | 46.1 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -36.3 | 108.1 | 151.8 | -68 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 143 | T | 41.1 | Very low | 46.7 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -112 | 97.8 | 153.5 | -27.7 | 0 | 0 | 0 | 0 | 106.4 | L141 S145 | L141-T143 PolarHBondContact O-N 3.34Å; T143-S145 VanDerWaalsContact C-N 3.27Å; T143-S145 PolarHBondContact O-N 2.86Å | ||
| 144 | Q | 48.9 | Very low | 47.7 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -51 | 88.1 | 166.9 | 53.7 | -164.1 | 13.1 | 0 | 0 | 110.6 | L146 | Q144-L146 PolarHBondContact O-N 3.32Š| ||
| 145 | S | 49.5 | Very low | 48.5 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -89.6 | 63.3 | 166.6 | -163.3 | 0 | 0 | 0 | 0 | 109.2 | T143 G147 | T143-S145 VanDerWaalsContact C-N 3.27Å; T143-S145 PolarHBondContact O-N 2.86Å; S145-G147 PolarHBondContact O-N 3.49Å | ||
| 146 | L | 54.4 | Low | 49.7 | Very low | 167 Ų | 167 | 124 Ų | 124 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -81.7 | 88.6 | 164.2 | -75.3 | 165.7 | 0 | 0 | 0 | 107.1 | Q144 | Q144-L146 PolarHBondContact O-N 3.32Š| ||
| 147 | G | 53.8 | Low | 51.1 | Low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -177 | -30 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S145 | S145-G147 PolarHBondContact O-N 3.49Š|
| 148 | S | 54.9 | Low | 52.3 | Low | 75 Ų | 75 | 125.3 Ų | 125.3 | 52% | 0.524 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -114.5 | -4.1 | -164.1 | -53.1 | 0 | 0 | 0 | 0 | 116 | N150 | S148-N150 VanDerWaalsContact C-N 3.29Å; S148-N150 PolarHBondContact O-N 2.8Å |
| 149 | R | 58.4 | Low | 53.9 | Low | 212 Ų | 212 | 126.2 Ų | 126.2 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.5 | -178.2 | -86.7 | 168.6 | 90.1 | 161.5 | 2.3 | 115.5 | R153 | R149-R153 PolarHBondContact O-NE 2.86Š|
| 150 | N | 56.5 | Low | 55.3 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 60% | 0.599 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -20.9 | -179.6 | -66.4 | -31.8 | 0 | 0 | 0 | 113.9 | S148 R153 | S148-N150 VanDerWaalsContact C-N 3.29Å; S148-N150 PolarHBondContact O-N 2.8Å; N150-R153 PolarHBondContact OD1-NH2 3.32Å |
| 151 | F | 58.1 | Low | 57 | Low | 184 Ų | 184 | 126.2 Ų | 126.2 | 81% | 0.807 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79 | -36.6 | -179.5 | -152.2 | -99.6 | 0 | 0 | 0 | 112.2 | R153 N154 | F151-R153 PolarHBondContact O-N 2.83Å; F151-N154 PolarHBondContact O-N 2.76Å |
| 152 | I | 59.5 | Low | 58.5 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.2 | -33.6 | -176.2 | -62.2 | 152.1 | 0 | 0 | 0 | 111.8 | S155 | I152-S155 PolarHBondContact O-OG 2.85Å |
| 153 | R | 58.6 | Low | 59.6 | Low | 181 Ų | 181 | 123.8 Ų | 123.8 | 68% | 0.683 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.4 | -27.4 | 179.1 | -71.3 | -173.4 | -70.9 | 164.4 | 1.3 | 113.7 | R149 N150 F151 | R149-R153 PolarHBondContact O-NE 2.86Å; N150-R153 PolarHBondContact OD1-NH2 3.32Å; F151-R153 PolarHBondContact O-N 2.83Å |
| 154 | N | 58.2 | Low | 60.7 | Low | 85 Ų | 85 | 124.8 Ų | 124.8 | 46% | 0.455 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.4 | -29.6 | -179.7 | -164.4 | -28 | 0 | 0 | 0 | 112.2 | F151 K156 K157 M158 | F151-N154 PolarHBondContact O-N 2.76Å; N154-K156 VanDerWaalsContact C-N 3.31Å; N154-K156 PolarHBondContact O-N 2.85Å; N154-K157 PolarHBondContact O-N 2.84Å; N154-M158 PolarHBondContact O-N 3.28Å |
| 155 | S | 60 | Low | 61.7 | Low | 49 Ų | 49 | 122.7 Ų | 122.7 | 34% | 0.343 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -52.2 | -42 | 179.7 | 68.8 | 0 | 0 | 0 | 0 | 114 | I152 K157 M158 Q159 | I152-S155 PolarHBondContact O-OG 2.85Å; S155-K157 PolarHBondContact O-N 2.82Å; S155-M158 PolarHBondContact O-N 3.38Å; S155-Q159 VanDerWaalsContact O-CB 3.32Å; S155-Q159 WeakPolarHBondContact O-CB 3.33Å; S155-Q159 VanDerWaalsContact O-CG 3.23Å; S155-Q159 WeakPolarHBondContact O-CG 3.37Å; S155-Q159 PolarHBondContact O-N 2.93Å |
| 156 | K | 67.6 | Low | 62.3 | Low | 164 Ų | 164 | 122 Ų | 122 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.3 | -33.6 | 178.8 | -72 | -179 | 176.5 | 172.3 | 0 | 113.2 | N154 S160 | N154-K156 VanDerWaalsContact C-N 3.31Å; N154-K156 PolarHBondContact O-N 2.85Å; K156-S160 PolarHBondContact O-N 3.49Å |
| 157 | K | 63.6 | Low | 63.2 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.4 | -46.8 | 175 | -170.8 | 175.7 | 178.3 | 177.4 | 0 | 109.9 | N154 S155 Q159 S160 W161 | N154-K157 PolarHBondContact O-N 2.84Å; S155-K157 PolarHBondContact O-N 2.82Å; K157-Q159 PolarHBondContact O-N 3.01Å; K157-S160 WeakPolarHBondContact O-CB 3.22Å; K157-S160 PolarHBondContact O-N 2.77Å; K157-W161 PolarHBondContact O-N 2.79Å |
| 158 | M | 67.4 | Low | 64.7 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 47% | 0.468 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.7 | -40.9 | 174.8 | -83.9 | 167.9 | 63.4 | 0 | 0 | 112.4 | N154 S155 S160 W161 Y162 | N154-M158 PolarHBondContact O-N 3.28Å; S155-M158 PolarHBondContact O-N 3.38Å; M158-S160 VanDerWaalsContact C-N 3.29Å; M158-S160 PolarHBondContact O-N 3.22Å; M158-W161 PolarHBondContact O-N 3.19Å; M158-Y162 HydrophobicContact CB-CD2 4.41Å; M158-Y162 HydrophobicContact CE-CE2 4.26Å; M158-Y162 WeakPolarHBondContact O-CD2 3.37Å; M158-Y162 PolarHBondContact O-N 3.44Å |
| 159 | Q | 68.5 | Low | 66 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 62% | 0.621 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.4 | -38.4 | 175 | -80.1 | -175.7 | 3.8 | 0 | 0 | 112.5 | S155 K157 Y162 S163 | S155-Q159 VanDerWaalsContact O-CB 3.32Å; S155-Q159 WeakPolarHBondContact O-CB 3.33Å; S155-Q159 VanDerWaalsContact O-CG 3.23Å; S155-Q159 WeakPolarHBondContact O-CG 3.37Å; S155-Q159 PolarHBondContact O-N 2.93Å; K157-Q159 PolarHBondContact O-N 3.01Å; Q159-Y162 PolarHBondContact O-N 3.33Å; Q159-S163 VanDerWaalsContact O-CB 3.32Å; Q159-S163 WeakPolarHBondContact O-CB 3.33Å; Q159-S163 PolarHBondContact O-N 3.44Å |
