| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 45.4 | Very low | 247 Ų | 247 | 172.5 Ų | 172.5 | 100% | 1.217 | 88% | 0.884 | S | S | * | * | 0 | 113.7 | 0 | -78.8 | -66.5 | 149.6 | 0 | 0 | 108.3 | |||||
| 2 | A | 45.1 | Very low | 45.4 | Very low | 92 Ų | 92 | 167.8 Ų | 167.8 | 76% | 0.76 | 87% | 0.873 | S | S | * | * | trans | -108.8 | 142.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | P | 60.5 | Low | 44.8 | Very low | 128 Ų | 128 | 168.3 Ų | 168.3 | 83% | 0.831 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 132.8 | -176.9 | 31.7 | -30.8 | 0 | 0 | 0 | 111.7 | ||
| 4 | V | 51.6 | Low | 44.3 | Very low | 138 Ų | 138 | 161.1 Ų | 161.1 | 84% | 0.836 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 128.4 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | ||
| 5 | R | 47.3 | Very low | 43.9 | Very low | 240 Ų | 240 | 164.9 Ų | 164.9 | 91% | 0.906 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 130.8 | 174 | -65.4 | -172.9 | -176.6 | -138.5 | 1.5 | 110.1 | ||
| 6 | R | 48.3 | Very low | 43.5 | Very low | 250 Ų | 250 | 167.4 Ų | 167.4 | 94% | 0.943 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 131.7 | 172.2 | -71.3 | -175 | 174.4 | 179.1 | -1.4 | 110.5 | ||
| 7 | A | 43.7 | Very low | 43.3 | Very low | 94 Ų | 94 | 162.9 Ų | 162.9 | 78% | 0.777 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 135.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 8 | A | 44.8 | Very low | 43.1 | Very low | 92 Ų | 92 | 168.1 Ų | 168.1 | 76% | 0.76 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 127.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 9 | K | 41.8 | Very low | 42.6 | Very low | 206 Ų | 206 | 163.5 Ų | 163.5 | 90% | 0.896 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 129.5 | 173.3 | -62 | 178.2 | 179 | -176 | 0 | 108.5 | ||
| 10 | W | 38.3 | Very low | 42.5 | Very low | 243 Ų | 243 | 165.7 Ų | 165.7 | 92% | 0.92 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 131.3 | 164.7 | -71.5 | 88.8 | 0 | 0 | 0 | 108.4 | ||
| 11 | L | 35.5 | Very low | 42.4 | Very low | 168 Ų | 168 | 161.1 Ų | 161.1 | 88% | 0.88 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 140.2 | 166.2 | -86.9 | 157.8 | 0 | 0 | 0 | 108.5 | ||
| 12 | P | 46 | Very low | 42 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 75% | 0.753 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 133.1 | 167.5 | 35.3 | -24.4 | 0 | 0 | 0 | 110.3 | ||
| 13 | D | 37.1 | Very low | 41.9 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 93% | 0.93 | 85% | 0.851 | S | S | * | * | trans | -154.1 | 136.8 | 166.9 | -129.5 | 5.3 | 0 | 0 | 0 | 105.2 | ||||
| 14 | G | 38.4 | Very low | 40.9 | Very low | 68 Ų | 68 | 154.8 Ų | 154.8 | 70% | 0.701 | 85% | 0.847 | S | S | * | * | cis | -176.2 | 145.4 | 1.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 15 | F | 37.2 | Very low | 40.7 | Very low | 218 Ų | 218 | 155 Ų | 155 | 96% | 0.956 | 85% | 0.848 | S | S | * | * | trans | -80.4 | 127.4 | 174.5 | -110.1 | -101.1 | 0 | 0 | 0 | 109.1 | ||||
| 16 | E | 38.4 | Very low | 40.3 | Very low | 204 Ų | 204 | 152.1 Ų | 152.1 | 95% | 0.953 | 85% | 0.845 | S | S | * | * | trans | -144.7 | 149.2 | 155.5 | -80.8 | -160.7 | 160 | 0 | 0 | 112.1 | ||||
