| 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 | 50.9 | Low | 45.7 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 100% | 1.217 | 82% | 0.823 | S | S | * | * | 0 | 102.6 | 0 | -162.7 | 145.2 | 104.5 | 0 | 0 | 107.3 | |||||
| 2 | V | 45.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 170.9 | 172.2 | -114.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | P | 54.6 | Low | 45.1 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | -131.1 | -158.4 | -64.3 | 27.6 | -4.8 | 0 | 0 | 0 | 110.7 | |||||
| 4 | V | 46.1 | Very low | 44.5 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 55% | 0.552 | 81% | 0.807 | S | S | * | * | trans | 101.8 | 97.6 | 147 | -166.9 | 0 | 0 | 0 | 0 | 117.2 | T6 | V4-T6 HydrophobicContact CG1-CG2 3.72Š| ||
| 5 | F | 47.2 | Very low | 44 | Very low | 223 Ų | 223 | 140.5 Ų | 140.5 | 98% | 0.978 | 80% | 0.803 | S | S | * | * | -114.9 | 104.8 | 125.4 | -80.8 | -80.2 | 0 | 0 | 0 | 107.3 | |||||
| 6 | T | 50.8 | Low | 43.5 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -68.2 | 141.9 | 176.5 | 28 | 0 | 0 | 0 | 0 | 111.3 | V4 | V4-T6 HydrophobicContact CG1-CG2 3.72Š| ||
| 7 | S | 43.8 | Very low | 42.7 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 169.4 | -177.3 | 165.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 8 | S | 38.3 | Very low | 42.6 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 100.6 | 109.4 | 153.9 | 82.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 9 | A | 37.4 | Very low | 42.7 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | 93.8 | 106.4 | 62.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 10 | L | 41.8 | Very low | 42.4 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 29.2 | 147 | 142.4 | -60 | -175.6 | 0 | 0 | 0 | 120 | ||||
| 11 | P | 46 | Very low | 42.1 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | -150.5 | 171.1 | 50.4 | 39.6 | -17.3 | 0 | 0 | 0 | 119.4 | |||||
| 12 | V | 44.3 | Very low | 41.6 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 62% | 0.618 | 78% | 0.775 | S | S | * | * | trans | -49 | 139.3 | 164.9 | 173.5 | 0 | 0 | 0 | 0 | 113.6 | D14 | V12-D14 WeakPolarHBondContact CG1-OD2 3.21Š| ||
| 13 | K | 40 | Very low | 40.9 | Very low | 213 Ų | 213 | 140.4 Ų | 140.4 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | -140.3 | 103.6 | 137.1 | -74.9 | -155.6 | 175.3 | -171.6 | 0 | 109.6 | ||||
| 14 | D | 37 | Very low | 40.3 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -73.3 | 168.7 | 159.7 | -69 | -60.2 | 0 | 0 | 0 | 111.1 | V12 | V12-D14 WeakPolarHBondContact CG1-OD2 3.21Š| ||
| 15 | V | 36.6 | Very low | 39.7 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | 96.2 | 117.2 | 150.9 | -171.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 16 | E | 35.3 | Very low | 39.5 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 127.3 | 89.4 | 128.9 | -120.3 | 172 | 144.4 | 0 | 0 | 111.7 | |||||
| 17 | D | 31.2 | Very low | 38.9 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | 70.8 | 134.1 | 75.6 | -144.7 | -1.3 | 0 | 0 | 0 | 113.8 | |||||
| 18 | K | 40 | Very low | 38.7 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 61% | 0.609 | 77% | 0.774 | S | S | * | * | trans | -79.5 | 160.4 | -169.8 | -171.3 | 179.2 | 146.7 | -157.2 | 0 | 109.8 | E20 | K18-E20 IonicContact NZ-OE1 2.96Å; K18-E20 PolarHBondContact NZ-OE1 3.48Å | ||
| 19 | P | 43.8 | Very low | 38.6 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | -144.7 | 127.7 | 109 | 28.7 | -10.2 | 0 | 0 | 0 | 111.4 | |||||
| 20 | E | 36.8 | Very low | 39 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 46.7 | 91.2 | 83.4 | -121.7 | 169 | -119.5 | 0 | 0 | 113.7 | K18 | K18-E20 IonicContact NZ-OE1 2.96Å; K18-E20 PolarHBondContact NZ-OE1 3.48Å | |||
| 21 | Q | 36.8 | Very low | 39 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -112.1 | 98 | 166.7 | -161.5 | 169.3 | 27.4 | 0 | 0 | 109.6 | ||||
| 22 | Q | 40.1 | Very low | 39.1 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -94.6 | 127.9 | 164.2 | -168.6 | -177.6 | 30.9 | 0 | 0 | 107.7 | ||||
| 23 | T | 31.6 | Very low | 38.8 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | 166.8 | 132.9 | 156.8 | 37.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 24 | R | 40.8 | Very low | 39.3 | Very low | 208 Ų | 208 | 148.1 Ų | 148.1 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -166.3 | 138.6 | 36.3 | -137.4 | 172.2 | -178.1 | 176.4 | 1.3 | 107.9 | ||||
| 25 | T | 35.1 | Very low | 39.7 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -54.9 | 130.9 | 158.3 | 33.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 26 | R | 42.9 | Very low | 40.5 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -134.2 | 91.3 | 154.8 | -84.6 | -73.5 | 179.3 | 173.5 | -2.2 | 107.1 | ||||
| 27 | E | 38.3 | Very low | 41.2 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | trans | -67.5 | 129.5 | 156.2 | -58 | -161.5 | 165.5 | 0 | 0 | 107.8 | ||||
| 28 | T | 39.4 | Very low | 42.1 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -138.9 | 95.9 | 156.6 | -59.3 | 0 | 0 | 0 | 0 | 106.3 | K30 | T28-K30 PolarHBondContact O-N 3.42Š| ||
| 29 | D | 35.1 | Very low | 43 | Very low | 144 Ų | 144 | 152.1 Ų | 152.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 114 | 165.5 | -170.4 | 6.1 | 0 | 0 | 0 | 109.2 | ||||
| 30 | K | 46.4 | Very low | 43.6 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -147.8 | 111.5 | 152.3 | -72.4 | -150 | 176.6 | -161.8 | 0 | 108.6 | T28 | T28-K30 PolarHBondContact O-N 3.42Š| ||
| 31 | S | 41.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -80.8 | -174.5 | 174.4 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 32 | P | 48.1 | Very low | 46 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | -108.9 | 155.5 | -96.4 | 33.7 | -17.7 | 0 | 0 | 0 | 112.3 | |||||
| 33 | T | 38.5 | Very low | 47.3 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -138.7 | 107.9 | 162.1 | -66.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 34 | S | 49.3 | Very low | 48.5 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -56.5 | 143.5 | 169.3 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | E36 | S34-E36 PolarHBondContact OG-N 3.33Š| ||
| 35 | P | 45.9 | Very low | 49 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | -123.8 | 123.3 | 122.3 | 33.6 | -28 | 0 | 0 | 0 | 111.2 | |||||
| 36 | E | 52.7 | Low | 50.1 | Low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | -32.6 | 136.4 | 167.7 | -170.2 | 169.2 | -176.6 | 0 | 0 | 114.9 | S34 R38 | S34-E36 PolarHBondContact OG-N 3.33Å; E36-R38 PolarHBondContact O-N 2.69Å | ||
| 37 | P | 50 | Low | 50.9 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -71.1 | 101.1 | 169.1 | 28.1 | -29.5 | 0 | 0 | 0 | 108.7 | Q39 | P37-Q39 PolarHBondContact O-N 3.16Å; P37-Q39 VanDerWaalsContact O-N 3.07Å | ||
| 38 | R | 51.4 | Low | 51.2 | Low | 221 Ų | 221 | 139.1 Ų | 139.1 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -51.7 | 116.9 | 170.8 | -67.1 | -176.4 | -170.8 | -176 | 2.7 | 109 | E36 Q40 | E36-R38 PolarHBondContact O-N 2.69Å; R38-Q40 PolarHBondContact O-N 2.75Å | ||