| 160 | S | 69.2 | Low | 67.3 | Low | 59 Ų | 59 | 114.8 Ų | 114.8 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -47.8 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 112 | K156 K157 M158 Y162 S163 M164 | K156-S160 PolarHBondContact O-N 3.49Å; K157-S160 WeakPolarHBondContact O-CB 3.22Å; K157-S160 PolarHBondContact O-N 2.77Å; M158-S160 VanDerWaalsContact C-N 3.29Å; M158-S160 PolarHBondContact O-N 3.22Å; S160-Y162 PolarHBondContact O-N 3.04Å; S160-S163 PolarHBondContact O-N 3.07Å; S160-M164 WeakPolarHBondContact O-CG 3.01Å; S160-M164 PolarHBondContact O-N 2.81Å; S160-M164 VanDerWaalsContact O-N 3.1Å |
| 161 | W | 70.3 | Confident | 68.7 | Low | 153 Ų | 153 | 114 Ų | 114 | 58% | 0.58 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.4 | -40.5 | 176.7 | -66.6 | 101 | 0 | 0 | 0 | 112.4 | K157 M158 M164 L165 | K157-W161 PolarHBondContact O-N 2.79Å; M158-W161 PolarHBondContact O-N 3.19Å; W161-M164 PolarHBondContact O-N 2.92Å; W161-L165 WeakPolarHBondContact O-CB 3.37Å; W161-L165 VanDerWaalsContact O-CG 3.22Å; W161-L165 WeakPolarHBondContact O-CG 3.23Å; W161-L165 PolarHBondContact O-N 3.35Å |
| 162 | Y | 65.4 | Low | 70.1 | Confident | 151 Ų | 151 | 108.7 Ų | 108.7 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 175 | -86.2 | -73.6 | 0 | 0 | 0 | 112.5 | M158 Q159 S160 M164 L165 C166 | M158-Y162 HydrophobicContact CB-CD2 4.41Å; M158-Y162 HydrophobicContact CE-CE2 4.26Å; M158-Y162 WeakPolarHBondContact O-CD2 3.37Å; M158-Y162 PolarHBondContact O-N 3.44Å; Q159-Y162 PolarHBondContact O-N 3.33Å; S160-Y162 PolarHBondContact O-N 3.04Å; Y162-M164 VanDerWaalsContact C-N 3.31Å; Y162-M164 PolarHBondContact O-N 3.03Å; Y162-L165 PolarHBondContact O-N 3.34Å; Y162-C166 WeakPolarHBondContact O-CB 3.42Å; Y162-C166 PolarHBondContact O-N 2.75Å |
| 163 | S | 67.1 | Low | 71.4 | Confident | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68 | -29 | 176.4 | -169.9 | 0 | 0 | 0 | 0 | 113 | Q159 S160 | Q159-S163 VanDerWaalsContact O-CB 3.32Å; Q159-S163 WeakPolarHBondContact O-CB 3.33Å; Q159-S163 PolarHBondContact O-N 3.44Å; S160-S163 PolarHBondContact O-N 3.07Å |
| 164 | M | 65.4 | Low | 72.8 | Confident | 144 Ų | 144 | 101.3 Ų | 101.3 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -80.3 | -35.7 | 176 | -70.9 | -171.5 | 177.2 | 0 | 0 | 113 | S160 W161 Y162 | S160-M164 WeakPolarHBondContact O-CG 3.01Å; S160-M164 PolarHBondContact O-N 2.81Å; S160-M164 VanDerWaalsContact O-N 3.1Å; W161-M164 PolarHBondContact O-N 2.92Å; Y162-M164 VanDerWaalsContact C-N 3.31Å; Y162-M164 PolarHBondContact O-N 3.03Å |
| 165 | L | 68.8 | Low | 74.2 | Confident | 131 Ų | 131 | 100.4 Ų | 100.4 | 69% | 0.686 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -86.3 | -27 | -176 | -64.6 | 171.7 | 0 | 0 | 0 | 113 | W161 Y162 P167 | W161-L165 WeakPolarHBondContact O-CB 3.37Å; W161-L165 VanDerWaalsContact O-CG 3.22Å; W161-L165 WeakPolarHBondContact O-CG 3.23Å; W161-L165 PolarHBondContact O-N 3.35Å; Y162-L165 PolarHBondContact O-N 3.34Å; L165-P167 WeakPolarHBondContact O-CD 3.3Å |
| 166 | C | 63.4 | Low | 75.5 | Confident | 78 Ų | 78 | 98 Ų | 98 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -122.3 | 84.9 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 108.8 | Y162 T168 | Y162-C166 WeakPolarHBondContact O-CB 3.42Å; Y162-C166 PolarHBondContact O-N 2.75Å; C166-T168 PolarHBondContact O-N 2.89Å |
| 167 | P | 72.6 | Confident | 76.5 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 43% | 0.429 | 45% | 0.45 | S | S | . | . | trans | -54.1 | 120.8 | 174.6 | 18.9 | -29.2 | 0 | 0 | 0 | 109 | L165 R172 | L165-P167 WeakPolarHBondContact O-CD 3.3Å; P167-R172 HydrophobicContact CB-CG 4.23Å; P167-R172 HydrophobicContact CG-CG 4.48Å | ||
| 168 | T | 84.8 | Confident | 77.6 | Confident | 78 Ų | 78 | 92.4 Ų | 92.4 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | trans | -61.5 | 146.3 | -176.5 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | C166 K170 Q171 R172 | C166-T168 PolarHBondContact O-N 2.89Å; T168-K170 HydrophobicContact CG2-CB 4.35Å; T168-K170 HydrophobicContact CG2-CG 4.49Å; T168-K170 PolarHBondContact O-N 3.16Å; T168-K170 VanDerWaalsContact O-N 3.07Å; T168-Q171 WeakPolarHBondContact O-CB 3.5Å; T168-Q171 PolarHBondContact O-N 2.59Å; T168-R172 PolarHBondContact O-N 3.28Å | ||
| 169 | Y | 83.4 | Confident | 78.5 | Confident | 59 Ų | 59 | 90.9 Ų | 90.9 | 23% | 0.231 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -46.7 | -40.6 | 176.6 | 172.3 | -91.5 | 0 | 0 | 0 | 113.1 | Q171 R172 N173 R188 L189 | Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 3.01Å; Y169-R172 PolarHBondContact O-N 3.41Å; Y169-N173 HydrophobicContact CE1-CB 4.35Å; Y169-N173 WeakPolarHBondContact O-CB 3.46Å; Y169-N173 PolarHBondContact O-N 2.73Å; Y169-R188 VanDerWaalsContact CE1-CZ 3.46Å; Y169-R188 WeakPolarHBondContact OH-CG 3.38Å; Y169-R188 VanDerWaalsContact OH-CZ 3.26Å; Y169-R188 PolarHBondContact OH-NE 2.93Å; Y169-L189 WeakPolarHBondContact CE2-O 3.42Å; Y169-L189 PolarHBondContact OH-O 3.04Å |
| 170 | K | 83.8 | Confident | 79.3 | Confident | 162 Ų | 162 | 86.5 Ų | 86.5 | 70% | 0.704 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -56.3 | -44.8 | 176 | -67.5 | -170.9 | 174.9 | -172.1 | 0 | 112.6 | T168 N173 E174 | T168-K170 HydrophobicContact CG2-CB 4.35Å; T168-K170 HydrophobicContact CG2-CG 4.49Å; T168-K170 PolarHBondContact O-N 3.16Å; T168-K170 VanDerWaalsContact O-N 3.07Å; K170-N173 PolarHBondContact O-N 3.13Å; K170-E174 WeakPolarHBondContact O-CG 3.33Å; K170-E174 PolarHBondContact O-N 3.17Å |