| 17 | A | 40.4 | Very low | 40.2 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | -112 | 152.8 | -159.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 18 | R | 39.4 | Very low | 40.3 | Very low | 256 Ų | 256 | 151.5 Ų | 151.5 | 97% | 0.966 | 84% | 0.838 | S | S | * | * | trans | 47.1 | 118.9 | 142.1 | -70.4 | -93.3 | -131.1 | -111.8 | -3.6 | 120.2 | ||||
| 19 | G | 33.9 | Very low | 40.6 | Very low | 81 Ų | 81 | 154.5 Ų | 154.5 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -154.5 | 138 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 20 | E | 40.8 | Very low | 41.4 | Very low | 207 Ų | 207 | 153.8 Ų | 153.8 | 97% | 0.967 | 84% | 0.838 | S | S | * | * | trans | -73.9 | 163 | -169.4 | -65.7 | 169.5 | 129.4 | 0 | 0 | 115.8 | ||||
| 21 | G | 38.8 | Very low | 42.5 | Very low | 70 Ų | 70 | 149.2 Ų | 149.2 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | 126.8 | 87.5 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 22 | V | 35.1 | Very low | 43.5 | Very low | 137 Ų | 137 | 147 Ų | 147 | 83% | 0.83 | 82% | 0.824 | S | S | * | * | trans | 56 | 129.3 | 134.5 | -162.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 23 | S | 41.9 | Very low | 44.3 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | 61.1 | 119.5 | 151.4 | 70.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 24 | A | 39.7 | Very low | 45.5 | Very low | 90 Ų | 90 | 150.6 Ų | 150.6 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | 170.3 | 128.3 | 86 | 0 | 0 | 0 | 0 | 0 | 108.9 | E26 | A24-E26 PolarHBondContact O-N 3.43Š| |||
| 25 | V | 48.4 | Very low | 46.7 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -70.3 | 115.1 | 167.5 | 167.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 26 | E | 38.8 | Very low | 48.1 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | 165.6 | 138.8 | 154.1 | -94.1 | 166.4 | -155.1 | 0 | 0 | 105.3 | A24 | A24-E26 PolarHBondContact O-N 3.43Š| ||
| 27 | S | 45.2 | Very low | 49.2 | Very low | 98 Ų | 98 | 153.8 Ų | 153.8 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | cis | -169 | 132.9 | 8.8 | 38.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 28 | R | 45.9 | Very low | 50.3 | Low | 233 Ų | 233 | 159 Ų | 159 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | 38.9 | 95.1 | 154.1 | -59.2 | -179.9 | -178.4 | -180 | 0.5 | 118.1 | K30 | R28-K30 PolarHBondContact O-N 3.48Š| ||
| 29 | N | 52.6 | Low | 51.2 | Low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -64.2 | 96.1 | 161.6 | -66.6 | -35.4 | 0 | 0 | 0 | 111.5 | N31 | N29-N31 PolarHBondContact O-N 3.14Å; N29-N31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | K | 58.6 | Low | 52.6 | Low | 190 Ų | 190 | 155.2 Ų | 155.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -81.8 | 68.1 | 163.5 | -64.4 | 179.9 | -175.4 | 174.5 | 0 | 109.7 | R28 | R28-K30 PolarHBondContact O-N 3.48Š| ||
| 31 | N | 60.7 | Low | 53.6 | Low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -141.1 | 46.3 | 172.2 | -75.6 | -49.8 | 0 | 0 | 0 | 111 | N29 K33 | N29-N31 PolarHBondContact O-N 3.14Å; N29-N31 VanDerWaalsContact O-N 3.14Å; N31-K33 PolarHBondContact O-N 3.44Å | ||
| 32 | V | 55.6 | Low | 54.7 | Low | 121 Ų | 121 | 155.4 Ų | 155.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -85.9 | 95.6 | 159.9 | -176.1 | 0 | 0 | 0 | 0 | 105.9 | Q34 | V32-Q34 PolarHBondContact O-N 3.08Š| ||
| 33 | K | 64 | Low | 56 | Low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -52.7 | 107.3 | 162.5 | -68.3 | -177.2 | 179.5 | -179 | 0 | 106.2 | N31 K35 | N31-K33 PolarHBondContact O-N 3.44Å; K33-K35 PolarHBondContact O-N 3.18Å | ||