| 39 | Q | 58.3 | Low | 52 | Low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 113 | 165.7 | -67.8 | -164.6 | -0.1 | 0 | 0 | 108.1 | P37 P41 | P37-Q39 PolarHBondContact O-N 3.16Å; P37-Q39 VanDerWaalsContact O-N 3.07Å; Q39-P41 VanDerWaalsContact O-CD 3.26Å; Q39-P41 WeakPolarHBondContact O-CD 3.46Å | ||
| 40 | Q | 56.8 | Low | 53.3 | Low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 114.1 | 169.3 | -68.9 | -73.5 | -21.1 | 0 | 0 | 107.2 | R38 S42 | R38-Q40 PolarHBondContact O-N 2.75Å; Q40-S42 PolarHBondContact O-N 3.31Å; Q40-S42 VanDerWaalsContact O-N 3.16Å | ||
| 41 | P | 55.1 | Low | 54 | Low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -67.6 | 113.8 | 167.3 | 26.3 | -29.7 | 0 | 0 | 0 | 107.9 | Q39 A43 | Q39-P41 VanDerWaalsContact O-CD 3.26Å; Q39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-A43 PolarHBondContact O-N 3.14Å; P41-A43 VanDerWaalsContact O-N 3.07Å | ||
| 42 | S | 68.1 | Low | 54.5 | Low | 121 Ų | 121 | 145.8 Ų | 145.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -57.7 | 113.5 | 176.8 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | Q40 | Q40-S42 PolarHBondContact O-N 3.31Å; Q40-S42 VanDerWaalsContact O-N 3.16Å | ||
| 43 | A | 67.7 | Low | 55 | Low | 80 Ų | 80 | 146.8 Ų | 146.8 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | -71.2 | 158.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | P41 | P41-A43 PolarHBondContact O-N 3.14Å; P41-A43 VanDerWaalsContact O-N 3.07Å | ||
| 44 | L | 57.6 | Low | 55.6 | Low | 137 Ų | 137 | 149.5 Ų | 149.5 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | trans | 83.2 | 105.1 | 167 | -38.7 | 179.1 | 0 | 0 | 0 | 112.4 | ||||
| 45 | F | 51.3 | Low | 55.9 | Low | 185 Ų | 185 | 149.8 Ų | 149.8 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | cis | -150.7 | 110.4 | 42.2 | -66.7 | -86.8 | 0 | 0 | 0 | 111.8 | R47 | F45-R47 PolarHBondContact O-N 3.07Š| ||
| 46 | A | 58.1 | Low | 56.4 | Low | 109 Ų | 109 | 149.4 Ų | 149.4 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 107 | 147.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 47 | R | 58.6 | Low | 56.4 | Low | 216 Ų | 216 | 150.6 Ų | 150.6 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -154.5 | 93 | 162 | -157.3 | 165.6 | 175.6 | -108.2 | 5.8 | 113.1 | F45 | F45-R47 PolarHBondContact O-N 3.07Š| ||
| 48 | G | 45.2 | Very low | 56.5 | Low | 71 Ų | 71 | 153.9 Ų | 153.9 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | 66 | 104.3 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | R50 | G48-R50 PolarHBondContact O-N 3.04Å; G48-R50 VanDerWaalsContact O-N 3.14Å | |||
| 49 | N | 57.1 | Low | 56.5 | Low | 171 Ų | 171 | 148.1 Ų | 148.1 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -52.3 | 109.1 | 154 | -78.6 | -7.8 | 0 | 0 | 0 | 111 | ||||
| 50 | R | 60.6 | Low | 56.5 | Low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | -143.4 | 122 | 153.3 | -70.9 | -162.4 | -68.5 | -176.5 | 0.6 | 110.7 | G48 | G48-R50 PolarHBondContact O-N 3.04Å; G48-R50 VanDerWaalsContact O-N 3.14Å | ||
| 51 | K | 61.3 | Low | 56.3 | Low | 211 Ų | 211 | 141.8 Ų | 141.8 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -61 | 135.1 | 177.1 | -56.9 | -71.1 | -177 | 175 | 0 | 109.6 | ||||
| 52 | A | 52 | Low | 56.2 | Low | 99 Ų | 99 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -129.6 | 112.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108 | K54 | A52-K54 PolarHBondContact O-N 3.33Š| ||
| 53 | V | 58.8 | Low | 55.8 | Low | 134 Ų | 134 | 145.6 Ų | 145.6 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -58.8 | 125.3 | 170.6 | 173.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 54 | K | 52.4 | Low | 55.3 | Low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -174.6 | 106.2 | 145.3 | -95.5 | 145.9 | -170.9 | -168.7 | 0 | 106.8 | A52 P56 | A52-K54 PolarHBondContact O-N 3.33Å; K54-P56 WeakPolarHBondContact O-CD 3.18Å | ||
| 55 | S | 54.7 | Low | 55.5 | Low | 105 Ų | 105 | 149.8 Ų | 149.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -73.4 | 114.9 | 166.8 | 165.9 | 0 | 0 | 0 | 0 | 108.1 | Q57 | S55-Q57 PolarHBondContact O-N 3.09Å; S55-Q57 PolarHBondContact OG-N 3.22Å | ||
| 56 | P | 55.7 | Low | 56.1 | Low | 114 Ų | 114 | 149.5 Ų | 149.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -83.7 | 95.6 | 154.6 | -1.1 | 23.6 | 0 | 0 | 0 | 104.3 | K54 R58 | K54-P56 WeakPolarHBondContact O-CD 3.18Å; P56-R58 PolarHBondContact O-N 3.14Å | ||
| 57 | Q | 53.8 | Low | 56.7 | Low | 184 Ų | 184 | 150.3 Ų | 150.3 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -57.7 | 84.1 | 160.6 | -177 | 172.1 | -63.2 | 0 | 0 | 106.9 | S55 S59 | S55-Q57 PolarHBondContact O-N 3.09Å; S55-Q57 PolarHBondContact OG-N 3.22Å; Q57-S59 PolarHBondContact O-N 2.87Å; Q57-S59 VanDerWaalsContact O-N 3.16Å | ||
| 58 | R | 52.3 | Low | 57.5 | Low | 189 Ų | 189 | 145 Ų | 145 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -77.5 | 103.7 | 178.9 | -163.3 | 174.1 | -171.1 | 170.4 | 1.5 | 105.4 | P56 S60 | P56-R58 PolarHBondContact O-N 3.14Å; R58-S60 PolarHBondContact O-N 3.15Å | ||
| 59 | S | 51.6 | Low | 58.9 | Low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -33.1 | 111.5 | 173.3 | 48 | 0 | 0 | 0 | 0 | 111.4 | Q57 S61 | Q57-S59 PolarHBondContact O-N 2.87Å; Q57-S59 VanDerWaalsContact O-N 3.16Å; S59-S61 PolarHBondContact O-N 2.89Å | ||
| 60 | S | 56.9 | Low | 59.4 | Low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -75.9 | 85.4 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | R58 | R58-S60 PolarHBondContact O-N 3.15Š| ||
| 61 | S | 52.8 | Low | 59.7 | Low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | trans | -105 | 84.6 | 160.6 | 61.8 | 0 | 0 | 0 | 0 | 109.2 | S59 | S59-S61 PolarHBondContact O-N 2.89Š| ||
| 62 | K | 54.2 | Low | 60 | Low | 204 Ų | 204 | 131.8 Ų | 131.8 | 89% | 0.887 | 70% | 0.704 | S | S | * | * | trans | 59.5 | 57.2 | 153.1 | -49.1 | -174.1 | -174.4 | -179.3 | 0 | 116.9 | ||||
| 63 | I | 58.6 | Low | 60.8 | Low | 114 Ų | 114 | 135.9 Ų | 135.9 | 59% | 0.585 | 70% | 0.7 | S | S | * | * | trans | -101.7 | 75.2 | 155.6 | -62.9 | 173.2 | 0 | 0 | 0 | 106.2 | E65 | I63-E65 HydrophobicContact CG2-CB 3.72Å; I63-E65 HydrophobicContact CG2-CG 3.56Å; I63-E65 PolarHBondContact O-N 2.72Å | ||
| 64 | K | 57.8 | Low | 61.2 | Low | 212 Ų | 212 | 131.4 Ų | 131.4 | 92% | 0.922 | 68% | 0.681 | S | S | * | * | trans | -81.1 | 53.2 | 163.9 | -154.9 | -176.4 | -174.7 | -173.8 | 0 | 107.7 | ||||
| 65 | E | 62.4 | Low | 61.6 | Low | 92 Ų | 92 | 135.3 Ų | 135.3 | 43% | 0.43 | 69% | 0.691 | S | S | . | * | trans | -87.9 | 113.9 | 171 | -65.5 | -177.3 | -146.1 | 0 | 0 | 105.2 | I63 K67 | I63-E65 HydrophobicContact CG2-CB 3.72Å; I63-E65 HydrophobicContact CG2-CG 3.56Å; I63-E65 PolarHBondContact O-N 2.72Å; E65-K67 HydrophobicContact CB-CB 4.23Å; E65-K67 HydrophobicContact CB-CD 4.03Å; E65-K67 HydrophobicContact CB-CG 3.99Å; E65-K67 PolarHBondContact O-N 3.24Å; E65-K67 VanDerWaalsContact OE2-CD 3.26Å; E65-K67 WeakPolarHBondContact OE2-CD 3.32Å; E65-K67 WeakPolarHBondContact OE2-CE 3.48Å; E65-K67 IonicContact OE2-NZ 2.69Å; E65-K67 PolarHBondContact OE2-NZ 3.42Å | ||
| 66 | N | 63.7 | Low | 62 | Low | 179 Ų | 179 | 133.4 Ų | 133.4 | 96% | 0.957 | 69% | 0.688 | S | S | * | * | trans | -69.3 | 62 | 172 | -160.8 | -39.7 | 0 | 0 | 0 | 108.7 | ||||