| 171 | Q | 86.9 | Confident | 79.8 | Confident | 97 Ų | 97 | 88.6 Ų | 88.6 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | -178.5 | -169.5 | 152.8 | 14.6 | 0 | 0 | 111.6 | T168 Y169 N173 E174 D175 | T168-Q171 WeakPolarHBondContact O-CB 3.5Å; T168-Q171 PolarHBondContact O-N 2.59Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 3.01Å; Q171-N173 VanDerWaalsContact C-N 3.26Å; Q171-N173 PolarHBondContact O-N 3.3Å; Q171-E174 PolarHBondContact O-N 3.29Å; Q171-D175 VanDerWaalsContact O-CG 3.3Å; Q171-D175 PolarHBondContact O-N 3.44Å |
| 172 | R | 86.8 | Confident | 80.1 | Confident | 71 Ų | 71 | 86 Ų | 86 | 27% | 0.268 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 172.9 | -71.6 | -168.9 | -80.8 | 142.8 | -1.8 | 112.1 | P167 T168 Y169 F176 L189 D192 | P167-R172 HydrophobicContact CB-CG 4.23Å; P167-R172 HydrophobicContact CG-CG 4.48Å; T168-R172 PolarHBondContact O-N 3.28Å; Y169-R172 PolarHBondContact O-N 3.41Å; R172-F176 WeakPolarHBondContact O-CB 3.36Å; R172-F176 PolarHBondContact O-N 3Å; R172-L189 HydrophobicContact CB-CD2 3.88Å; R172-D192 WeakPolarHBondContact CD-OD1 3.5Å; R172-D192 IonicContact CZ-OD1 3.56Å; R172-D192 IonicContact NE-OD1 3.84Å; R172-D192 IonicContact NH1-OD1 2.59Å; R172-D192 PolarHBondContact NH1-OD1 3.31Å |
| 173 | N | 87.4 | Confident | 80.9 | Confident | 36 Ų | 36 | 80.4 Ų | 80.4 | 19% | 0.193 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 177.2 | -172.1 | 76.2 | 0 | 0 | 0 | 112.1 | Y169 K170 Q171 D175 F176 R177 L189 | Y169-N173 HydrophobicContact CE1-CB 4.35Å; Y169-N173 WeakPolarHBondContact O-CB 3.46Å; Y169-N173 PolarHBondContact O-N 2.73Å; K170-N173 PolarHBondContact O-N 3.13Å; Q171-N173 VanDerWaalsContact C-N 3.26Å; Q171-N173 PolarHBondContact O-N 3.3Å; N173-D175 VanDerWaalsContact C-N 3.34Å; N173-D175 PolarHBondContact O-N 2.91Å; N173-F176 WeakPolarHBondContact O-CB 3.21Å; N173-F176 PolarHBondContact O-N 3.15Å; N173-R177 WeakPolarHBondContact O-CG 3.5Å; N173-R177 PolarHBondContact O-N 3.35Å; N173-L189 HydrophobicContact CB-CB 4.37Å; N173-L189 WeakPolarHBondContact OD1-CB 3.41Å; N173-L189 PolarHBondContact OD1-N 3.47Å; N173-L189 VanDerWaalsContact OD1-N 3.13Å |
| 174 | E | 88.5 | Confident | 81.6 | Confident | 114 Ų | 114 | 80.7 Ų | 80.7 | 53% | 0.533 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.2 | -74.8 | -174.3 | 167.6 | 0 | 0 | 112 | K170 Q171 F176 R177 K178 | K170-E174 WeakPolarHBondContact O-CG 3.33Å; K170-E174 PolarHBondContact O-N 3.17Å; Q171-E174 PolarHBondContact O-N 3.29Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 2.51Å; E174-R177 PolarHBondContact O-N 2.93Å; E174-K178 WeakPolarHBondContact O-CG 3.33Å; E174-K178 PolarHBondContact O-N 3.2Å |
| 175 | D | 87.4 | Confident | 82.1 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 35% | 0.353 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 176.5 | -65.7 | -23.4 | 0 | 0 | 0 | 111.3 | Q171 N173 R177 K178 L179 | Q171-D175 VanDerWaalsContact O-CG 3.3Å; Q171-D175 PolarHBondContact O-N 3.44Å; N173-D175 VanDerWaalsContact C-N 3.34Å; N173-D175 PolarHBondContact O-N 2.91Å; D175-R177 PolarHBondContact O-N 2.97Å; D175-K178 PolarHBondContact O-N 3.38Å; D175-K178 IonicContact OD1-NZ 3.36Å; D175-K178 PolarHBondContact OD1-NZ 2.95Å; D175-L179 VanDerWaalsContact O-CG 3.27Å; D175-L179 WeakPolarHBondContact O-CG 3.5Å; D175-L179 PolarHBondContact O-N 3.25Å |
| 176 | F | 87.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 171.6 | 173 | -111.4 | 0 | 0 | 0 | 112.3 | R172 N173 E174 K178 L179 F180 L183 L189 Y208 C215 | R172-F176 WeakPolarHBondContact O-CB 3.36Å; R172-F176 PolarHBondContact O-N 3Å; N173-F176 WeakPolarHBondContact O-CB 3.21Å; N173-F176 PolarHBondContact O-N 3.15Å; E174-F176 VanDerWaalsContact C-N 3.32Å; E174-F176 PolarHBondContact O-N 2.51Å; F176-K178 VanDerWaalsContact C-N 3.33Å; F176-K178 PolarHBondContact O-N 3.48Å; F176-L179 PolarHBondContact O-N 3.46Å; F176-F180 AromaticContact CD2-CD2 3.3Å; F176-F180 HydrophobicContact CD2-CD2 3.3Å; F176-F180 AromaticContact CD2-CE2 3.56Å; F176-F180 HydrophobicContact CD2-CE2 3.56Å; F176-F180 HydrophobicContact CD2-CG 4.47Å; F176-F180 AromaticContact CE2-CD2 3.31Å; F176-F180 HydrophobicContact CE2-CD2 3.31Å; F176-F180 AromaticContact CE2-CE2 3.63Å; F176-F180 HydrophobicContact CE2-CE2 3.63Å; F176-F180 HydrophobicContact CE2-CG 4.2Å; F176-F180 HydrophobicContact CG-CD2 4.22Å; F176-F180 HydrophobicContact CZ-CD2 4.28Å; F176-F180 WeakPolarHBondContact O-CD2 3.36Å; F176-F180 PolarHBondContact O-N 2.98Å; F176-L183 HydrophobicContact CE1-CD1 4.32Å; F176-L183 HydrophobicContact CE2-CD1 4.19Å; F176-L183 HydrophobicContact CZ-CD1 3.62Å; F176-L189 HydrophobicContact CB-CB 4.47Å; F176-L189 HydrophobicContact CB-CD2 4.25Å; F176-L189 HydrophobicContact CD1-CB 4.01Å; F176-L189 HydrophobicContact CD2-CD1 4.2Å; F176-L189 HydrophobicContact CG-CB 4.31Å; F176-L189 HydrophobicContact CG-CD1 4.18Å; F176-Y208 AromaticContact CD2-CD1 3.94Å; F176-Y208 HydrophobicContact CD2-CD1 3.94Å; F176-Y208 HydrophobicContact CD2-CD2 4.43Å; F176-Y208 AromaticContact CD2-CG 3.74Å; F176-Y208 HydrophobicContact CD2-CG 3.74Å; F176-Y208 HydrophobicContact CE2-CG 4.2Å; F176-C215 HydrophobicContact CE2-CB 4.3Å |
| 177 | R | 87.3 | Confident | 83.6 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 16% | 0.162 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 175.7 | -64 | -71.2 | 85.9 | 170 | -10.4 | 112.5 | N173 E174 D175 F180 S181 P184 E185 E187 | N173-R177 WeakPolarHBondContact O-CG 3.5Å; N173-R177 PolarHBondContact O-N 3.35Å; E174-R177 PolarHBondContact O-N 2.93Å; D175-R177 PolarHBondContact O-N 2.97Å; R177-F180 CarbonylContact O-C 3.36Å; R177-S181 PolarHBondContact O-N 2.92Å; R177-P184 PolarHBondContact NH1-O 3.36Å; R177-E185 PolarHBondContact NH1-O 3.17Å; R177-E187 VanDerWaalsContact CZ-O 3.24Å; R177-E187 PolarHBondContact NH1-O 2.95Å |