| 34 | Q | 62.8 | Low | 57.1 | Low | 167 Ų | 167 | 156.3 Ų | 156.3 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -55.3 | 112.9 | 174.3 | -74.8 | -76.3 | -8 | 0 | 0 | 106.8 | V32 T36 | V32-Q34 PolarHBondContact O-N 3.08Å; Q34-T36 PolarHBondContact O-N 3.27Å | ||
| 35 | K | 63.2 | Low | 58 | Low | 190 Ų | 190 | 156.3 Ų | 156.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 102.7 | 178.1 | -170.5 | 170.3 | -176.4 | 175.6 | 0 | 106.3 | K33 W37 | K33-K35 PolarHBondContact O-N 3.18Å; K35-W37 PolarHBondContact O-N 3.5Å | ||
| 36 | T | 65.4 | Low | 58.7 | Low | 122 Ų | 122 | 154 Ų | 154 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -57.5 | 112.3 | 178.6 | -25.6 | 0 | 0 | 0 | 0 | 107 | Q34 R38 | Q34-T36 PolarHBondContact O-N 3.27Å; T36-R38 VanDerWaalsContact C-N 3.26Å; T36-R38 PolarHBondContact O-N 3.08Å | ||
| 37 | W | 61.3 | Low | 60 | Low | 246 Ų | 246 | 146.8 Ų | 146.8 | 93% | 0.932 | 74% | 0.742 | S | S | * | * | trans | -64.9 | 93 | 172.3 | -94.4 | 93 | 0 | 0 | 0 | 107.2 | K35 P39 | K35-W37 PolarHBondContact O-N 3.5Å; W37-P39 WeakPolarHBondContact O-CD 3.42Å | ||
| 38 | R | 64.4 | Low | 61.2 | Low | 200 Ų | 200 | 144.1 Ų | 144.1 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -69.9 | 125.5 | 162.3 | -66.9 | -166.9 | 180 | -111.6 | 0.8 | 105.9 | T36 N40 | T36-R38 VanDerWaalsContact C-N 3.26Å; T36-R38 PolarHBondContact O-N 3.08Å; R38-N40 PolarHBondContact O-N 2.82Å | ||
| 39 | P | 59.2 | Low | 62 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -64.2 | 97.1 | 162.4 | 12.2 | -3.4 | 0 | 0 | 0 | 105.6 | W37 H41 | W37-P39 WeakPolarHBondContact O-CD 3.42Å; P39-H41 PolarHBondContact O-N 3.01Å | ||
| 40 | N | 61.4 | Low | 62.7 | Low | 138 Ų | 138 | 142.9 Ų | 142.9 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -62 | 90.7 | 157.3 | -74.1 | -30.6 | 0 | 0 | 0 | 104 | R38 P42 | R38-N40 PolarHBondContact O-N 2.82Å; N40-P42 VanDerWaalsContact C-N 3.27Å; N40-P42 WeakPolarHBondContact O-CD 3.33Å | ||
| 41 | H | 62.5 | Low | 63.1 | Low | 165 Ų | 165 | 140 Ų | 140 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | trans | -45.5 | 99.1 | 156.6 | 50.5 | -30.9 | 0 | 0 | 0 | 106.9 | P39 Q43 | P39-H41 PolarHBondContact O-N 3.01Å; H41-Q43 PolarHBondContact O-N 2.86Å | ||
| 42 | P | 63 | Low | 63.4 | Low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | trans | -75.2 | 98.6 | 171.7 | 26.1 | -13.2 | 0 | 0 | 0 | 101.6 | N40 A44 | N40-P42 VanDerWaalsContact C-N 3.27Å; N40-P42 WeakPolarHBondContact O-CD 3.33Å; P42-A44 WeakPolarHBondContact O-CA 3.47Å; P42-A44 PolarHBondContact O-N 3.07Å | ||
| 43 | Q | 61.5 | Low | 64.1 | Low | 146 Ų | 146 | 134.6 Ų | 134.6 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | trans | -2.6 | 98 | 173.5 | -168.3 | 168.4 | -1.9 | 0 | 0 | 111 | H41 F45 | H41-Q43 PolarHBondContact O-N 2.86Å; Q43-F45 CarbonylContact O-C 3.43Å; Q43-F45 VanDerWaalsContact O-C 3.29Å; Q43-F45 PolarHBondContact O-N 3.18Å | ||
| 44 | A | 64.2 | Low | 64.9 | Low | 117 Ų | 117 | 125.6 Ų | 125.6 | 97% | 0.967 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -53.1 | -14.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P42 | P42-A44 WeakPolarHBondContact O-CA 3.47Å; P42-A44 PolarHBondContact O-N 3.07Å |