| 67 | K | 69.8 | Low | 62.3 | Low | 127 Ų | 127 | 134.6 Ų | 134.6 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | trans | -123.2 | 136.8 | -176.4 | -71.9 | -174.5 | -171.4 | 169.7 | 0 | 106.2 | E65 A71 | E65-K67 HydrophobicContact CB-CB 4.23Å; E65-K67 HydrophobicContact CB-CD 4.03Å; E65-K67 HydrophobicContact CB-CG 3.99Å; E65-K67 PolarHBondContact O-N 3.24Å; E65-K67 VanDerWaalsContact OE2-CD 3.26Å; E65-K67 WeakPolarHBondContact OE2-CD 3.32Å; E65-K67 WeakPolarHBondContact OE2-CE 3.48Å; E65-K67 IonicContact OE2-NZ 2.69Å; E65-K67 PolarHBondContact OE2-NZ 3.42Å; K67-A71 HydrophobicContact CB-CB 4.21Å | ||
| 68 | H | 75.8 | Confident | 62.8 | Low | 103 Ų | 103 | 135.4 Ų | 135.4 | 48% | 0.477 | 68% | 0.684 | S | S | . | * | trans | -54.6 | 141.2 | 176.8 | -162.3 | -72.1 | 0 | 0 | 0 | 109.4 | F70 A71 | H68-F70 HydrophobicContact CB-CD2 3.9Å; H68-F70 HydrophobicContact CB-CE1 4.37Å; H68-F70 HydrophobicContact CB-CE2 3.54Å; H68-F70 HydrophobicContact CB-CG 4.4Å; H68-F70 HydrophobicContact CB-CZ 3.78Å; H68-F70 AromaticContact CD2-CE1 3.65Å; H68-F70 AromaticContact CD2-CZ 3.5Å; H68-F70 AromaticContact CE1-CD1 3.07Å; H68-F70 WeakPolarHBondContact CE1-CD1 3.44Å; H68-F70 AromaticContact CE1-CE1 2.88Å; H68-F70 WeakPolarHBondContact CE1-CE1 3.07Å; H68-F70 AromaticContact CE1-CG 3.9Å; H68-F70 AromaticContact CE1-CZ 3.56Å; H68-F70 AromaticContact CG-CD1 3.78Å; H68-F70 AromaticContact CG-CD2 3.87Å; H68-F70 AromaticContact CG-CE1 3.4Å; H68-F70 AromaticContact CG-CE2 3.46Å; H68-F70 VanDerWaalsContact CG-CE2 3.46Å; H68-F70 AromaticContact CG-CG 3.98Å; H68-F70 AromaticContact CG-CZ 3.18Å; H68-F70 AromaticContact ND1-CD1 2.85Å; H68-F70 WeakPolarHBondContact ND1-CD1 3.26Å; H68-F70 AromaticContact ND1-CD2 3.57Å; H68-F70 AromaticContact ND1-CE1 2.88Å; H68-F70 WeakPolarHBondContact ND1-CE1 3.37Å; H68-F70 AromaticContact ND1-CE2 3.56Å; H68-F70 AromaticContact ND1-CG 3.19Å; H68-F70 WeakPolarHBondContact ND1-CG 3.19Å; H68-F70 AromaticContact ND1-CZ 3.21Å; H68-F70 WeakPolarHBondContact ND1-CZ 3.33Å; H68-F70 PolarHBondContact ND1-N 3.26Å; H68-F70 AromaticContact NE2-CD1 4Å; H68-F70 AromaticContact NE2-CE1 3.35Å; H68-F70 VanDerWaalsContact NE2-CE1 3.35Å; H68-F70 WeakPolarHBondContact NE2-CE1 2.85Å; H68-F70 AromaticContact NE2-CZ 3.72Å; H68-F70 PolarHBondContact O-N 3.42Å; H68-A71 HydrophobicContact CB-CB 4.33Å; H68-A71 WeakPolarHBondContact O-CA 3.39Å; H68-A71 VanDerWaalsContact O-CB 3.26Å; H68-A71 WeakPolarHBondContact O-CB 3.26Å; H68-A71 PolarHBondContact O-N 2.78Å | ||
| 69 | P | 74.4 | Confident | 63.2 | Low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -22.1 | -179.4 | 16.2 | -32.1 | 0 | 0 | 0 | 115.2 | ||
| 70 | F | 66.9 | Low | 63.7 | Low | 146 Ų | 146 | 132.3 Ų | 132.3 | 64% | 0.64 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -17.1 | 172.2 | 55.8 | -126.8 | 0 | 0 | 0 | 114.3 | H68 L72 Y73 | H68-F70 HydrophobicContact CB-CD2 3.9Å; H68-F70 HydrophobicContact CB-CE1 4.37Å; H68-F70 HydrophobicContact CB-CE2 3.54Å; H68-F70 HydrophobicContact CB-CG 4.4Å; H68-F70 HydrophobicContact CB-CZ 3.78Å; H68-F70 AromaticContact CD2-CE1 3.65Å; H68-F70 AromaticContact CD2-CZ 3.5Å; H68-F70 AromaticContact CE1-CD1 3.07Å; H68-F70 WeakPolarHBondContact CE1-CD1 3.44Å; H68-F70 AromaticContact CE1-CE1 2.88Å; H68-F70 WeakPolarHBondContact CE1-CE1 3.07Å; H68-F70 AromaticContact CE1-CG 3.9Å; H68-F70 AromaticContact CE1-CZ 3.56Å; H68-F70 AromaticContact CG-CD1 3.78Å; H68-F70 AromaticContact CG-CD2 3.87Å; H68-F70 AromaticContact CG-CE1 3.4Å; H68-F70 AromaticContact CG-CE2 3.46Å; H68-F70 VanDerWaalsContact CG-CE2 3.46Å; H68-F70 AromaticContact CG-CG 3.98Å; H68-F70 AromaticContact CG-CZ 3.18Å; H68-F70 AromaticContact ND1-CD1 2.85Å; H68-F70 WeakPolarHBondContact ND1-CD1 3.26Å; H68-F70 AromaticContact ND1-CD2 3.57Å; H68-F70 AromaticContact ND1-CE1 2.88Å; H68-F70 WeakPolarHBondContact ND1-CE1 3.37Å; H68-F70 AromaticContact ND1-CE2 3.56Å; H68-F70 AromaticContact ND1-CG 3.19Å; H68-F70 WeakPolarHBondContact ND1-CG 3.19Å; H68-F70 AromaticContact ND1-CZ 3.21Å; H68-F70 WeakPolarHBondContact ND1-CZ 3.33Å; H68-F70 PolarHBondContact ND1-N 3.26Å; H68-F70 AromaticContact NE2-CD1 4Å; H68-F70 AromaticContact NE2-CE1 3.35Å; H68-F70 VanDerWaalsContact NE2-CE1 3.35Å; H68-F70 WeakPolarHBondContact NE2-CE1 2.85Å; H68-F70 AromaticContact NE2-CZ 3.72Å; H68-F70 PolarHBondContact O-N 3.42Å; F70-L72 VanDerWaalsContact C-N 3.29Å; F70-L72 PolarHBondContact O-N 2.94Å; F70-Y73 PolarHBondContact O-N 3.07Å |
| 71 | A | 68.6 | Low | 63.9 | Low | 42 Ų | 42 | 131 Ų | 131 | 35% | 0.347 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -78.5 | -15.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K67 H68 Y73 G74 | K67-A71 HydrophobicContact CB-CB 4.21Å; H68-A71 HydrophobicContact CB-CB 4.33Å; H68-A71 WeakPolarHBondContact O-CA 3.39Å; H68-A71 VanDerWaalsContact O-CB 3.26Å; H68-A71 WeakPolarHBondContact O-CB 3.26Å; H68-A71 PolarHBondContact O-N 2.78Å; A71-Y73 PolarHBondContact O-N 3.39Å; A71-G74 PolarHBondContact O-N 3.37Å; A71-G74 VanDerWaalsContact O-N 3.09Å |
| 72 | L | 67.4 | Low | 64.7 | Low | 100 Ų | 100 | 131.4 Ų | 131.4 | 52% | 0.524 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -59.3 | -29.8 | 169.4 | -173.9 | 66.5 | 0 | 0 | 0 | 111.9 | F70 | F70-L72 VanDerWaalsContact C-N 3.29Å; F70-L72 PolarHBondContact O-N 2.94Å |
| 73 | Y | 68.8 | Low | 65.2 | Low | 185 Ų | 185 | 125.3 Ų | 125.3 | 73% | 0.725 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -109.8 | 20.1 | 176.1 | -66.4 | -87.1 | 0 | 0 | 0 | 112 | F70 A71 | F70-Y73 PolarHBondContact O-N 3.07Å; A71-Y73 PolarHBondContact O-N 3.39Å |
| 74 | G | 66.1 | Low | 65.5 | Low | 41 Ų | 41 | 123.5 Ų | 123.5 | 42% | 0.423 | 65% | 0.649 | S | S | . | * | trans | -61.4 | 140.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A71 G76 | A71-G74 PolarHBondContact O-N 3.37Å; A71-G74 VanDerWaalsContact O-N 3.09Å; G74-G76 PolarHBondContact O-N 3.31Å | ||
| 75 | W | 61.8 | Low | 66.4 | Low | 275 Ų | 275 | 120.5 Ų | 120.5 | 100% | 1.042 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -66 | 38.9 | -180 | -147.7 | -8 | 0 | 0 | 0 | 113.9 | ||
| 76 | G | 63.2 | Low | 66.8 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | trans | -120.9 | 28.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G74 K78 | G74-G76 PolarHBondContact O-N 3.31Å; G76-K78 PolarHBondContact O-N 3.5Å | ||
| 77 | E | 60.7 | Low | 67.4 | Low | 140 Ų | 140 | 120.2 Ų | 120.2 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | trans | -57.2 | 122.9 | 172 | -175.1 | 168.4 | -161.5 | 0 | 0 | 109.1 | Q79 | E77-Q79 HydrophobicContact CG-CB 4.14Å; E77-Q79 PolarHBondContact O-N 3.13Å | ||
| 78 | K | 65.5 | Low | 67.7 | Low | 200 Ų | 200 | 122.4 Ų | 122.4 | 87% | 0.87 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -67.1 | -15.2 | -177.9 | -63.8 | -170.4 | 179.2 | -174.8 | 0 | 112.8 | G76 T80 | G76-K78 PolarHBondContact O-N 3.5Å; K78-T80 PolarHBondContact O-N 3.4Å |
| 79 | Q | 60.5 | Low | 67.3 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | trans | -91.8 | 85.4 | 177 | -65 | -63.1 | -15.9 | 0 | 0 | 109.7 | E77 D81 | E77-Q79 HydrophobicContact CG-CB 4.14Å; E77-Q79 PolarHBondContact O-N 3.13Å; Q79-D81 PolarHBondContact O-N 3.29Å; Q79-D81 VanDerWaalsContact O-N 3.13Å | ||