| 178 | K | 87.3 | Confident | 84.2 | Confident | 142 Ų | 142 | 80.9 Ų | 80.9 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.4 | -41.8 | 175.6 | -68.8 | 170.4 | -165.9 | 159.2 | 0 | 112.2 | E174 D175 F176 F180 | E174-K178 WeakPolarHBondContact O-CG 3.33Å; E174-K178 PolarHBondContact O-N 3.2Å; D175-K178 PolarHBondContact O-N 3.38Å; D175-K178 IonicContact OD1-NZ 3.36Å; D175-K178 PolarHBondContact OD1-NZ 2.95Å; F176-K178 VanDerWaalsContact C-N 3.33Å; F176-K178 PolarHBondContact O-N 3.48Å; K178-F180 VanDerWaalsContact C-N 3.33Å |
| 179 | L | 86.8 | Confident | 84.4 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.8 | -33.6 | 178.8 | -69.9 | 172.8 | 0 | 0 | 0 | 112.1 | D175 F176 Y208 Y217 | D175-L179 VanDerWaalsContact O-CG 3.27Å; D175-L179 WeakPolarHBondContact O-CG 3.5Å; D175-L179 PolarHBondContact O-N 3.25Å; F176-L179 PolarHBondContact O-N 3.46Å; L179-Y208 HydrophobicContact CD1-CE2 3.88Å; L179-Y208 WeakPolarHBondContact CD1-OH 3.42Å; L179-Y217 HydrophobicContact CD1-CG 4.43Å; L179-Y217 HydrophobicContact CD2-CD2 4.02Å; L179-Y217 HydrophobicContact CD2-CE1 4.26Å; L179-Y217 HydrophobicContact CD2-CE2 3.7Å; L179-Y217 HydrophobicContact CD2-CG 4.45Å |
| 180 | F | 84.3 | Confident | 84.8 | Confident | 40 Ų | 40 | 79.2 Ų | 79.2 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 64.7 | -175.8 | -54.7 | -76 | 0 | 0 | 0 | 111.5 | F176 R177 K178 K182 L183 Y208 C215 | F176-F180 AromaticContact CD2-CD2 3.3Å; F176-F180 HydrophobicContact CD2-CD2 3.3Å; F176-F180 AromaticContact CD2-CE2 3.56Å; F176-F180 HydrophobicContact CD2-CE2 3.56Å; F176-F180 HydrophobicContact CD2-CG 4.47Å; F176-F180 AromaticContact CE2-CD2 3.31Å; F176-F180 HydrophobicContact CE2-CD2 3.31Å; F176-F180 AromaticContact CE2-CE2 3.63Å; F176-F180 HydrophobicContact CE2-CE2 3.63Å; F176-F180 HydrophobicContact CE2-CG 4.2Å; F176-F180 HydrophobicContact CG-CD2 4.22Å; F176-F180 HydrophobicContact CZ-CD2 4.28Å; F176-F180 WeakPolarHBondContact O-CD2 3.36Å; F176-F180 PolarHBondContact O-N 2.98Å; R177-F180 CarbonylContact O-C 3.36Å; K178-F180 VanDerWaalsContact C-N 3.33Å; F180-K182 PolarHBondContact O-N 3.46Å; F180-K182 VanDerWaalsContact O-N 3.17Å; F180-L183 HydrophobicContact CB-CB 4.46Å; F180-L183 HydrophobicContact CB-CD1 3.44Å; F180-L183 VanDerWaalsContact CB-CD1 3.44Å; F180-L183 HydrophobicContact CB-CG 3.93Å; F180-L183 HydrophobicContact CG-CD1 3.98Å; F180-L183 PolarHBondContact O-N 3.07Å; F180-L183 VanDerWaalsContact O-N 3.15Å; F180-Y208 AromaticContact CE2-CD2 3.54Å; F180-Y208 HydrophobicContact CE2-CD2 3.54Å; F180-Y208 HydrophobicContact CE2-CE2 4.03Å; F180-Y208 HydrophobicContact CE2-CG 4.09Å; F180-Y208 AromaticContact CZ-CD2 3.92Å; F180-Y208 HydrophobicContact CZ-CD2 3.92Å; F180-Y208 HydrophobicContact CZ-CE2 4.41Å; F180-C215 HydrophobicContact CD1-CB 4.19Å; F180-C215 HydrophobicContact CD2-CB 4.34Å; F180-C215 HydrophobicContact CE1-CB 3.64Å; F180-C215 HydrophobicContact CE2-CB 3.81Å; F180-C215 HydrophobicContact CZ-CB 3.42Å; F180-C215 VanDerWaalsContact CZ-CB 3.42Å |
| 181 | S | 79.9 | Confident | 85.1 | Confident | 103 Ų | 103 | 73 Ų | 73 | 72% | 0.72 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19 | -178.7 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | R177 | R177-S181 PolarHBondContact O-N 2.92Š|
| 182 | K | 77.6 | Confident | 85.3 | Confident | 100 Ų | 100 | 69.9 Ų | 69.9 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.1 | 178.2 | -59.4 | -176.5 | -169.6 | 167.2 | 0 | 114 | S57 S58 D59 F180 | S57-K182 WeakPolarHBondContact OG-CD 3.28Å; S57-K182 PolarHBondContact OG-NZ 2.97Å; S57-K182 VanDerWaalsContact OG-NZ 3.07Å; S58-K182 VanDerWaalsContact C-NZ 3.3Å; S58-K182 PolarHBondContact O-NZ 3.49Å; D59-K182 WeakPolarHBondContact OD1-CE 2.92Å; D59-K182 IonicContact OD1-NZ 2.92Å; D59-K182 PolarHBondContact OD1-NZ 3.26Å; D59-K182 VanDerWaalsContact OD2-CE 3.29Å; D59-K182 WeakPolarHBondContact OD2-CE 3.29Å; D59-K182 IonicContact OD2-NZ 2.81Å; D59-K182 PolarHBondContact OD2-NZ 3.24Å; F180-K182 PolarHBondContact O-N 3.46Å; F180-K182 VanDerWaalsContact O-N 3.17Å |
| 183 | L | 81.1 | Confident | 85.6 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -78.2 | 145.8 | 179.1 | -74.4 | 172.6 | 0 | 0 | 0 | 110.6 | F176 F180 E185 W213 | F176-L183 HydrophobicContact CE1-CD1 4.32Å; F176-L183 HydrophobicContact CE2-CD1 4.19Å; F176-L183 HydrophobicContact CZ-CD1 3.62Å; F180-L183 HydrophobicContact CB-CB 4.46Å; F180-L183 HydrophobicContact CB-CD1 3.44Å; F180-L183 VanDerWaalsContact CB-CD1 3.44Å; F180-L183 HydrophobicContact CB-CG 3.93Å; F180-L183 HydrophobicContact CG-CD1 3.98Å; F180-L183 PolarHBondContact O-N 3.07Å; F180-L183 VanDerWaalsContact O-N 3.15Å; L183-E185 PolarHBondContact O-N 2.91Å; L183-W213 HydrophobicContact CD2-CB 4.41Å; L183-W213 HydrophobicContact CD2-CD2 3.78Å; L183-W213 HydrophobicContact CD2-CE3 4.27Å; L183-W213 HydrophobicContact CD2-CG 3.81Å |
| 184 | P | 82.3 | Confident | 85.8 | Confident | 70 Ų | 70 | 75.2 Ų | 75.2 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | trans | -55 | 137 | 174.6 | -22.1 | 31.4 | 0 | 0 | 0 | 111.5 | R177 A186 E187 | R177-P184 PolarHBondContact NH1-O 3.36Å; P184-A186 PolarHBondContact O-N 3.39Å; P184-A186 VanDerWaalsContact O-N 3.16Å; P184-E187 HydrophobicContact CB-CG 4.32Å; P184-E187 HydrophobicContact CG-CG 4.47Å; P184-E187 WeakPolarHBondContact O-CB 2.84Å; P184-E187 WeakPolarHBondContact O-CG 3.03Å; P184-E187 PolarHBondContact O-N 3.35Å | ||
| 185 | E | 75.4 | Confident | 86 | Confident | 178 Ų | 178 | 72.1 Ų | 72.1 | 83% | 0.832 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.1 | -175.6 | -169.4 | 149.8 | -158.8 | 0 | 0 | 113.5 | R177 L183 E187 | R177-E185 PolarHBondContact NH1-O 3.17Å; L183-E185 PolarHBondContact O-N 2.91Å; E185-E187 PolarHBondContact O-N 3.31Å |
| 186 | A | 80.7 | Confident | 86.2 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 78% | 0.777 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | P184 R188 | P184-A186 PolarHBondContact O-N 3.39Å; P184-A186 VanDerWaalsContact O-N 3.16Å; A186-R188 PolarHBondContact O-N 2.88Å |