| 45 | F | 59.8 | Low | 65.8 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 40% | 0.395 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -113.4 | 112.2 | 172.6 | -171.4 | -105.3 | 0 | 0 | 0 | 111.1 | Q43 G47 V49 | Q43-F45 CarbonylContact O-C 3.43Å; Q43-F45 VanDerWaalsContact O-C 3.29Å; Q43-F45 PolarHBondContact O-N 3.18Å; F45-G47 WeakPolarHBondContact CD1-O 3.45Å; F45-G47 WeakPolarHBondContact CE1-O 3.38Å; F45-G47 PolarHBondContact O-N 2.84Å; F45-V49 HydrophobicContact CD1-CG2 3.87Å; F45-V49 HydrophobicContact CE1-CB 4.47Å; F45-V49 HydrophobicContact CE1-CG2 3.44Å; F45-V49 VanDerWaalsContact CE1-CG2 3.44Å; F45-V49 HydrophobicContact CZ-CG2 3.93Å |
| 46 | V | 62.6 | Low | 66.7 | Low | 94 Ų | 94 | 118.6 Ų | 118.6 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -74.4 | 90.5 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | G54 | V46-G54 VanDerWaalsContact O-CA 3.32Å; V46-G54 WeakPolarHBondContact O-CA 3.49Å |
| 47 | G | 67.4 | Low | 67.7 | Low | 28 Ų | 28 | 117.7 Ų | 117.7 | 29% | 0.289 | 62% | 0.617 | S | S | . | * | S | Bend | trans | 142.1 | 172.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115 | F45 Q53 | F45-G47 WeakPolarHBondContact CD1-O 3.45Å; F45-G47 WeakPolarHBondContact CE1-O 3.38Å; F45-G47 PolarHBondContact O-N 2.84Å; G47-Q53 CarbonylContact C-O 3.52Å; G47-Q53 WeakPolarHBondContact CA-O 3.28Å |
| 48 | S | 69.7 | Low | 68.8 | Low | 41 Ų | 41 | 112 Ų | 112 | 29% | 0.287 | 60% | 0.595 | S | S | . | * | trans | -96.5 | 113.8 | 173.9 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | R50 E51 G52 Q53 | S48-R50 PolarHBondContact O-N 2.73Å; S48-E51 PolarHBondContact O-N 3.46Å; S48-E51 VanDerWaalsContact O-N 3.07Å; S48-G52 PolarHBondContact O-N 2.95Å; S48-Q53 CarbonylContact C-O 3.6Å; S48-Q53 PolarHBondContact N-O 3.2Å; S48-Q53 PolarHBondContact O-N 3.43Å | ||
| 49 | V | 63 | Low | 69.9 | Low | 118 Ų | 118 | 109.8 Ų | 109.8 | 72% | 0.715 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -54.8 | -35.1 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | F45 E51 G52 | F45-V49 HydrophobicContact CD1-CG2 3.87Å; F45-V49 HydrophobicContact CE1-CB 4.47Å; F45-V49 HydrophobicContact CE1-CG2 3.44Å; F45-V49 VanDerWaalsContact CE1-CG2 3.44Å; F45-V49 HydrophobicContact CZ-CG2 3.93Å; V49-E51 VanDerWaalsContact C-N 3.33Å; V49-E51 PolarHBondContact O-N 2.92Å; V49-G52 PolarHBondContact O-N 3.3Å |
| 50 | R | 66.5 | Low | 71.4 | Confident | 245 Ų | 245 | 110.2 Ų | 110.2 | 93% | 0.925 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -68.7 | -28.5 | -179.7 | -64.2 | -173.6 | 178 | -157.6 | -0.6 | 113.5 | S48 | S48-R50 PolarHBondContact O-N 2.73Š|
| 51 | E | 67.6 | Low | 72.9 | Confident | 129 Ų | 129 | 107 Ų | 107 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -98.5 | -0 | -177 | -63 | 177.3 | -177.3 | 0 | 0 | 112.7 | S48 V49 Q53 | S48-E51 PolarHBondContact O-N 3.46Å; S48-E51 VanDerWaalsContact O-N 3.07Å; V49-E51 VanDerWaalsContact C-N 3.33Å; V49-E51 PolarHBondContact O-N 2.92Å; E51-Q53 HydrophobicContact CB-CB 4.39Å; E51-Q53 HydrophobicContact CB-CG 4.01Å; E51-Q53 PolarHBondContact O-N 3.11Å; E51-Q53 VanDerWaalsContact O-N 3.11Å |
| 52 | G | 67 | Low | 74.5 | Confident | 53 Ų | 53 | 107.3 Ų | 107.3 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 64.9 | 9.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S48 V49 | S48-G52 PolarHBondContact O-N 2.95Å; V49-G52 PolarHBondContact O-N 3.3Å |