| 80 | T | 61.2 | Low | 66.7 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 68% | 0.681 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 6.2 | 168.1 | 26.5 | 0 | 0 | 0 | 0 | 113.5 | K78 T82 G83 S84 | K78-T80 PolarHBondContact O-N 3.4Å; T80-T82 VanDerWaalsContact C-N 3.26Å; T80-T82 PolarHBondContact O-N 3.38Å; T80-G83 PolarHBondContact O-N 3.07Å; T80-S84 PolarHBondContact O-N 3.16Å |
| 81 | D | 62 | Low | 66.6 | Low | 94 Ų | 94 | 121.1 Ų | 121.1 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -69.7 | -22.8 | -173.9 | -83 | -19.6 | 0 | 0 | 0 | 113.7 | Q79 G83 S84 Q85 | Q79-D81 PolarHBondContact O-N 3.29Å; Q79-D81 VanDerWaalsContact O-N 3.13Å; D81-G83 PolarHBondContact O-N 3.07Å; D81-S84 WeakPolarHBondContact CA-OG 3.17Å; D81-S84 PolarHBondContact O-N 3Å; D81-S84 VanDerWaalsContact O-N 3.09Å; D81-S84 PolarHBondContact O-OG 3.14Å; D81-S84 PolarHBondContact OD1-OG 3.5Å; D81-S84 VanDerWaalsContact OD1-OG 3.07Å; D81-Q85 WeakPolarHBondContact O-CG 3.33Å; D81-Q85 PolarHBondContact O-N 2.95Å; D81-Q85 VanDerWaalsContact O-N 3.14Å |
| 82 | T | 69.6 | Low | 66.1 | Low | 106 Ų | 106 | 122.1 Ų | 122.1 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -59.5 | -31.5 | 174.9 | -47.7 | 0 | 0 | 0 | 0 | 112.7 | T80 | T80-T82 VanDerWaalsContact C-N 3.26Å; T80-T82 PolarHBondContact O-N 3.38Å |
| 83 | G | 64.3 | Low | 66 | Low | 76 Ų | 76 | 122.8 Ų | 122.8 | 78% | 0.784 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -97.1 | -8.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T80 D81 | T80-G83 PolarHBondContact O-N 3.07Å; D81-G83 PolarHBondContact O-N 3.07Å |
| 84 | S | 66.1 | Low | 66.1 | Low | 77 Ų | 77 | 115.8 Ų | 115.8 | 54% | 0.538 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -93.2 | -11.2 | 177.1 | 82 | 0 | 0 | 0 | 0 | 112.5 | T80 D81 K86 | T80-S84 PolarHBondContact O-N 3.16Å; D81-S84 WeakPolarHBondContact CA-OG 3.17Å; D81-S84 PolarHBondContact O-N 3Å; D81-S84 VanDerWaalsContact O-N 3.09Å; D81-S84 PolarHBondContact O-OG 3.14Å; D81-S84 PolarHBondContact OD1-OG 3.5Å; D81-S84 VanDerWaalsContact OD1-OG 3.07Å; S84-K86 PolarHBondContact O-N 2.74Å |
| 85 | Q | 75.5 | Confident | 66.6 | Low | 148 Ų | 148 | 115.9 Ų | 115.9 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -51.3 | 126 | 173.6 | -71.2 | -168.2 | -7.1 | 0 | 0 | 110.2 | D81 T87 | D81-Q85 WeakPolarHBondContact O-CG 3.33Å; D81-Q85 PolarHBondContact O-N 2.95Å; D81-Q85 VanDerWaalsContact O-N 3.14Å; Q85-T87 PolarHBondContact O-N 2.7Å |
| 86 | K | 71.7 | Confident | 67.3 | Low | 182 Ų | 182 | 107.6 Ų | 107.6 | 79% | 0.791 | 63% | 0.629 | S | S | * | * | trans | -66.4 | 97.9 | -179 | -176 | 167.5 | 176.5 | -179.8 | 0 | 108.3 | S84 | S84-K86 PolarHBondContact O-N 2.74Š| ||
| 87 | T | 76.6 | Confident | 68.1 | Low | 83 Ų | 83 | 112.2 Ų | 112.2 | 51% | 0.509 | 63% | 0.633 | S | S | . | * | trans | -62.9 | 150.6 | 168.2 | 64.8 | 0 | 0 | 0 | 0 | 108 | Q85 N89 | Q85-T87 PolarHBondContact O-N 2.7Å; T87-N89 VanDerWaalsContact C-N 3.25Å; T87-N89 PolarHBondContact O-N 3.06Å; T87-N89 PolarHBondContact OG1-ND2 3.09Å; T87-N89 PolarHBondContact OG1-OD1 2.74Å | ||
| 88 | H | 74.6 | Confident | 69.3 | Low | 174 Ų | 174 | 112.1 Ų | 112.1 | 81% | 0.806 | 63% | 0.632 | S | S | * | * | trans | -53.8 | 98.9 | 164.6 | 136.4 | -78.9 | 0 | 0 | 0 | 106.4 | ||||
| 89 | N | 67.4 | Low | 70.3 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | trans | -129.6 | 125.7 | 175.9 | -70.4 | -28.8 | 0 | 0 | 0 | 105 | T87 C91 A92 | T87-N89 VanDerWaalsContact C-N 3.25Å; T87-N89 PolarHBondContact O-N 3.06Å; T87-N89 PolarHBondContact OG1-ND2 3.09Å; T87-N89 PolarHBondContact OG1-OD1 2.74Å; N89-C91 PolarHBondContact O-N 3.24Å; N89-A92 PolarHBondContact O-N 3.2Å | ||
| 90 | V | 62.6 | Low | 71.8 | Confident | 114 Ų | 114 | 105.7 Ų | 105.7 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -55.7 | -4.2 | -164.7 | 179.9 | 0 | 0 | 0 | 0 | 115.5 | A92 | V90-A92 VanDerWaalsContact C-N 3.27Å; V90-A92 PolarHBondContact O-N 2.69Å |
| 91 | C | 64.7 | Low | 73.2 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -80.6 | 5.2 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 115.1 | N89 | N89-C91 PolarHBondContact O-N 3.24Š|
| 92 | A | 57.9 | Low | 74.8 | Confident | 63 Ų | 63 | 104.7 Ų | 104.7 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -86.5 | -16.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | N89 V90 | N89-A92 PolarHBondContact O-N 3.2Å; V90-A92 VanDerWaalsContact C-N 3.27Å; V90-A92 PolarHBondContact O-N 2.69Å |
| 93 | S | 65 | Low | 75.7 | Confident | 114 Ų | 114 | 102 Ų | 102 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | -19.1 | -169.1 | -49.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 94 | A | 71.6 | Confident | 76.8 | Confident | 38 Ų | 38 | 100.9 Ų | 100.9 | 31% | 0.314 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -79.3 | 127.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I99 | A94-I99 HydrophobicContact CB-CG1 4.38Š|
| 95 | P | 76.8 | Confident | 78.1 | Confident | 44 Ų | 44 | 104.4 Ų | 104.4 | 29% | 0.286 | 56% | 0.563 | S | S | . | * | trans | -69.5 | 151.8 | 178.2 | 30.9 | -35.7 | 0 | 0 | 0 | 111.3 | H97 E98 I99 | P95-H97 WeakPolarHBondContact CB-CE1 3.45Å; P95-H97 WeakPolarHBondContact CG-NE2 3.35Å; P95-H97 PolarHBondContact O-N 3.34Å; P95-E98 VanDerWaalsContact CD-CD 3.5Å; P95-E98 WeakPolarHBondContact CD-OE2 3.47Å; P95-E98 HydrophobicContact CG-CB 4.15Å; P95-E98 HydrophobicContact CG-CG 3.76Å; P95-E98 WeakPolarHBondContact CG-OE1 3.47Å; P95-E98 PolarHBondContact O-N 3.42Å; P95-I99 PolarHBondContact O-N 3.01Å | ||
| 96 | V | 76.1 | Confident | 79 | Confident | 100 Ų | 100 | 98.4 Ų | 98.4 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.3 | -171.3 | 178.7 | 0 | 0 | 0 | 0 | 113.2 | E98 I99 L104 | V96-E98 VanDerWaalsContact C-N 3.34Å; V96-I99 PolarHBondContact O-N 3.23Å; V96-L104 HydrophobicContact CG1-CD1 4.05Å; V96-L104 HydrophobicContact CG1-CD2 4.37Å |
| 97 | H | 80.5 | Confident | 79.9 | Confident | 162 Ų | 162 | 96 Ų | 96 | 75% | 0.75 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -19.4 | 179.1 | 54.8 | -96.3 | 0 | 0 | 0 | 113.9 | P95 | P95-H97 WeakPolarHBondContact CB-CE1 3.45Å; P95-H97 WeakPolarHBondContact CG-NE2 3.35Å; P95-H97 PolarHBondContact O-N 3.34Å |
| 98 | E | 85.7 | Confident | 80.7 | Confident | 138 Ų | 138 | 96.4 Ų | 96.4 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.3 | 170.8 | -69.6 | 174.2 | -152.7 | 0 | 0 | 111.9 | P95 V96 | P95-E98 VanDerWaalsContact CD-CD 3.5Å; P95-E98 WeakPolarHBondContact CD-OE2 3.47Å; P95-E98 HydrophobicContact CG-CB 4.15Å; P95-E98 HydrophobicContact CG-CG 3.76Å; P95-E98 WeakPolarHBondContact CG-OE1 3.47Å; P95-E98 PolarHBondContact O-N 3.42Å; V96-E98 VanDerWaalsContact C-N 3.34Å |
| 99 | I | 85.9 | Confident | 81.6 | Confident | 43 Ų | 43 | 96 Ų | 96 | 22% | 0.221 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -85.3 | 118.8 | 177.8 | -57.2 | 174.3 | 0 | 0 | 0 | 108.9 | A94 P95 V96 A103 L104 | A94-I99 HydrophobicContact CB-CG1 4.38Å; P95-I99 PolarHBondContact O-N 3.01Å; V96-I99 PolarHBondContact O-N 3.23Å; I99-A103 HydrophobicContact CG2-CB 3.87Å; I99-L104 HydrophobicContact CB-CD2 4.26Å; I99-L104 HydrophobicContact CB-CG 4.49Å; I99-L104 HydrophobicContact CG2-CD2 3.78Å; I99-L104 HydrophobicContact CG2-CG 3.93Å |