| 187 | E | 84.1 | Confident | 86.2 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.065 | 39% | 0.394 | C | S | . | . | trans | -71.4 | 126.2 | -179.5 | -67.9 | -66.1 | 157.4 | 0 | 0 | 111.7 | R177 P184 E185 N212 W213 | R177-E187 VanDerWaalsContact CZ-O 3.24Å; R177-E187 PolarHBondContact NH1-O 2.95Å; P184-E187 HydrophobicContact CB-CG 4.32Å; P184-E187 HydrophobicContact CG-CG 4.47Å; P184-E187 WeakPolarHBondContact O-CB 2.84Å; P184-E187 WeakPolarHBondContact O-CG 3.03Å; P184-E187 PolarHBondContact O-N 3.35Å; E185-E187 PolarHBondContact O-N 3.31Å; E187-N212 WeakPolarHBondContact OE1-CB 3.32Å; E187-N212 PolarHBondContact OE1-ND2 3.47Å; E187-N212 PolarHBondContact OE2-N 2.73Å; E187-W213 PolarHBondContact OE1-NE1 3.36Å | ||
| 188 | R | 85 | Confident | 86.2 | Confident | 136 Ų | 136 | 78 Ų | 78 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | trans | -105.4 | 129.5 | -178.2 | -176.4 | 176 | 176.1 | 94.2 | 0.7 | 110.1 | Y169 A186 I190 S210 | Y169-R188 VanDerWaalsContact CE1-CZ 3.46Å; Y169-R188 WeakPolarHBondContact OH-CG 3.38Å; Y169-R188 VanDerWaalsContact OH-CZ 3.26Å; Y169-R188 PolarHBondContact OH-NE 2.93Å; A186-R188 PolarHBondContact O-N 2.88Å; R188-I190 PolarHBondContact O-N 3.03Å; R188-S210 VanDerWaalsContact O-CA 3.3Å; R188-S210 WeakPolarHBondContact O-CA 3.22Å; R188-S210 WeakPolarHBondContact O-CB 3.44Å | ||
| 189 | L | 89.4 | Confident | 86 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 125.9 | 172.1 | 177.9 | 67 | 0 | 0 | 0 | 108.8 | Y169 R172 N173 F176 Y208 | Y169-L189 WeakPolarHBondContact CE2-O 3.42Å; Y169-L189 PolarHBondContact OH-O 3.04Å; R172-L189 HydrophobicContact CB-CD2 3.88Å; N173-L189 HydrophobicContact CB-CB 4.37Å; N173-L189 WeakPolarHBondContact OD1-CB 3.41Å; N173-L189 PolarHBondContact OD1-N 3.47Å; N173-L189 VanDerWaalsContact OD1-N 3.13Å; F176-L189 HydrophobicContact CB-CB 4.47Å; F176-L189 HydrophobicContact CB-CD2 4.25Å; F176-L189 HydrophobicContact CD1-CB 4.01Å; F176-L189 HydrophobicContact CD2-CD1 4.2Å; F176-L189 HydrophobicContact CG-CB 4.31Å; F176-L189 HydrophobicContact CG-CD1 4.18Å; L189-Y208 HydrophobicContact CD1-CD1 3.84Å; L189-Y208 HydrophobicContact CD1-CG 4.39Å |
| 190 | I | 91 | Very high | 85.8 | Confident | 101 Ų | 101 | 84.1 Ų | 84.1 | 52% | 0.518 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -53.5 | 173.8 | -60.8 | 175.3 | 0 | 0 | 0 | 108.6 | R188 L209 E211 | R188-I190 PolarHBondContact O-N 3.03Å; I190-L209 WeakPolarHBondContact CB-O 3.27Å; I190-L209 PolarHBondContact N-O 3.46Å; I190-E211 HydrophobicContact CD1-CG 4.07Å; I190-E211 HydrophobicContact CG1-CG 4.34Å |
| 191 | V | 90.3 | Very high | 85.8 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 19% | 0.188 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 147.7 | -173.1 | 62.5 | 0 | 0 | 0 | 0 | 111.3 | Y193 L209 | V191-Y193 HydrophobicContact CB-CE2 4.17Å; V191-Y193 HydrophobicContact CG1-CD2 4.12Å; V191-Y193 HydrophobicContact CG1-CE2 3.36Å; V191-Y193 HydrophobicContact CG2-CD1 4.42Å; V191-Y193 HydrophobicContact CG2-CD2 4.24Å; V191-Y193 HydrophobicContact CG2-CE1 3.88Å; V191-Y193 HydrophobicContact CG2-CE2 3.68Å; V191-Y193 VanDerWaalsContact CG2-CZ 3.47Å; V191-L209 HydrophobicContact CG1-CB 3.81Å; V191-L209 HydrophobicContact CG1-CD1 4.19Å; V191-L209 HydrophobicContact CG1-CD2 4.23Å; V191-L209 HydrophobicContact CG1-CG 4.3Å; V191-L209 PolarHBondContact N-O 3.1Å; V191-L209 PolarHBondContact O-N 3.23Å |
| 192 | D | 91.9 | Very high | 86.1 | Confident | 32 Ų | 32 | 86.4 Ų | 86.4 | 17% | 0.171 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.4 | 168.2 | 65.3 | -57.6 | 0 | 0 | 0 | 110.3 | R172 R206 L207 Y208 | R172-D192 WeakPolarHBondContact CD-OD1 3.5Å; R172-D192 IonicContact CZ-OD1 3.56Å; R172-D192 IonicContact NE-OD1 3.84Å; R172-D192 IonicContact NH1-OD1 2.59Å; R172-D192 PolarHBondContact NH1-OD1 3.31Å; D192-R206 IonicContact OD2-NH1 3.96Å; D192-L207 CarbonylContact C-O 3.5Å; D192-L207 WeakPolarHBondContact CA-O 3.46Å; D192-Y208 HydrophobicContact CB-CD1 3.83Å; D192-Y208 HydrophobicContact CB-CE1 3.92Å |
| 193 | Y | 92.3 | Very high | 86.6 | Confident | 128 Ų | 128 | 82.8 Ų | 82.8 | 50% | 0.502 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.7 | 173 | -63.9 | -71.2 | 0 | 0 | 0 | 109.6 | V191 R206 L207 L209 | V191-Y193 HydrophobicContact CB-CE2 4.17Å; V191-Y193 HydrophobicContact CG1-CD2 4.12Å; V191-Y193 HydrophobicContact CG1-CE2 3.36Å; V191-Y193 HydrophobicContact CG2-CD1 4.42Å; V191-Y193 HydrophobicContact CG2-CD2 4.24Å; V191-Y193 HydrophobicContact CG2-CE1 3.88Å; V191-Y193 HydrophobicContact CG2-CE2 3.68Å; V191-Y193 VanDerWaalsContact CG2-CZ 3.47Å; Y193-R206 CarbonylContact O-C 3.56Å; Y193-R206 WeakPolarHBondContact O-CA 3.37Å; Y193-L207 PolarHBondContact N-O 2.95Å; Y193-L207 PolarHBondContact O-N 3.46Å; Y193-L209 HydrophobicContact CD2-CD1 3.79Å; Y193-L209 HydrophobicContact CE2-CD1 4.03Å |
| 194 | S | 92.1 | Very high | 87.1 | Confident | 92 Ų | 92 | 87.5 Ų | 87.5 | 64% | 0.643 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 122 | 168.3 | -63 | 0 | 0 | 0 | 0 | 108.4 | ||
| 195 | C | 91.4 | Very high | 87.6 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 32% | 0.324 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 164.2 | -177 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | G205 L207 | C195-G205 PolarHBondContact N-O 3.24Å; C195-G205 CarbonylContact O-C 3.36Å; C195-G205 PolarHBondContact O-N 2.89Å; C195-L207 VanDerWaalsContact SG-CB 3.6Å |
| 196 | A | 91.5 | Very high | 88.5 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L202 L203 | A196-L202 HydrophobicContact CB-CB 4.44Å; A196-L202 HydrophobicContact CB-CD2 3.97Å; A196-L203 CarbonylContact C-O 3.4Å; A196-L203 VanDerWaalsContact CA-O 3.22Å; A196-L203 WeakPolarHBondContact CA-O 3.33Å |