| 53 | Q | 68.9 | Low | 75.9 | Confident | 102 Ų | 102 | 106.5 Ų | 106.5 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | trans | -88 | 112.7 | 176.6 | -62.5 | -175.5 | 16.8 | 0 | 0 | 107.2 | G47 S48 E51 | G47-Q53 CarbonylContact C-O 3.52Å; G47-Q53 WeakPolarHBondContact CA-O 3.28Å; S48-Q53 CarbonylContact C-O 3.6Å; S48-Q53 PolarHBondContact N-O 3.2Å; S48-Q53 PolarHBondContact O-N 3.43Å; E51-Q53 HydrophobicContact CB-CB 4.39Å; E51-Q53 HydrophobicContact CB-CG 4.01Å; E51-Q53 PolarHBondContact O-N 3.11Å; E51-Q53 VanDerWaalsContact O-N 3.11Å | ||
| 54 | G | 80.9 | Confident | 77.6 | Confident | 9 Ų | 9 | 103.5 Ų | 103.5 | 9% | 0.093 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -171.1 | -166.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V46 A56 F57 R58 | V46-G54 VanDerWaalsContact O-CA 3.32Å; V46-G54 WeakPolarHBondContact O-CA 3.49Å; G54-A56 VanDerWaalsContact C-N 3.27Å; G54-A56 PolarHBondContact O-N 3.31Å; G54-F57 PolarHBondContact O-N 3.23Å; G54-F57 VanDerWaalsContact O-N 3.14Å; G54-R58 PolarHBondContact O-N 3.33Å |
| 55 | F | 82.3 | Confident | 79.1 | Confident | 132 Ų | 132 | 103.4 Ų | 103.4 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -55.3 | -41.1 | 174.8 | -179.3 | -99.9 | 0 | 0 | 0 | 112.7 | F57 R58 R59 | F55-F57 PolarHBondContact O-N 3.42Å; F55-R58 PolarHBondContact O-N 3.47Å; F55-R59 WeakPolarHBondContact O-CB 3.38Å; F55-R59 PolarHBondContact O-N 3.06Å |
| 56 | A | 83.1 | Confident | 80.8 | Confident | 78 Ų | 78 | 102 Ų | 102 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G54 R59 K60 | G54-A56 VanDerWaalsContact C-N 3.27Å; G54-A56 PolarHBondContact O-N 3.31Å; A56-R59 PolarHBondContact O-N 3.23Å; A56-K60 WeakPolarHBondContact O-CB 3.47Å; A56-K60 PolarHBondContact O-N 2.94Å |
| 57 | F | 85.7 | Confident | 82.5 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.7 | -177.1 | -100.2 | 0 | 0 | 0 | 112.1 | G54 F55 R59 K60 L61 | G54-F57 PolarHBondContact O-N 3.23Å; G54-F57 VanDerWaalsContact O-N 3.14Å; F55-F57 PolarHBondContact O-N 3.42Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.35Å; F57-K60 PolarHBondContact O-N 3.05Å; F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 PolarHBondContact O-N 2.89Å |
| 58 | R | 85.3 | Confident | 83.8 | Confident | 125 Ų | 125 | 108.9 Ų | 108.9 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175 | -67.9 | 175.9 | 72.7 | -168.5 | 4.1 | 111.7 | G54 F55 L61 R62 | G54-R58 PolarHBondContact O-N 3.33Å; F55-R58 PolarHBondContact O-N 3.47Å; R58-L61 PolarHBondContact O-N 3.31Å; R58-R62 WeakPolarHBondContact O-CB 3.28Å; R58-R62 WeakPolarHBondContact O-CG 3.41Å; R58-R62 PolarHBondContact O-N 3.47Å |
| 59 | R | 87.3 | Confident | 85.1 | Confident | 155 Ų | 155 | 113.4 Ų | 113.4 | 59% | 0.585 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.5 | -46 | 175.3 | -170.6 | 174.2 | -177.7 | 129.4 | -1.9 | 111.1 | F55 A56 F57 L61 R62 I63 | F55-R59 WeakPolarHBondContact O-CB 3.38Å; F55-R59 PolarHBondContact O-N 3.06Å; A56-R59 PolarHBondContact O-N 3.23Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.35Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-L61 PolarHBondContact O-N 2.93Å; R59-R62 PolarHBondContact O-N 2.99Å; R59-I63 HydrophobicContact CG-CD1 4.08Å; R59-I63 VanDerWaalsContact O-CG1 3.28Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 2.89Å |