| 100 | H | 91.5 | Very high | 82.8 | Confident | 138 Ų | 138 | 99.6 Ų | 99.6 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | trans | -60.1 | 143.5 | 177.3 | -164.4 | 64.6 | 0 | 0 | 0 | 112.4 | S102 A103 L104 | H100-S102 VanDerWaalsContact C-N 3.26Å; H100-S102 PolarHBondContact CD2-OG 3.05Å; H100-S102 PolarHBondContact O-N 3.44Å; H100-S102 VanDerWaalsContact O-N 3.14Å; H100-A103 WeakPolarHBondContact O-CB 2.88Å; H100-A103 PolarHBondContact O-N 2.97Å; H100-L104 PolarHBondContact O-N 3.32Å | ||
| 101 | E | 91.8 | Very high | 84.3 | Confident | 120 Ų | 120 | 98 Ų | 98 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.3 | -36.2 | -172.2 | -61.4 | -171.5 | 166.8 | 0 | 0 | 114 | A103 L104 R105 | E101-A103 PolarHBondContact O-N 3.44Å; E101-L104 WeakPolarHBondContact O-CB 3.26Å; E101-L104 PolarHBondContact O-N 3.44Å; E101-L104 VanDerWaalsContact O-N 3.16Å; E101-R105 WeakPolarHBondContact O-CG 3.35Å; E101-R105 PolarHBondContact O-N 3.36Å; E101-R105 IonicContact OE2-CZ 3.03Å; E101-R105 IonicContact OE2-NH1 2.7Å; E101-R105 PolarHBondContact OE2-NH1 2.9Å; E101-R105 IonicContact OE2-NH2 3.68Å |
| 102 | S | 94.1 | Very high | 85.7 | Confident | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -34.3 | -179.8 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | H100 R105 A106 | H100-S102 VanDerWaalsContact C-N 3.26Å; H100-S102 PolarHBondContact CD2-OG 3.05Å; H100-S102 PolarHBondContact O-N 3.44Å; H100-S102 VanDerWaalsContact O-N 3.14Å; S102-R105 PolarHBondContact O-N 2.92Å; S102-A106 WeakPolarHBondContact O-CB 3.21Å; S102-A106 PolarHBondContact O-N 3.47Å |
| 103 | A | 88.8 | Confident | 87.3 | Confident | 49 Ų | 49 | 98.5 Ų | 98.5 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I99 H100 E101 A106 K107 | I99-A103 HydrophobicContact CG2-CB 3.87Å; H100-A103 WeakPolarHBondContact O-CB 2.88Å; H100-A103 PolarHBondContact O-N 2.97Å; E101-A103 PolarHBondContact O-N 3.44Å; A103-A106 PolarHBondContact O-N 2.9Å; A103-K107 WeakPolarHBondContact O-CB 2.88Å; A103-K107 PolarHBondContact O-N 3.06Å |
| 104 | L | 88.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 28% | 0.283 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.7 | -63.4 | 177.8 | 0 | 0 | 0 | 111.3 | V96 I99 H100 E101 A106 K107 N108 | V96-L104 HydrophobicContact CG1-CD1 4.05Å; V96-L104 HydrophobicContact CG1-CD2 4.37Å; I99-L104 HydrophobicContact CB-CD2 4.26Å; I99-L104 HydrophobicContact CB-CG 4.49Å; I99-L104 HydrophobicContact CG2-CD2 3.78Å; I99-L104 HydrophobicContact CG2-CG 3.93Å; H100-L104 PolarHBondContact O-N 3.32Å; E101-L104 WeakPolarHBondContact O-CB 3.26Å; E101-L104 PolarHBondContact O-N 3.44Å; E101-L104 VanDerWaalsContact O-N 3.16Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 3.16Å; L104-K107 PolarHBondContact O-N 3.07Å; L104-N108 PolarHBondContact O-N 3.42Å |
| 105 | R | 93.4 | Very high | 89.7 | Confident | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -43.3 | 175.4 | -70.8 | -167.1 | -75.2 | -95.1 | 3.1 | 111.8 | E101 S102 N108 R109 | E101-R105 WeakPolarHBondContact O-CG 3.35Å; E101-R105 PolarHBondContact O-N 3.36Å; E101-R105 IonicContact OE2-CZ 3.03Å; E101-R105 IonicContact OE2-NH1 2.7Å; E101-R105 PolarHBondContact OE2-NH1 2.9Å; E101-R105 IonicContact OE2-NH2 3.68Å; S102-R105 PolarHBondContact O-N 2.92Å; R105-N108 PolarHBondContact O-N 2.91Å; R105-R109 PolarHBondContact O-N 3.4Å |
| 106 | A | 92.8 | Very high | 90.5 | Very high | 22 Ų | 22 | 112.3 Ų | 112.3 | 18% | 0.182 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S102 A103 L104 R109 R110 | S102-A106 WeakPolarHBondContact O-CB 3.21Å; S102-A106 PolarHBondContact O-N 3.47Å; A103-A106 PolarHBondContact O-N 2.9Å; L104-A106 VanDerWaalsContact C-N 3.35Å; L104-A106 PolarHBondContact O-N 3.16Å; A106-R109 PolarHBondContact O-N 3.34Å; A106-R110 WeakPolarHBondContact O-CG 3.38Å; A106-R110 PolarHBondContact O-N 2.79Å |
| 107 | K | 90.8 | Very high | 91.1 | Very high | 131 Ų | 131 | 112.7 Ų | 112.7 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.5 | -50.4 | 174.1 | 178.7 | -166.1 | 171.9 | -175.3 | 0 | 110.7 | A103 L104 R109 R110 Q111 | A103-K107 WeakPolarHBondContact O-CB 2.88Å; A103-K107 PolarHBondContact O-N 3.06Å; L104-K107 PolarHBondContact O-N 3.07Å; K107-R109 PolarHBondContact O-N 3.45Å; K107-R110 PolarHBondContact O-N 2.86Å; K107-Q111 PolarHBondContact O-N 3.24Å |
| 108 | N | 92.9 | Very high | 91.5 | Very high | 93 Ų | 93 | 108.4 Ų | 108.4 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | -179.3 | -73.9 | -10.8 | 0 | 0 | 0 | 111.3 | L104 R105 R110 Q111 V112 | L104-N108 PolarHBondContact O-N 3.42Å; R105-N108 PolarHBondContact O-N 2.91Å; N108-R110 PolarHBondContact O-N 3.46Å; N108-Q111 PolarHBondContact O-N 3.07Å; N108-V112 WeakPolarHBondContact O-CG2 3.4Å; N108-V112 PolarHBondContact O-N 3.44Å |
| 109 | R | 95.1 | Very high | 91.6 | Very high | 164 Ų | 164 | 104.2 Ų | 104.2 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.9 | -48.5 | 174.8 | -171.6 | 179.5 | 74.1 | -126.6 | 6.7 | 112.2 | R105 A106 K107 Q111 V112 E113 | R105-R109 PolarHBondContact O-N 3.4Å; A106-R109 PolarHBondContact O-N 3.34Å; K107-R109 PolarHBondContact O-N 3.45Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.22Å; R109-V112 PolarHBondContact O-N 3.48Å; R109-E113 PolarHBondContact O-N 3.34Å; R109-E113 VanDerWaalsContact O-N 3.07Å |
| 110 | R | 92.9 | Very high | 91.6 | Very high | 182 Ų | 182 | 108 Ų | 108 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | 179.1 | -71.6 | 172.8 | -179.7 | 176.6 | 1.1 | 112.2 | A106 K107 N108 E113 K114 | A106-R110 WeakPolarHBondContact O-CG 3.38Å; A106-R110 PolarHBondContact O-N 2.79Å; K107-R110 PolarHBondContact O-N 2.86Å; N108-R110 PolarHBondContact O-N 3.46Å; R110-E113 PolarHBondContact O-N 3Å; R110-K114 WeakPolarHBondContact O-CB 3.4Å; R110-K114 PolarHBondContact O-N 3.06Å |
| 111 | Q | 92.7 | Very high | 91.2 | Very high | 81 Ų | 81 | 108.9 Ų | 108.9 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 179.2 | -172.6 | 173.2 | -0 | 0 | 0 | 112 | K107 N108 R109 K114 R115 | K107-Q111 PolarHBondContact O-N 3.24Å; N108-Q111 PolarHBondContact O-N 3.07Å; R109-Q111 VanDerWaalsContact C-N 3.34Å; R109-Q111 PolarHBondContact O-N 3.22Å; Q111-K114 PolarHBondContact O-N 2.9Å; Q111-R115 WeakPolarHBondContact O-CG 3.39Å; Q111-R115 PolarHBondContact O-N 2.99Å |
| 112 | V | 94.1 | Very high | 90.6 | Very high | 88 Ų | 88 | 109.2 Ų | 109.2 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 174.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | N108 R109 K114 R115 R116 | N108-V112 WeakPolarHBondContact O-CG2 3.4Å; N108-V112 PolarHBondContact O-N 3.44Å; R109-V112 PolarHBondContact O-N 3.48Å; V112-K114 VanDerWaalsContact C-N 3.33Å; V112-K114 PolarHBondContact O-N 3.04Å; V112-R115 PolarHBondContact O-N 3.21Å; V112-R115 VanDerWaalsContact O-N 3.15Å; V112-R116 PolarHBondContact O-N 3.41Å |
| 113 | E | 92.9 | Very high | 89.9 | Confident | 95 Ų | 95 | 114.6 Ų | 114.6 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.5 | -74.5 | -60.4 | 143.3 | 0 | 0 | 112.2 | R109 R110 R115 R116 L117 | R109-E113 PolarHBondContact O-N 3.34Å; R109-E113 VanDerWaalsContact O-N 3.07Å; R110-E113 PolarHBondContact O-N 3Å; E113-R115 PolarHBondContact O-N 3.04Å; E113-R116 WeakPolarHBondContact O-CB 3.5Å; E113-R116 PolarHBondContact O-N 3.36Å; E113-R116 IonicContact OE1-NH1 2.68Å; E113-L117 WeakPolarHBondContact O-CB 3.29Å; E113-L117 PolarHBondContact O-N 3.15Å |