| 197 | L | 89.2 | Confident | 89.1 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 121.7 | 177 | -177.9 | 68.6 | 0 | 0 | 0 | 109.3 | I54 R199 L203 F216 | I54-L197 HydrophobicContact CD1-CD2 3.34Å; L197-R199 HydrophobicContact CD2-CG 4.34Å; L197-R199 HydrophobicContact CG-CG 4.35Å; L197-R199 PolarHBondContact O-N 3.36Å; L197-L203 HydrophobicContact CB-CB 4.39Å; L197-L203 HydrophobicContact CD2-CD1 4.44Å; L197-L203 PolarHBondContact N-O 3.48Å; L197-L203 PolarHBondContact O-N 3.27Å; L197-F216 HydrophobicContact CB-CD1 4.3Å; L197-F216 HydrophobicContact CB-CE1 3.72Å; L197-F216 HydrophobicContact CB-CE2 4.13Å; L197-F216 HydrophobicContact CB-CZ 3.64Å; L197-F216 HydrophobicContact CD2-CD1 4Å; L197-F216 HydrophobicContact CD2-CE1 4.07Å |
| 198 | Q | 87.2 | Confident | 89.5 | Confident | 133 Ų | 133 | 78.9 Ų | 78.9 | 62% | 0.621 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.3 | 177.5 | -174.8 | 71 | 47.5 | 0 | 0 | 110.2 | L202 | Q198-L202 HydrophobicContact CB-CD2 4.33Å |
| 199 | R | 82.4 | Confident | 89.8 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -121.8 | -129.1 | 165.2 | -67.4 | -174.3 | 170.6 | -150.5 | -7.2 | 108.3 | I54 L197 I201 | I54-R199 VanDerWaalsContact CG1-NH2 3.34Å; L197-R199 HydrophobicContact CD2-CG 4.34Å; L197-R199 HydrophobicContact CG-CG 4.35Å; L197-R199 PolarHBondContact O-N 3.36Å; R199-I201 VanDerWaalsContact C-N 3.3Å; R199-I201 PolarHBondContact N-O 3.19Å |
| 200 | E | 82.4 | Confident | 89.9 | Confident | 196 Ų | 196 | 75.1 Ų | 75.1 | 92% | 0.916 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -69.2 | -31.2 | 172.8 | -65.8 | 177.4 | -177.3 | 0 | 0 | 112.1 | ||
| 201 | I | 84.7 | Confident | 89.7 | Confident | 90 Ų | 90 | 76 Ų | 76 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -132.4 | 160.9 | 169.2 | 60 | -167.9 | 0 | 0 | 0 | 109.5 | R199 L203 F221 | R199-I201 VanDerWaalsContact C-N 3.3Å; R199-I201 PolarHBondContact N-O 3.19Å; I201-L203 HydrophobicContact CD1-CD2 4.43Å; I201-L203 HydrophobicContact CG1-CD2 3.64Å; I201-L203 WeakPolarHBondContact O-CD2 3.38Å; I201-L203 PolarHBondContact O-N 2.88Å; I201-F221 HydrophobicContact CD1-CE1 3.73Å; I201-F221 HydrophobicContact CD1-CE2 4.17Å; I201-F221 HydrophobicContact CD1-CZ 3.22Å; I201-F221 HydrophobicContact CG1-CE2 4.32Å; I201-F221 HydrophobicContact CG1-CZ 3.83Å |
| 202 | L | 85.3 | Confident | 89.6 | Confident | 102 Ų | 102 | 80 Ų | 80 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 106.9 | 175.6 | -80.3 | 169.5 | 0 | 0 | 0 | 109.8 | A196 Q198 Q204 | A196-L202 HydrophobicContact CB-CB 4.44Å; A196-L202 HydrophobicContact CB-CD2 3.97Å; Q198-L202 HydrophobicContact CB-CD2 4.33Å; L202-Q204 PolarHBondContact O-N 2.8Å |
| 203 | L | 89.6 | Confident | 89.5 | Confident | 23 Ų | 23 | 84.6 Ų | 84.6 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 104.3 | 175.9 | -37.4 | -174.5 | 0 | 0 | 0 | 108.9 | A196 L197 I201 G205 F216 F221 | A196-L203 CarbonylContact C-O 3.4Å; A196-L203 VanDerWaalsContact CA-O 3.22Å; A196-L203 WeakPolarHBondContact CA-O 3.33Å; L197-L203 HydrophobicContact CB-CB 4.39Å; L197-L203 HydrophobicContact CD2-CD1 4.44Å; L197-L203 PolarHBondContact N-O 3.48Å; L197-L203 PolarHBondContact O-N 3.27Å; I201-L203 HydrophobicContact CD1-CD2 4.43Å; I201-L203 HydrophobicContact CG1-CD2 3.64Å; I201-L203 WeakPolarHBondContact O-CD2 3.38Å; I201-L203 PolarHBondContact O-N 2.88Å; L203-G205 PolarHBondContact O-N 3.46Å; L203-F216 HydrophobicContact CB-CE1 4.26Å; L203-F216 WeakPolarHBondContact O-CZ 3.41Å; L203-F221 HydrophobicContact CB-CD2 3.93Å; L203-F221 HydrophobicContact CB-CE2 3.89Å; L203-F221 HydrophobicContact CD1-CD2 4.2Å; L203-F221 HydrophobicContact CD2-CD2 3.39Å; L203-F221 HydrophobicContact CD2-CE2 3.01Å; L203-F221 HydrophobicContact CD2-CG 4.44Å; L203-F221 HydrophobicContact CD2-CZ 3.77Å; L203-F221 HydrophobicContact CG-CD2 4Å; L203-F221 HydrophobicContact CG-CE2 3.93Å |
| 204 | Q | 91.3 | Very high | 89.4 | Confident | 131 Ų | 131 | 83.7 Ų | 83.7 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.5 | 175.3 | -170.1 | -176.5 | -22.2 | 0 | 0 | 110.4 | L202 S218 N219 I220 | L202-Q204 PolarHBondContact O-N 2.8Å; Q204-S218 PolarHBondContact O-OG 3.28Å; Q204-N219 PolarHBondContact O-N 3.22Å; Q204-I220 HydrophobicContact CB-CD1 3.61Å; Q204-I220 HydrophobicContact CB-CG1 4.03Å |
| 205 | G | 93.4 | Very high | 89.3 | Confident | 7 Ų | 7 | 80 Ų | 80 | 7% | 0.072 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | -160.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C195 L203 Y217 | C195-G205 PolarHBondContact N-O 3.24Å; C195-G205 CarbonylContact O-C 3.36Å; C195-G205 PolarHBondContact O-N 2.89Å; L203-G205 PolarHBondContact O-N 3.46Å; G205-Y217 CarbonylContact C-O 3.57Å; G205-Y217 WeakPolarHBondContact CA-O 3.23Å |
| 206 | R | 92.6 | Very high | 89.3 | Confident | 107 Ų | 107 | 79.8 Ų | 79.8 | 40% | 0.404 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132 | 175.8 | -70.6 | -173.1 | 165.8 | -159.6 | -3.7 | 109.5 | D192 Y193 Y208 Y217 | D192-R206 IonicContact OD2-NH1 3.96Å; Y193-R206 CarbonylContact O-C 3.56Å; Y193-R206 WeakPolarHBondContact O-CA 3.37Å; R206-Y208 HydrophobicContact CB-CD2 4.47Å; R206-Y208 HydrophobicContact CB-CE2 3.77Å; R206-Y208 WeakPolarHBondContact CD-OH 3.19Å; R206-Y217 PolarHBondContact N-O 2.87Å; R206-Y217 PolarHBondContact O-N 3.44Å |
| 207 | L | 93.3 | Very high | 89.2 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.7 | 172.9 | -172.2 | 70.3 | 0 | 0 | 0 | 108.7 | D192 Y193 C195 L209 I214 F216 | D192-L207 CarbonylContact C-O 3.5Å; D192-L207 WeakPolarHBondContact CA-O 3.46Å; Y193-L207 PolarHBondContact N-O 2.95Å; Y193-L207 PolarHBondContact O-N 3.46Å; C195-L207 VanDerWaalsContact SG-CB 3.6Å; L207-L209 HydrophobicContact CD2-CD1 3.77Å; L207-L209 HydrophobicContact CG-CD1 3.78Å; L207-I214 HydrophobicContact CD1-CG2 3.56Å; L207-I214 HydrophobicContact CG-CG2 4.24Å; L207-F216 HydrophobicContact CB-CD2 4.42Å; L207-F216 HydrophobicContact CD1-CB 4.07Å; L207-F216 HydrophobicContact CD1-CD2 4.29Å |