| 60 | K | 90.6 | Very high | 86.7 | Confident | 128 Ų | 128 | 112.3 Ų | 112.3 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56.6 | -45.7 | 173.3 | -175.8 | 177.8 | -178.6 | 176.5 | 0 | 111.4 | A56 F57 I63 Q64 | A56-K60 WeakPolarHBondContact O-CB 3.47Å; A56-K60 PolarHBondContact O-N 2.94Å; F57-K60 PolarHBondContact O-N 3.05Å; K60-I63 PolarHBondContact O-N 2.89Å; K60-Q64 WeakPolarHBondContact O-CG 3.46Å; K60-Q64 PolarHBondContact O-N 2.98Å |
| 61 | L | 92.4 | Very high | 88 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.3 | -168.4 | 69.7 | 0 | 0 | 0 | 111.9 | F57 R58 R59 Q64 Q65 | F57-L61 WeakPolarHBondContact O-CB 3.48Å; F57-L61 PolarHBondContact O-N 2.89Å; R58-L61 PolarHBondContact O-N 3.31Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-L61 PolarHBondContact O-N 2.93Å; L61-Q64 PolarHBondContact O-N 2.76Å; L61-Q65 WeakPolarHBondContact O-CB 3.4Å; L61-Q65 VanDerWaalsContact O-CG 3.27Å; L61-Q65 WeakPolarHBondContact O-CG 3.41Å; L61-Q65 PolarHBondContact O-N 2.99Å |
| 62 | R | 95.1 | Very high | 89 | Confident | 172 Ų | 172 | 105.8 Ų | 105.8 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 173.3 | -81.5 | -177.6 | 174.1 | -175.6 | -1.4 | 111.9 | R58 R59 Q65 S66 | R58-R62 WeakPolarHBondContact O-CB 3.28Å; R58-R62 WeakPolarHBondContact O-CG 3.41Å; R58-R62 PolarHBondContact O-N 3.47Å; R59-R62 PolarHBondContact O-N 2.99Å; R62-Q65 PolarHBondContact O-N 3.45Å; R62-S66 PolarHBondContact O-N 2.99Å; R62-S66 PolarHBondContact O-OG 3.16Å |
| 63 | I | 94.2 | Very high | 90.2 | Very high | 100 Ų | 100 | 109 Ų | 109 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.5 | -67.2 | 165.2 | 0 | 0 | 0 | 110.8 | R59 K60 Q65 S66 Y67 | R59-I63 HydrophobicContact CG-CD1 4.08Å; R59-I63 VanDerWaalsContact O-CG1 3.28Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 2.89Å; K60-I63 PolarHBondContact O-N 2.89Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.15Å; I63-S66 WeakPolarHBondContact CA-OG 3.44Å; I63-S66 PolarHBondContact O-N 3.42Å; I63-S66 PolarHBondContact O-OG 3.4Å; I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 PolarHBondContact O-N 3.46Å |
| 64 | Q | 95.8 | Very high | 91.2 | Very high | 83 Ų | 83 | 108.9 Ų | 108.9 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.7 | -74.9 | -179.9 | -8.8 | 0 | 0 | 112.2 | K60 L61 K68 | K60-Q64 WeakPolarHBondContact O-CG 3.46Å; K60-Q64 PolarHBondContact O-N 2.98Å; L61-Q64 PolarHBondContact O-N 2.76Å; Q64-K68 WeakPolarHBondContact O-CB 3.18Å; Q64-K68 VanDerWaalsContact O-CG 3.3Å; Q64-K68 WeakPolarHBondContact O-CG 3.41Å; Q64-K68 PolarHBondContact O-N 3Å |
| 65 | Q | 96.2 | Very high | 91.4 | Very high | 114 Ų | 114 | 115.6 Ų | 115.6 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 177.5 | -73.6 | 173.4 | -3 | 0 | 0 | 111.8 | L61 R62 I63 K68 K69 | L61-Q65 WeakPolarHBondContact O-CB 3.4Å; L61-Q65 VanDerWaalsContact O-CG 3.27Å; L61-Q65 WeakPolarHBondContact O-CG 3.41Å; L61-Q65 PolarHBondContact O-N 2.99Å; R62-Q65 PolarHBondContact O-N 3.45Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.15Å; Q65-K68 PolarHBondContact O-N 3Å; Q65-K69 WeakPolarHBondContact O-CB 3.43Å; Q65-K69 PolarHBondContact O-N 3.32Å |
| 66 | S | 95.7 | Very high | 91.3 | Very high | 62 Ų | 62 | 116.5 Ų | 116.5 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.7 | 64.8 | 0 | 0 | 0 | 0 | 111.4 | R62 I63 K69 L70 | R62-S66 PolarHBondContact O-N 2.99Å; R62-S66 PolarHBondContact O-OG 3.16Å; I63-S66 WeakPolarHBondContact CA-OG 3.44Å; I63-S66 PolarHBondContact O-N 3.42Å; I63-S66 PolarHBondContact O-OG 3.4Å; S66-K69 WeakPolarHBondContact O-CA 3.41Å; S66-K69 VanDerWaalsContact O-CB 3.3Å; S66-K69 WeakPolarHBondContact O-CB 3.4Å; S66-K69 PolarHBondContact O-N 3.13Å; S66-K69 VanDerWaalsContact O-N 3.11Å; S66-L70 PolarHBondContact O-N 2.93Å |