| 114 | K | 93.5 | Very high | 89.1 | Confident | 155 Ų | 155 | 115 Ų | 115 | 67% | 0.674 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -46.2 | 173.8 | -175.3 | 177.4 | -179.8 | 177.7 | 0 | 111.5 | R110 Q111 V112 L117 V118 | R110-K114 WeakPolarHBondContact O-CB 3.4Å; R110-K114 PolarHBondContact O-N 3.06Å; Q111-K114 PolarHBondContact O-N 2.9Å; V112-K114 VanDerWaalsContact C-N 3.33Å; V112-K114 PolarHBondContact O-N 3.04Å; K114-L117 PolarHBondContact O-N 2.87Å; K114-V118 VanDerWaalsContact O-CG2 3.29Å; K114-V118 WeakPolarHBondContact O-CG2 3.36Å; K114-V118 PolarHBondContact O-N 2.73Å |
| 115 | R | 92.8 | Very high | 87.8 | Confident | 167 Ų | 167 | 117.1 Ų | 117.1 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 177 | -73 | 174.4 | 176.4 | 174 | -1 | 111.6 | Q111 V112 E113 V118 A119 | Q111-R115 WeakPolarHBondContact O-CG 3.39Å; Q111-R115 PolarHBondContact O-N 2.99Å; V112-R115 PolarHBondContact O-N 3.21Å; V112-R115 VanDerWaalsContact O-N 3.15Å; E113-R115 PolarHBondContact O-N 3.04Å; R115-V118 PolarHBondContact O-N 3.07Å; R115-A119 WeakPolarHBondContact O-CB 3.41Å; R115-A119 PolarHBondContact O-N 3.49Å |
| 116 | R | 93.1 | Very high | 86.1 | Confident | 164 Ų | 164 | 113.7 Ų | 113.7 | 62% | 0.619 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -45.9 | 177.2 | -175.6 | -176 | 179.8 | -176.6 | 1.7 | 111.7 | V112 E113 A119 Q120 | V112-R116 PolarHBondContact O-N 3.41Å; E113-R116 WeakPolarHBondContact O-CB 3.5Å; E113-R116 PolarHBondContact O-N 3.36Å; E113-R116 IonicContact OE1-NH1 2.68Å; R116-A119 PolarHBondContact O-N 3.03Å; R116-Q120 WeakPolarHBondContact O-CB 3.43Å; R116-Q120 PolarHBondContact O-N 3.48Å |
| 117 | L | 87.9 | Confident | 84.6 | Confident | 107 Ų | 107 | 116 Ų | 116 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.4 | -44.1 | 177.9 | -169 | 156.4 | 0 | 0 | 0 | 111.1 | E113 K114 A119 Q120 R121 | E113-L117 WeakPolarHBondContact O-CB 3.29Å; E113-L117 PolarHBondContact O-N 3.15Å; K114-L117 PolarHBondContact O-N 2.87Å; L117-A119 PolarHBondContact O-N 3.3Å; L117-Q120 PolarHBondContact O-N 3.48Å; L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 PolarHBondContact O-N 3.47Å |
| 118 | V | 88.9 | Confident | 83.1 | Confident | 73 Ų | 73 | 113.8 Ų | 113.8 | 44% | 0.442 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 174.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | K114 R115 Q120 R121 Q122 | K114-V118 VanDerWaalsContact O-CG2 3.29Å; K114-V118 WeakPolarHBondContact O-CG2 3.36Å; K114-V118 PolarHBondContact O-N 2.73Å; R115-V118 PolarHBondContact O-N 3.07Å; V118-Q120 VanDerWaalsContact C-N 3.34Å; V118-Q120 PolarHBondContact O-N 3.25Å; V118-R121 WeakPolarHBondContact O-CB 3.38Å; V118-R121 PolarHBondContact O-N 3.18Å; V118-Q122 WeakPolarHBondContact O-CG 3.43Å; V118-Q122 PolarHBondContact O-N 3.46Å |
| 119 | A | 88.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 113.1 Ų | 113.1 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R115 R116 L117 R123 | R115-A119 WeakPolarHBondContact O-CB 3.41Å; R115-A119 PolarHBondContact O-N 3.49Å; R116-A119 PolarHBondContact O-N 3.03Å; L117-A119 PolarHBondContact O-N 3.3Å; A119-R123 WeakPolarHBondContact O-CG 3.49Å; A119-R123 PolarHBondContact O-N 2.94Å; A119-R123 VanDerWaalsContact O-N 3.12Å |
| 120 | Q | 86.3 | Confident | 79.7 | Confident | 121 Ų | 121 | 109.7 Ų | 109.7 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 173.4 | -173.2 | -173.9 | 20.7 | 0 | 0 | 111.4 | R116 L117 V118 Q122 R123 A124 | R116-Q120 WeakPolarHBondContact O-CB 3.43Å; R116-Q120 PolarHBondContact O-N 3.48Å; L117-Q120 PolarHBondContact O-N 3.48Å; V118-Q120 VanDerWaalsContact C-N 3.34Å; V118-Q120 PolarHBondContact O-N 3.25Å; Q120-Q122 PolarHBondContact O-N 2.96Å; Q120-R123 PolarHBondContact O-N 3.44Å; Q120-A124 PolarHBondContact O-N 3.12Å |
| 121 | R | 83.6 | Confident | 78.1 | Confident | 157 Ų | 157 | 107.1 Ų | 107.1 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 177.8 | -170.2 | -179.9 | -166.2 | -160.8 | 4 | 111.4 | L117 V118 R123 A124 H125 | L117-R121 WeakPolarHBondContact O-CB 3.39Å; L117-R121 PolarHBondContact O-N 3.47Å; V118-R121 WeakPolarHBondContact O-CB 3.38Å; V118-R121 PolarHBondContact O-N 3.18Å; R121-R123 VanDerWaalsContact C-N 3.35Å; R121-R123 PolarHBondContact O-N 2.85Å; R121-A124 PolarHBondContact O-N 3.27Å; R121-H125 PolarHBondContact O-CD2 3.44Å; R121-H125 PolarHBondContact O-N 3.31Å |
| 122 | Q | 79.6 | Confident | 76.5 | Confident | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 177 | -67 | -62.9 | 1.5 | 0 | 0 | 112.4 | V118 Q120 H125 S126 | V118-Q122 WeakPolarHBondContact O-CG 3.43Å; V118-Q122 PolarHBondContact O-N 3.46Å; Q120-Q122 PolarHBondContact O-N 2.96Å; Q122-H125 PolarHBondContact O-N 2.9Å; Q122-S126 PolarHBondContact O-N 3.22Å |
| 123 | R | 79.3 | Confident | 74.9 | Confident | 176 Ų | 176 | 110.5 Ų | 110.5 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 174.7 | -73.1 | -171.2 | -67.4 | 162.8 | -1.7 | 112.4 | A119 Q120 R121 S126 V127 | A119-R123 WeakPolarHBondContact O-CG 3.49Å; A119-R123 PolarHBondContact O-N 2.94Å; A119-R123 VanDerWaalsContact O-N 3.12Å; Q120-R123 PolarHBondContact O-N 3.44Å; R121-R123 VanDerWaalsContact C-N 3.35Å; R121-R123 PolarHBondContact O-N 2.85Å; R123-S126 PolarHBondContact O-N 2.78Å; R123-V127 WeakPolarHBondContact O-CG2 3.42Å; R123-V127 PolarHBondContact O-N 2.77Å; R123-V127 VanDerWaalsContact O-N 3.12Å |
| 124 | A | 72 | Confident | 73.3 | Confident | 59 Ų | 59 | 113.4 Ų | 113.4 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q120 R121 V127 D128 | Q120-A124 PolarHBondContact O-N 3.12Å; R121-A124 PolarHBondContact O-N 3.27Å; A124-V127 PolarHBondContact O-N 3.11Å; A124-D128 WeakPolarHBondContact O-CB 3.32Å; A124-D128 PolarHBondContact O-N 3.06Å |
| 125 | H | 60.5 | Low | 71.7 | Confident | 97 Ų | 97 | 110.9 Ų | 110.9 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 176.9 | -75.6 | -61.9 | 0 | 0 | 0 | 112.8 | R121 Q122 D128 V129 | R121-H125 PolarHBondContact O-CD2 3.44Å; R121-H125 PolarHBondContact O-N 3.31Å; Q122-H125 PolarHBondContact O-N 2.9Å; H125-D128 PolarHBondContact O-N 3.4Å; H125-V129 WeakPolarHBondContact O-CG2 3.4Å; H125-V129 PolarHBondContact O-N 3.35Å; H125-V129 VanDerWaalsContact O-N 3.14Å |
| 126 | S | 59.2 | Low | 69.9 | Low | 78 Ų | 78 | 110.4 Ų | 110.4 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 112 | Q122 R123 D128 V129 E130 | Q122-S126 PolarHBondContact O-N 3.22Å; R123-S126 PolarHBondContact O-N 2.78Å; S126-D128 VanDerWaalsContact C-N 3.35Å; S126-D128 PolarHBondContact O-N 3.49Å; S126-V129 PolarHBondContact O-N 3.46Å; S126-E130 PolarHBondContact O-N 3.23Å |
| 127 | V | 61.1 | Low | 68.2 | Low | 72 Ų | 72 | 106.7 Ų | 106.7 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 178.3 | 169.1 | 0 | 0 | 0 | 0 | 112.2 | R123 A124 K131 | R123-V127 WeakPolarHBondContact O-CG2 3.42Å; R123-V127 PolarHBondContact O-N 2.77Å; R123-V127 VanDerWaalsContact O-N 3.12Å; A124-V127 PolarHBondContact O-N 3.11Å; V127-K131 HydrophobicContact CG1-CD 4.08Å; V127-K131 VanDerWaalsContact O-CG 3.29Å; V127-K131 WeakPolarHBondContact O-CG 3.44Å; V127-K131 PolarHBondContact O-N 3.14Å |