| 208 | Y | 92.8 | Very high | 89.1 | Confident | 15 Ų | 15 | 80.5 Ų | 80.5 | 6% | 0.059 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.1 | 175.1 | -59.7 | -84.7 | 0 | 0 | 0 | 108.7 | F176 L179 F180 L189 D192 R206 C215 | F176-Y208 AromaticContact CD2-CD1 3.94Å; F176-Y208 HydrophobicContact CD2-CD1 3.94Å; F176-Y208 HydrophobicContact CD2-CD2 4.43Å; F176-Y208 AromaticContact CD2-CG 3.74Å; F176-Y208 HydrophobicContact CD2-CG 3.74Å; F176-Y208 HydrophobicContact CE2-CG 4.2Å; L179-Y208 HydrophobicContact CD1-CE2 3.88Å; L179-Y208 WeakPolarHBondContact CD1-OH 3.42Å; F180-Y208 AromaticContact CE2-CD2 3.54Å; F180-Y208 HydrophobicContact CE2-CD2 3.54Å; F180-Y208 HydrophobicContact CE2-CE2 4.03Å; F180-Y208 HydrophobicContact CE2-CG 4.09Å; F180-Y208 AromaticContact CZ-CD2 3.92Å; F180-Y208 HydrophobicContact CZ-CD2 3.92Å; F180-Y208 HydrophobicContact CZ-CE2 4.41Å; L189-Y208 HydrophobicContact CD1-CD1 3.84Å; L189-Y208 HydrophobicContact CD1-CG 4.39Å; D192-Y208 HydrophobicContact CB-CD1 3.83Å; D192-Y208 HydrophobicContact CB-CE1 3.92Å; R206-Y208 HydrophobicContact CB-CD2 4.47Å; R206-Y208 HydrophobicContact CB-CE2 3.77Å; R206-Y208 WeakPolarHBondContact CD-OH 3.19Å; Y208-C215 PolarHBondContact N-O 3.28Å; Y208-C215 PolarHBondContact O-N 3.31Å |
| 209 | L | 92 | Very high | 88.6 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 125.9 | 173.3 | -76.8 | 77.8 | 0 | 0 | 0 | 108.3 | I190 V191 Y193 L207 | I190-L209 WeakPolarHBondContact CB-O 3.27Å; I190-L209 PolarHBondContact N-O 3.46Å; V191-L209 HydrophobicContact CG1-CB 3.81Å; V191-L209 HydrophobicContact CG1-CD1 4.19Å; V191-L209 HydrophobicContact CG1-CD2 4.23Å; V191-L209 HydrophobicContact CG1-CG 4.3Å; V191-L209 PolarHBondContact N-O 3.1Å; V191-L209 PolarHBondContact O-N 3.23Å; Y193-L209 HydrophobicContact CD2-CD1 3.79Å; Y193-L209 HydrophobicContact CE2-CD1 4.03Å; L207-L209 HydrophobicContact CD2-CD1 3.77Å; L207-L209 HydrophobicContact CG-CD1 3.78Å |
| 210 | S | 90.7 | Very high | 88.1 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -179.7 | 168.4 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | R188 N212 W213 | R188-S210 VanDerWaalsContact O-CA 3.3Å; R188-S210 WeakPolarHBondContact O-CA 3.22Å; R188-S210 WeakPolarHBondContact O-CB 3.44Å; S210-N212 VanDerWaalsContact C-N 3.32Å; S210-N212 PolarHBondContact O-N 3.48Å; S210-W213 PolarHBondContact N-O 3.02Å; S210-W213 WeakPolarHBondContact OG-CA 3.47Å; S210-W213 VanDerWaalsContact OG-CB 3.23Å; S210-W213 WeakPolarHBondContact OG-CB 3.44Å; S210-W213 PolarHBondContact OG-N 3.5Å; S210-W213 PolarHBondContact OG-O 3.19Å |
| 211 | E | 87.3 | Confident | 87 | Confident | 119 Ų | 119 | 70.1 Ų | 70.1 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -59.6 | -43 | -179.3 | -67.9 | -179.6 | -175.5 | 0 | 0 | 112 | I190 | I190-E211 HydrophobicContact CD1-CG 4.07Å; I190-E211 HydrophobicContact CG1-CG 4.34Å |
| 212 | N | 88.8 | Confident | 85.7 | Confident | 117 Ų | 117 | 77.1 Ų | 77.1 | 63% | 0.626 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -116.4 | -7.2 | -176.2 | -53.1 | -47 | 0 | 0 | 0 | 114.3 | E187 S210 | E187-N212 WeakPolarHBondContact OE1-CB 3.32Å; E187-N212 PolarHBondContact OE1-ND2 3.47Å; E187-N212 PolarHBondContact OE2-N 2.73Å; S210-N212 VanDerWaalsContact C-N 3.32Å; S210-N212 PolarHBondContact O-N 3.48Å |
| 213 | W | 88.8 | Confident | 84.1 | Confident | 127 Ų | 127 | 81.2 Ų | 81.2 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | trans | -131.7 | 146.5 | -174.3 | -52.6 | 79.9 | 0 | 0 | 0 | 113.8 | L183 E187 S210 | L183-W213 HydrophobicContact CD2-CB 4.41Å; L183-W213 HydrophobicContact CD2-CD2 3.78Å; L183-W213 HydrophobicContact CD2-CE3 4.27Å; L183-W213 HydrophobicContact CD2-CG 3.81Å; E187-W213 PolarHBondContact OE1-NE1 3.36Å; S210-W213 PolarHBondContact N-O 3.02Å; S210-W213 WeakPolarHBondContact OG-CA 3.47Å; S210-W213 VanDerWaalsContact OG-CB 3.23Å; S210-W213 WeakPolarHBondContact OG-CB 3.44Å; S210-W213 PolarHBondContact OG-N 3.5Å; S210-W213 PolarHBondContact OG-O 3.19Å | ||
| 214 | I | 90.6 | Very high | 81.7 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 56% | 0.564 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 115.2 | 170 | -57.9 | 175.1 | 0 | 0 | 0 | 107.5 | L207 | L207-I214 HydrophobicContact CD1-CG2 3.56Å; L207-I214 HydrophobicContact CG-CG2 4.24Å |
| 215 | C | 89.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 90.8 Ų | 90.8 | 10% | 0.095 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.5 | -173.5 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | F176 F180 Y208 | F176-C215 HydrophobicContact CE2-CB 4.3Å; F180-C215 HydrophobicContact CD1-CB 4.19Å; F180-C215 HydrophobicContact CD2-CB 4.34Å; F180-C215 HydrophobicContact CE1-CB 3.64Å; F180-C215 HydrophobicContact CE2-CB 3.81Å; F180-C215 HydrophobicContact CZ-CB 3.42Å; F180-C215 VanDerWaalsContact CZ-CB 3.42Å; Y208-C215 PolarHBondContact N-O 3.28Å; Y208-C215 PolarHBondContact O-N 3.31Å |
| 216 | F | 90.6 | Very high | 80.5 | Confident | 43 Ų | 43 | 95.2 Ų | 95.2 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.4 | 175.4 | -178.7 | -103.7 | 0 | 0 | 0 | 110.3 | L197 L203 L207 | L197-F216 HydrophobicContact CB-CD1 4.3Å; L197-F216 HydrophobicContact CB-CE1 3.72Å; L197-F216 HydrophobicContact CB-CE2 4.13Å; L197-F216 HydrophobicContact CB-CZ 3.64Å; L197-F216 HydrophobicContact CD2-CD1 4Å; L197-F216 HydrophobicContact CD2-CE1 4.07Å; L203-F216 HydrophobicContact CB-CE1 4.26Å; L203-F216 WeakPolarHBondContact O-CZ 3.41Å; L207-F216 HydrophobicContact CB-CD2 4.42Å; L207-F216 HydrophobicContact CD1-CB 4.07Å; L207-F216 HydrophobicContact CD1-CD2 4.29Å |