| 67 | Y | 97.1 | Very high | 91.1 | Very high | 139 Ų | 139 | 117 Ų | 117 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 174.8 | 176.5 | -115.1 | 0 | 0 | 0 | 112.4 | I63 K69 L70 L71 | I63-Y67 WeakPolarHBondContact O-CB 3.41Å; I63-Y67 PolarHBondContact O-N 3.46Å; Y67-K69 PolarHBondContact O-N 3.39Å; Y67-L70 WeakPolarHBondContact O-CB 3.48Å; Y67-L70 PolarHBondContact O-N 3.2Å; Y67-L71 HydrophobicContact CD1-CD1 4.03Å; Y67-L71 HydrophobicContact CE1-CD1 3.46Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.46Å; Y67-L71 HydrophobicContact CE1-CG 4.12Å; Y67-L71 HydrophobicContact CE2-CD1 4.34Å; Y67-L71 HydrophobicContact CE2-CD2 4.23Å; Y67-L71 HydrophobicContact CE2-CG 4.12Å; Y67-L71 PolarHBondContact O-N 2.61Å |
| 68 | K | 96.3 | Very high | 90.4 | Very high | 126 Ų | 126 | 118.2 Ų | 118.2 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -33 | 174.5 | -73.9 | 175.3 | -178.6 | 179.7 | 0 | 112.1 | Q64 Q65 R72 | Q64-K68 WeakPolarHBondContact O-CB 3.18Å; Q64-K68 VanDerWaalsContact O-CG 3.3Å; Q64-K68 WeakPolarHBondContact O-CG 3.41Å; Q64-K68 PolarHBondContact O-N 3Å; Q65-K68 PolarHBondContact O-N 3Å; K68-R72 VanDerWaalsContact O-CG 3.27Å; K68-R72 WeakPolarHBondContact O-CG 3.47Å; K68-R72 PolarHBondContact O-N 2.68Å |
| 69 | K | 96.1 | Very high | 89.3 | Confident | 137 Ų | 137 | 116.6 Ų | 116.6 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 174.6 | -169.5 | -180 | -178.4 | -179.9 | 0 | 111.5 | Q65 S66 Y67 R72 K73 | Q65-K69 WeakPolarHBondContact O-CB 3.43Å; Q65-K69 PolarHBondContact O-N 3.32Å; S66-K69 WeakPolarHBondContact O-CA 3.41Å; S66-K69 VanDerWaalsContact O-CB 3.3Å; S66-K69 WeakPolarHBondContact O-CB 3.4Å; S66-K69 PolarHBondContact O-N 3.13Å; S66-K69 VanDerWaalsContact O-N 3.11Å; Y67-K69 PolarHBondContact O-N 3.39Å; K69-R72 PolarHBondContact O-N 2.69Å; K69-K73 WeakPolarHBondContact O-CG 3.47Å; K69-K73 PolarHBondContact O-N 3.27Å |
| 70 | L | 95.9 | Very high | 88.1 | Confident | 95 Ų | 95 | 112 Ų | 112 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 173.6 | -67.6 | 174.8 | 0 | 0 | 0 | 111.4 | S66 Y67 R72 K73 E74 | S66-L70 PolarHBondContact O-N 2.93Å; Y67-L70 WeakPolarHBondContact O-CB 3.48Å; Y67-L70 PolarHBondContact O-N 3.2Å; L70-R72 PolarHBondContact O-N 2.62Å; L70-K73 WeakPolarHBondContact O-CA 3.36Å; L70-K73 WeakPolarHBondContact O-CB 3.27Å; L70-K73 PolarHBondContact O-N 3.42Å; L70-E74 PolarHBondContact O-N 3.42Å |
| 71 | L | 93.9 | Very high | 86.8 | Confident | 55 Ų | 55 | 112 Ų | 112 | 29% | 0.288 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57 | -37 | 175.5 | -69.6 | 178.6 | 0 | 0 | 0 | 112.8 | Y67 K75 | Y67-L71 HydrophobicContact CD1-CD1 4.03Å; Y67-L71 HydrophobicContact CE1-CD1 3.46Å; Y67-L71 VanDerWaalsContact CE1-CD1 3.46Å; Y67-L71 HydrophobicContact CE1-CG 4.12Å; Y67-L71 HydrophobicContact CE2-CD1 4.34Å; Y67-L71 HydrophobicContact CE2-CD2 4.23Å; Y67-L71 HydrophobicContact CE2-CG 4.12Å; Y67-L71 PolarHBondContact O-N 2.61Å; L71-K75 WeakPolarHBondContact O-CB 3.29Å; L71-K75 VanDerWaalsContact O-CG 3.28Å; L71-K75 WeakPolarHBondContact O-CG 3.16Å; L71-K75 PolarHBondContact O-N 2.83Å |