| 128 | D | 58.2 | Low | 66.7 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.9 | -37.9 | 179.6 | -165.1 | 26.3 | 0 | 0 | 0 | 112.3 | A124 H125 S126 E130 K131 N132 | A124-D128 WeakPolarHBondContact O-CB 3.32Å; A124-D128 PolarHBondContact O-N 3.06Å; H125-D128 PolarHBondContact O-N 3.4Å; S126-D128 VanDerWaalsContact C-N 3.35Å; S126-D128 PolarHBondContact O-N 3.49Å; D128-E130 VanDerWaalsContact C-N 3.3Å; D128-E130 PolarHBondContact O-N 3.45Å; D128-K131 PolarHBondContact O-N 2.9Å; D128-N132 WeakPolarHBondContact O-CB 3.48Å; D128-N132 PolarHBondContact O-N 3.45Å; D128-N132 PolarHBondContact O-ND2 3.36Å; D128-N132 PolarHBondContact OD1-ND2 3.12Å |
| 129 | V | 59 | Low | 65.2 | Low | 78 Ų | 78 | 105.9 Ų | 105.9 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 175.1 | 167.1 | 0 | 0 | 0 | 0 | 111.8 | H125 S126 N132 R133 | H125-V129 WeakPolarHBondContact O-CG2 3.4Å; H125-V129 PolarHBondContact O-N 3.35Å; H125-V129 VanDerWaalsContact O-N 3.14Å; S126-V129 PolarHBondContact O-N 3.46Å; V129-N132 PolarHBondContact O-N 3.42Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 3.43Å |
| 130 | E | 57.9 | Low | 63.7 | Low | 93 Ų | 93 | 109 Ų | 109 | 44% | 0.435 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.5 | -37 | 179.4 | -71.8 | -59.7 | 116.3 | 0 | 0 | 112.7 | S126 D128 R133 K134 | S126-E130 PolarHBondContact O-N 3.23Å; D128-E130 VanDerWaalsContact C-N 3.3Å; D128-E130 PolarHBondContact O-N 3.45Å; E130-R133 IonicContact OE1-NH1 3.71Å; E130-R133 PolarHBondContact OE1-NH1 2.88Å; E130-K134 PolarHBondContact O-N 3.28Å |
| 131 | K | 60.6 | Low | 63 | Low | 127 Ų | 127 | 108.1 Ų | 108.1 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.1 | -44.8 | 176 | -66.7 | 168.7 | 179 | 179.2 | 0 | 111.8 | V127 D128 R133 K134 V135 | V127-K131 HydrophobicContact CG1-CD 4.08Å; V127-K131 VanDerWaalsContact O-CG 3.29Å; V127-K131 WeakPolarHBondContact O-CG 3.44Å; V127-K131 PolarHBondContact O-N 3.14Å; D128-K131 PolarHBondContact O-N 2.9Å; K131-R133 VanDerWaalsContact C-N 3.3Å; K131-R133 PolarHBondContact O-N 3.47Å; K131-K134 PolarHBondContact O-N 3.16Å; K131-V135 WeakPolarHBondContact O-CG2 3.34Å; K131-V135 PolarHBondContact O-N 2.91Å |
| 132 | N | 58.5 | Low | 62.7 | Low | 71 Ų | 71 | 104.9 Ų | 104.9 | 38% | 0.38 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -33.7 | 178.5 | -80.1 | -77.4 | 0 | 0 | 0 | 112.5 | D128 V129 K136 | D128-N132 WeakPolarHBondContact O-CB 3.48Å; D128-N132 PolarHBondContact O-N 3.45Å; D128-N132 PolarHBondContact O-ND2 3.36Å; D128-N132 PolarHBondContact OD1-ND2 3.12Å; V129-N132 PolarHBondContact O-N 3.42Å; N132-K136 WeakPolarHBondContact O-CB 3.44Å; N132-K136 WeakPolarHBondContact O-CG 3.35Å; N132-K136 PolarHBondContact O-N 2.98Å; N132-K136 VanDerWaalsContact O-N 3.11Å |
| 133 | R | 60.4 | Low | 62.7 | Low | 170 Ų | 170 | 104.4 Ų | 104.4 | 64% | 0.642 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.6 | -43.2 | 172.7 | -82.4 | 178.7 | 170.3 | 174.3 | -5.8 | 112.2 | V129 E130 K131 A137 | V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 3.43Å; E130-R133 IonicContact OE1-NH1 3.71Å; E130-R133 PolarHBondContact OE1-NH1 2.88Å; K131-R133 VanDerWaalsContact C-N 3.3Å; K131-R133 PolarHBondContact O-N 3.47Å; R133-A137 PolarHBondContact O-N 3.2Å; R133-A137 VanDerWaalsContact O-N 3.17Å |
| 134 | K | 58.6 | Low | 62.8 | Low | 156 Ų | 156 | 106.6 Ų | 106.6 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.4 | -40.4 | 178.9 | -73.2 | 173 | 177.1 | -177.8 | 0 | 113 | E130 K131 A137 | E130-K134 PolarHBondContact O-N 3.28Å; K131-K134 PolarHBondContact O-N 3.16Å; K134-A137 PolarHBondContact O-N 2.89Å |
| 135 | V | 59.8 | Low | 63.5 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 61% | 0.612 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.6 | -34.9 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | K131 A137 S138 | K131-V135 WeakPolarHBondContact O-CG2 3.34Å; K131-V135 PolarHBondContact O-N 2.91Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-S138 PolarHBondContact O-N 3.17Å; V135-S138 PolarHBondContact O-OG 3.11Å |
| 136 | K | 55.3 | Low | 64.8 | Low | 157 Ų | 157 | 105.2 Ų | 105.2 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -69.5 | -30.5 | 173.5 | -76.5 | 174.4 | 177.6 | 177 | 0 | 112.9 | N132 S138 S139 | N132-K136 WeakPolarHBondContact O-CB 3.44Å; N132-K136 WeakPolarHBondContact O-CG 3.35Å; N132-K136 PolarHBondContact O-N 2.98Å; N132-K136 VanDerWaalsContact O-N 3.11Å; K136-S138 VanDerWaalsContact C-N 3.26Å; K136-S138 PolarHBondContact O-N 3.44Å; K136-S139 WeakPolarHBondContact O-CB 3.43Å; K136-S139 PolarHBondContact O-N 3.4Å |
| 137 | A | 56.8 | Low | 66 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.2 | -26 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R133 K134 V135 | R133-A137 PolarHBondContact O-N 3.2Å; R133-A137 VanDerWaalsContact O-N 3.17Å; K134-A137 PolarHBondContact O-N 2.89Å; V135-A137 VanDerWaalsContact C-N 3.34Å |
| 138 | S | 56.8 | Low | 67.4 | Low | 81 Ų | 81 | 111 Ų | 111 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -0.7 | 174 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | V135 K136 S140 | V135-S138 PolarHBondContact O-N 3.17Å; V135-S138 PolarHBondContact O-OG 3.11Å; K136-S138 VanDerWaalsContact C-N 3.26Å; K136-S138 PolarHBondContact O-N 3.44Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 VanDerWaalsContact O-N 3.11Å |
| 139 | S | 57.3 | Low | 69 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 57% | 0.573 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 40.5 | -176.8 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | K136 | K136-S139 WeakPolarHBondContact O-CB 3.43Å; K136-S139 PolarHBondContact O-N 3.4Å |
| 140 | S | 58.1 | Low | 70.3 | Confident | 116 Ų | 116 | 112.9 Ų | 112.9 | 81% | 0.811 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -7.4 | 162.5 | 60.3 | 0 | 0 | 0 | 0 | 112 | S138 N142 | S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 VanDerWaalsContact O-N 3.11Å; S140-N142 PolarHBondContact O-N 3.17Å; S140-N142 VanDerWaalsContact O-N 3.17Å |
| 141 | E | 71 | Confident | 71.7 | Confident | 102 Ų | 102 | 112 Ų | 112 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -68.8 | 109.9 | 173.4 | -160.8 | 66.7 | -137.3 | 0 | 0 | 109.3 | P143 R150 | E141-P143 WeakPolarHBondContact O-CD 3.42Å; E141-R150 WeakPolarHBondContact OE1-CD 3.41Å |
| 142 | N | 75.9 | Confident | 72.8 | Confident | 88 Ų | 88 | 111.9 Ų | 111.9 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | trans | -58 | 123.8 | 179.2 | 180 | -7.2 | 0 | 0 | 0 | 109.3 | S140 W144 M145 | S140-N142 PolarHBondContact O-N 3.17Å; S140-N142 VanDerWaalsContact O-N 3.17Å; N142-W144 PolarHBondContact O-N 3.03Å; N142-W144 PolarHBondContact OD1-N 3.19Å; N142-W144 VanDerWaalsContact OD1-N 3.16Å; N142-M145 HydrophobicContact CB-CB 4.41Å; N142-M145 HydrophobicContact CB-CG 3.88Å; N142-M145 WeakPolarHBondContact O-CB 3.29Å; N142-M145 PolarHBondContact O-N 3.31Å | ||
| 143 | P | 80 | Confident | 73.8 | Confident | 118 Ų | 118 | 112.5 Ų | 112.5 | 77% | 0.766 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -15.1 | -178.5 | -25.7 | 34 | 0 | 0 | 0 | 115.1 | E141 | E141-P143 WeakPolarHBondContact O-CD 3.42Š|