| 217 | Y | 89.3 | Confident | 79.9 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 35% | 0.349 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.5 | 174.2 | -179.4 | -101.4 | 0 | 0 | 0 | 109.6 | L179 G205 R206 N219 | L179-Y217 HydrophobicContact CD1-CG 4.43Å; L179-Y217 HydrophobicContact CD2-CD2 4.02Å; L179-Y217 HydrophobicContact CD2-CE1 4.26Å; L179-Y217 HydrophobicContact CD2-CE2 3.7Å; L179-Y217 HydrophobicContact CD2-CG 4.45Å; G205-Y217 CarbonylContact C-O 3.57Å; G205-Y217 WeakPolarHBondContact CA-O 3.23Å; R206-Y217 PolarHBondContact N-O 2.87Å; R206-Y217 PolarHBondContact O-N 3.44Å; Y217-N219 WeakPolarHBondContact CE1-OD1 3.32Å |
| 218 | S | 89.1 | Confident | 79.1 | Confident | 27 Ų | 27 | 97.4 Ų | 97.4 | 19% | 0.189 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.2 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | Q204 I220 | Q204-S218 PolarHBondContact O-OG 3.28Å; S218-I220 PolarHBondContact OG-N 3.2Å |
| 219 | N | 76.2 | Confident | 78.2 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -85.2 | -18.3 | 177.6 | -89.3 | 35.8 | 0 | 0 | 0 | 113.6 | Q204 Y217 | Q204-N219 PolarHBondContact O-N 3.22Å; Y217-N219 WeakPolarHBondContact CE1-OD1 3.32Å |
| 220 | I | 71.2 | Confident | 77.3 | Confident | 91 Ų | 91 | 106.1 Ų | 106.1 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -102.2 | -12.2 | -164.9 | -22.3 | -177.1 | 0 | 0 | 0 | 113.3 | Q204 S218 | Q204-I220 HydrophobicContact CB-CD1 3.61Å; Q204-I220 HydrophobicContact CB-CG1 4.03Å; S218-I220 PolarHBondContact OG-N 3.2Å |
| 221 | F | 60 | Low | 76.4 | Confident | 45 Ų | 45 | 113.1 Ų | 113.1 | 20% | 0.197 | 51% | 0.511 | C | S | . | . | trans | -124.8 | 66.6 | -164.7 | -69.6 | -52.9 | 0 | 0 | 0 | 112.3 | I201 L203 W223 | I201-F221 HydrophobicContact CD1-CE1 3.73Å; I201-F221 HydrophobicContact CD1-CE2 4.17Å; I201-F221 HydrophobicContact CD1-CZ 3.22Å; I201-F221 HydrophobicContact CG1-CE2 4.32Å; I201-F221 HydrophobicContact CG1-CZ 3.83Å; L203-F221 HydrophobicContact CB-CD2 3.93Å; L203-F221 HydrophobicContact CB-CE2 3.89Å; L203-F221 HydrophobicContact CD1-CD2 4.2Å; L203-F221 HydrophobicContact CD2-CD2 3.39Å; L203-F221 HydrophobicContact CD2-CE2 3.01Å; L203-F221 HydrophobicContact CD2-CG 4.44Å; L203-F221 HydrophobicContact CD2-CZ 3.77Å; L203-F221 HydrophobicContact CG-CD2 4Å; L203-F221 HydrophobicContact CG-CE2 3.93Å; F221-W223 HydrophobicContact CB-CD2 4.02Å; F221-W223 HydrophobicContact CB-CH2 4.26Å; F221-W223 HydrophobicContact CB-CZ2 3.53Å; F221-W223 AromaticContact CD1-CD2 3.94Å; F221-W223 HydrophobicContact CD1-CD2 3.94Å; F221-W223 AromaticContact CD1-CE2 3.57Å; F221-W223 AromaticContact CD1-CE3 3.71Å; F221-W223 HydrophobicContact CD1-CE3 3.71Å; F221-W223 AromaticContact CD1-CH2 2.82Å; F221-W223 HydrophobicContact CD1-CH2 2.82Å; F221-W223 AromaticContact CD1-CZ2 3.01Å; F221-W223 HydrophobicContact CD1-CZ2 3.01Å; F221-W223 AromaticContact CD1-CZ3 3.17Å; F221-W223 HydrophobicContact CD1-CZ3 3.17Å; F221-W223 HydrophobicContact CD2-CH2 4.36Å; F221-W223 AromaticContact CD2-CZ2 3.99Å; F221-W223 HydrophobicContact CD2-CZ2 3.99Å; F221-W223 HydrophobicContact CE1-CE3 4.42Å; F221-W223 AromaticContact CE1-CH2 3.06Å; F221-W223 HydrophobicContact CE1-CH2 3.06Å; F221-W223 AromaticContact CE1-CZ2 3.68Å; F221-W223 HydrophobicContact CE1-CZ2 3.68Å; F221-W223 AromaticContact CE1-CZ3 3.48Å; F221-W223 HydrophobicContact CE1-CZ3 3.48Å; F221-W223 VanDerWaalsContact CE1-CZ3 3.48Å; F221-W223 HydrophobicContact CG-CD2 4.32Å; F221-W223 AromaticContact CG-CE2 3.61Å; F221-W223 AromaticContact CG-CH2 3.55Å; F221-W223 HydrophobicContact CG-CH2 3.55Å; F221-W223 AromaticContact CG-CZ2 3.17Å; F221-W223 HydrophobicContact CG-CZ2 3.17Å; F221-W223 HydrophobicContact CG-CZ3 4.19Å; F221-W223 HydrophobicContact CZ-CH2 4.01Å; F221-W223 HydrophobicContact CZ-CZ2 4.43Å; F221-W223 PolarHBondContact O-N 2.79Å | ||
| 222 | R | 56.9 | Low | 75.5 | Confident | 236 Ų | 236 | 112.6 Ų | 112.6 | 89% | 0.891 | 51% | 0.507 | S | S | * | . | trans | -82.1 | 79.6 | 156.6 | -61 | -179 | 66.8 | 134.6 | 2.9 | 106.7 | E224 | R222-E224 PolarHBondContact O-N 3.03Š| ||
| 223 | W | 51.6 | Low | 74.4 | Confident | 189 Ų | 189 | 112.3 Ų | 112.3 | 72% | 0.716 | 50% | 0.497 | S | S | * | . | trans | -76.6 | 111.4 | 164.4 | -20.8 | 94.9 | 0 | 0 | 0 | 106 | F221 | F221-W223 HydrophobicContact CB-CD2 4.02Å; F221-W223 HydrophobicContact CB-CH2 4.26Å; F221-W223 HydrophobicContact CB-CZ2 3.53Å; F221-W223 AromaticContact CD1-CD2 3.94Å; F221-W223 HydrophobicContact CD1-CD2 3.94Å; F221-W223 AromaticContact CD1-CE2 3.57Å; F221-W223 AromaticContact CD1-CE3 3.71Å; F221-W223 HydrophobicContact CD1-CE3 3.71Å; F221-W223 AromaticContact CD1-CH2 2.82Å; F221-W223 HydrophobicContact CD1-CH2 2.82Å; F221-W223 AromaticContact CD1-CZ2 3.01Å; F221-W223 HydrophobicContact CD1-CZ2 3.01Å; F221-W223 AromaticContact CD1-CZ3 3.17Å; F221-W223 HydrophobicContact CD1-CZ3 3.17Å; F221-W223 HydrophobicContact CD2-CH2 4.36Å; F221-W223 AromaticContact CD2-CZ2 3.99Å; F221-W223 HydrophobicContact CD2-CZ2 3.99Å; F221-W223 HydrophobicContact CE1-CE3 4.42Å; F221-W223 AromaticContact CE1-CH2 3.06Å; F221-W223 HydrophobicContact CE1-CH2 3.06Å; F221-W223 AromaticContact CE1-CZ2 3.68Å; F221-W223 HydrophobicContact CE1-CZ2 3.68Å; F221-W223 AromaticContact CE1-CZ3 3.48Å; F221-W223 HydrophobicContact CE1-CZ3 3.48Å; F221-W223 VanDerWaalsContact CE1-CZ3 3.48Å; F221-W223 HydrophobicContact CG-CD2 4.32Å; F221-W223 AromaticContact CG-CE2 3.61Å; F221-W223 AromaticContact CG-CH2 3.55Å; F221-W223 HydrophobicContact CG-CH2 3.55Å; F221-W223 AromaticContact CG-CZ2 3.17Å; F221-W223 HydrophobicContact CG-CZ2 3.17Å; F221-W223 HydrophobicContact CG-CZ3 4.19Å; F221-W223 HydrophobicContact CZ-CH2 4.01Å; F221-W223 HydrophobicContact CZ-CZ2 4.43Å; F221-W223 PolarHBondContact O-N 2.79Å | ||
| 224 | E | 38.7 | Very low | 73.1 | Confident | 264 Ų | 264 | 110.9 Ų | 110.9 | 100% | 1.234 | 50% | 0.499 | S | S | * | . | trans | -70 | 0 | 157.4 | -171 | 179.3 | 166.2 | 0 | 0 | 109.2 | R222 | R222-E224 PolarHBondContact O-N 3.03Š|
Retrieved 224 of 224 residues in 278.1 ms
(Link to these results)