| 144 | W | 81.6 | Confident | 74.3 | Confident | 221 Ų | 221 | 108.8 Ų | 108.8 | 84% | 0.837 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 0.5 | 178.5 | -57.6 | 101.4 | 0 | 0 | 0 | 113.5 | N142 T146 | N142-W144 PolarHBondContact O-N 3.03Å; N142-W144 PolarHBondContact OD1-N 3.19Å; N142-W144 VanDerWaalsContact OD1-N 3.16Å; W144-T146 PolarHBondContact O-N 3.33Å |
| 145 | M | 86.3 | Confident | 74.8 | Confident | 53 Ų | 53 | 110.6 Ų | 110.6 | 26% | 0.261 | 59% | 0.587 | S | S | . | * | trans | -72.9 | 112.9 | 173.8 | -89 | -81.2 | -88.2 | 0 | 0 | 110.3 | N142 M149 R150 | N142-M145 HydrophobicContact CB-CB 4.41Å; N142-M145 HydrophobicContact CB-CG 3.88Å; N142-M145 WeakPolarHBondContact O-CB 3.29Å; N142-M145 PolarHBondContact O-N 3.31Å; M145-M149 HydrophobicContact CE-CB 4.42Å; M145-M149 HydrophobicContact SD-CB 3.52Å; M145-M149 VanDerWaalsContact SD-CB 3.52Å; M145-M149 HydrophobicContact SD-CE 3.85Å; M145-M149 HydrophobicContact SD-SD 4.35Å; M145-R150 HydrophobicContact CE-CB 4.44Å; M145-R150 HydrophobicContact CE-CG 3.59Å | ||
| 146 | T | 87.6 | Confident | 74.8 | Confident | 74 Ų | 74 | 113.6 Ų | 113.6 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | trans | -76.6 | 156.1 | 171.3 | 63 | 0 | 0 | 0 | 0 | 110.4 | W144 Y148 M149 R150 | W144-T146 PolarHBondContact O-N 3.33Å; T146-Y148 PolarHBondContact O-N 3.21Å; T146-M149 PolarHBondContact O-N 3.29Å; T146-M149 VanDerWaalsContact O-N 3.11Å; T146-M149 WeakPolarHBondContact OG1-CG 3.39Å; T146-M149 PolarHBondContact OG1-N 3.11Å; T146-R150 PolarHBondContact O-N 3.07Å; T146-R150 VanDerWaalsContact O-N 3.07Å | ||
| 147 | E | 85.7 | Confident | 75.8 | Confident | 112 Ų | 112 | 111.4 Ų | 111.4 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -52.1 | -38.7 | 171.7 | -168.6 | 69.9 | -125.6 | 0 | 0 | 111.5 | R150 C151 | E147-R150 WeakPolarHBondContact O-CB 3.23Å; E147-R150 PolarHBondContact O-N 3.26Å; E147-R150 IonicContact OE1-CZ 2.79Å; E147-R150 IonicContact OE1-NH1 3.47Å; E147-R150 PolarHBondContact OE1-NH1 3.38Å; E147-R150 IonicContact OE2-CZ 3.71Å; E147-R150 IonicContact OE2-NH1 2.73Å; E147-R150 PolarHBondContact OE2-NH1 3.18Å; E147-R150 IonicContact OE2-NH2 3.56Å; E147-R150 PolarHBondContact OE2-NH2 2.99Å; E147-C151 PolarHBondContact O-N 3.15Å; E147-C151 PolarHBondContact O-SG 2.7Å; E147-C151 VanDerWaalsContact O-SG 3.33Å |
| 148 | Y | 89.1 | Confident | 76.8 | Confident | 159 Ų | 159 | 112.7 Ų | 112.7 | 62% | 0.624 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.8 | -48 | 176.7 | -178.8 | -99.7 | 0 | 0 | 0 | 112.5 | T146 R150 C151 Y152 | T146-Y148 PolarHBondContact O-N 3.21Å; Y148-R150 VanDerWaalsContact C-N 3.27Å; Y148-R150 PolarHBondContact O-N 3.04Å; Y148-C151 PolarHBondContact O-N 3.33Å; Y148-Y152 AromaticContact CD2-CD2 3.77Å; Y148-Y152 HydrophobicContact CD2-CD2 3.77Å; Y148-Y152 AromaticContact CD2-CE2 3.95Å; Y148-Y152 HydrophobicContact CD2-CE2 3.95Å; Y148-Y152 AromaticContact CE2-CD2 3.61Å; Y148-Y152 HydrophobicContact CE2-CD2 3.61Å; Y148-Y152 AromaticContact CE2-CE2 3.71Å; Y148-Y152 HydrophobicContact CE2-CE2 3.71Å; Y148-Y152 HydrophobicContact CE2-CG 4.27Å; Y148-Y152 HydrophobicContact CG-CD2 4.41Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.41Å; Y148-Y152 PolarHBondContact O-N 2.68Å; Y148-Y152 VanDerWaalsContact O-N 3.13Å |
| 149 | M | 92.2 | Very high | 77.9 | Confident | 98 Ų | 98 | 114.4 Ų | 114.4 | 48% | 0.483 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.5 | -32.6 | 176.4 | -69.2 | 176.7 | 68 | 0 | 0 | 112.4 | M145 T146 S153 | M145-M149 HydrophobicContact CE-CB 4.42Å; M145-M149 HydrophobicContact SD-CB 3.52Å; M145-M149 VanDerWaalsContact SD-CB 3.52Å; M145-M149 HydrophobicContact SD-CE 3.85Å; M145-M149 HydrophobicContact SD-SD 4.35Å; T146-M149 PolarHBondContact O-N 3.29Å; T146-M149 VanDerWaalsContact O-N 3.11Å; T146-M149 WeakPolarHBondContact OG1-CG 3.39Å; T146-M149 PolarHBondContact OG1-N 3.11Å; M149-S153 VanDerWaalsContact O-CB 3.23Å; M149-S153 WeakPolarHBondContact O-CB 3.36Å; M149-S153 PolarHBondContact O-N 3.48Å; M149-S153 VanDerWaalsContact O-N 3.15Å; M149-S153 PolarHBondContact O-OG 3.13Å |
| 150 | R | 86.4 | Confident | 79.1 | Confident | 105 Ų | 105 | 116.4 Ų | 116.4 | 40% | 0.396 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.5 | -42.4 | 174.4 | -75.5 | -173.5 | -91.1 | 128 | -0.4 | 112 | E141 M145 T146 E147 Y148 | E141-R150 WeakPolarHBondContact OE1-CD 3.41Å; M145-R150 HydrophobicContact CE-CB 4.44Å; M145-R150 HydrophobicContact CE-CG 3.59Å; T146-R150 PolarHBondContact O-N 3.07Å; T146-R150 VanDerWaalsContact O-N 3.07Å; E147-R150 WeakPolarHBondContact O-CB 3.23Å; E147-R150 PolarHBondContact O-N 3.26Å; E147-R150 IonicContact OE1-CZ 2.79Å; E147-R150 IonicContact OE1-NH1 3.47Å; E147-R150 PolarHBondContact OE1-NH1 3.38Å; E147-R150 IonicContact OE2-CZ 3.71Å; E147-R150 IonicContact OE2-NH1 2.73Å; E147-R150 PolarHBondContact OE2-NH1 3.18Å; E147-R150 IonicContact OE2-NH2 3.56Å; E147-R150 PolarHBondContact OE2-NH2 2.99Å; Y148-R150 VanDerWaalsContact C-N 3.27Å; Y148-R150 PolarHBondContact O-N 3.04Å |
| 151 | C | 86.8 | Confident | 80.5 | Confident | 75 Ų | 75 | 116.4 Ų | 116.4 | 51% | 0.507 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -77.5 | -26.3 | -178.5 | -61.4 | 0 | 0 | 0 | 0 | 114.4 | E147 Y148 | E147-C151 PolarHBondContact O-N 3.15Å; E147-C151 PolarHBondContact O-SG 2.7Å; E147-C151 VanDerWaalsContact O-SG 3.33Å; Y148-C151 PolarHBondContact O-N 3.33Å |
| 152 | Y | 84.7 | Confident | 81.1 | Confident | 123 Ų | 123 | 117.3 Ų | 117.3 | 48% | 0.482 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -112.3 | -2.9 | -169.2 | -75.7 | -87.7 | 0 | 0 | 0 | 115.3 | Y148 A154 | Y148-Y152 AromaticContact CD2-CD2 3.77Å; Y148-Y152 HydrophobicContact CD2-CD2 3.77Å; Y148-Y152 AromaticContact CD2-CE2 3.95Å; Y148-Y152 HydrophobicContact CD2-CE2 3.95Å; Y148-Y152 AromaticContact CE2-CD2 3.61Å; Y148-Y152 HydrophobicContact CE2-CD2 3.61Å; Y148-Y152 AromaticContact CE2-CE2 3.71Å; Y148-Y152 HydrophobicContact CE2-CE2 3.71Å; Y148-Y152 HydrophobicContact CE2-CG 4.27Å; Y148-Y152 HydrophobicContact CG-CD2 4.41Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.41Å; Y148-Y152 PolarHBondContact O-N 2.68Å; Y148-Y152 VanDerWaalsContact O-N 3.13Å; Y152-A154 VanDerWaalsContact C-N 3.35Å; Y152-A154 PolarHBondContact O-N 2.96Å |
| 153 | S | 79.2 | Confident | 81.5 | Confident | 84 Ų | 84 | 119.4 Ų | 119.4 | 59% | 0.587 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -23.5 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | M149 | M149-S153 VanDerWaalsContact O-CB 3.23Å; M149-S153 WeakPolarHBondContact O-CB 3.36Å; M149-S153 PolarHBondContact O-N 3.48Å; M149-S153 VanDerWaalsContact O-N 3.15Å; M149-S153 PolarHBondContact O-OG 3.13Å |
| 154 | A | 70.8 | Confident | 81.6 | Confident | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 5.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y152 | Y152-A154 VanDerWaalsContact C-N 3.35Å; Y152-A154 PolarHBondContact O-N 2.96Å |
| 155 | R | 70.1 | Confident | 81.6 | Confident | 193 Ų | 193 | 111.1 Ų | 111.1 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | trans | -100.2 | 18.5 | -176.5 | -72.1 | 178 | 95.8 | -126.3 | 10.2 | 114.1 | ||||
| 156 | A | 60.1 | Low | 81.1 | Confident | 164 Ų | 164 | 116.4 Ų | 116.4 | 100% | 1.355 | 63% | 0.628 | S | S | * | * | trans | -92.9 | 0 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 156 of 156 residues in 31.4 ms
(Link to these results)