| 72 | R | 89.9 | Confident | 85.3 | Confident | 182 Ų | 182 | 113 Ų | 113 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -38.6 | 174 | -75.7 | 173.7 | -178.1 | -169.2 | 0.3 | 112.1 | K68 K69 L70 K76 | K68-R72 VanDerWaalsContact O-CG 3.27Å; K68-R72 WeakPolarHBondContact O-CG 3.47Å; K68-R72 PolarHBondContact O-N 2.68Å; K69-R72 PolarHBondContact O-N 2.69Å; L70-R72 PolarHBondContact O-N 2.62Å; R72-K76 VanDerWaalsContact O-CG 3.26Å; R72-K76 WeakPolarHBondContact O-CG 2.92Å; R72-K76 PolarHBondContact O-N 3.24Å |
| 73 | K | 92.3 | Very high | 83.6 | Confident | 121 Ų | 121 | 109 Ų | 109 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.9 | -72.8 | -177.7 | 171.8 | -166 | 0 | 110.9 | K69 L70 K75 K76 V77 | K69-K73 WeakPolarHBondContact O-CG 3.47Å; K69-K73 PolarHBondContact O-N 3.27Å; L70-K73 WeakPolarHBondContact O-CA 3.36Å; L70-K73 WeakPolarHBondContact O-CB 3.27Å; L70-K73 PolarHBondContact O-N 3.42Å; K73-K75 PolarHBondContact O-N 3.34Å; K73-K76 WeakPolarHBondContact O-CB 3.34Å; K73-K76 PolarHBondContact O-N 3.32Å; K73-K76 VanDerWaalsContact O-N 3.16Å; K73-V77 WeakPolarHBondContact O-CG2 3.49Å; K73-V77 PolarHBondContact O-N 2.92Å |
| 74 | E | 89 | Confident | 81.8 | Confident | 98 Ų | 98 | 112 Ų | 112 | 46% | 0.458 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.6 | -72.3 | 173.2 | -163.1 | 0 | 0 | 112 | L70 K76 V77 K78 | L70-E74 PolarHBondContact O-N 3.42Å; E74-K76 VanDerWaalsContact C-N 3.29Å; E74-K76 PolarHBondContact O-N 2.92Å; E74-V77 PolarHBondContact O-N 3.47Å; E74-K78 WeakPolarHBondContact O-CB 3.37Å; E74-K78 WeakPolarHBondContact O-CG 3.29Å; E74-K78 PolarHBondContact O-N 3.13Å |
| 75 | K | 85.3 | Confident | 79.5 | Confident | 150 Ų | 150 | 117.6 Ų | 117.6 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.8 | -39.8 | 176.1 | -74.2 | -178.1 | -179.7 | -164.4 | 0 | 112.1 | L71 K73 K78 T79 | L71-K75 WeakPolarHBondContact O-CB 3.29Å; L71-K75 VanDerWaalsContact O-CG 3.28Å; L71-K75 WeakPolarHBondContact O-CG 3.16Å; L71-K75 PolarHBondContact O-N 2.83Å; K73-K75 PolarHBondContact O-N 3.34Å; K75-K78 PolarHBondContact O-N 3.26Å; K75-T79 WeakPolarHBondContact O-CG2 3.32Å; K75-T79 PolarHBondContact O-N 3.31Å; K75-T79 PolarHBondContact O-OG1 3.41Å |
| 76 | K | 79.8 | Confident | 77.2 | Confident | 151 Ų | 151 | 114.9 Ų | 114.9 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 175.8 | -76 | 178.4 | 176.6 | -158.6 | 0 | 112.8 | R72 K73 E74 T79 S80 | R72-K76 VanDerWaalsContact O-CG 3.26Å; R72-K76 WeakPolarHBondContact O-CG 2.92Å; R72-K76 PolarHBondContact O-N 3.24Å; K73-K76 WeakPolarHBondContact O-CB 3.34Å; K73-K76 PolarHBondContact O-N 3.32Å; K73-K76 VanDerWaalsContact O-N 3.16Å; E74-K76 VanDerWaalsContact C-N 3.29Å; E74-K76 PolarHBondContact O-N 2.92Å; K76-T79 VanDerWaalsContact C-OG1 3.29Å; K76-T79 VanDerWaalsContact CA-OG1 3.28Å; K76-T79 WeakPolarHBondContact CA-OG1 3.46Å; K76-T79 PolarHBondContact O-N 3.1Å; K76-T79 PolarHBondContact O-OG1 2.71Å; K76-S80 PolarHBondContact O-N 2.84Å; K76-S80 PolarHBondContact O-OG 3.38Å |
| 77 | V | 78.6 | Confident | 75.7 | Confident | 88 Ų | 88 | 118.9 Ų | 118.9 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -41.3 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | K73 E74 T79 S80 L81 | K73-V77 WeakPolarHBondContact O-CG2 3.49Å; K73-V77 PolarHBondContact O-N 2.92Å; E74-V77 PolarHBondContact O-N 3.47Å; V77-T79 PolarHBondContact O-N 2.96Å; V77-S80 WeakPolarHBondContact CA-OG 3.45Å; V77-S80 PolarHBondContact O-N 3.49Å; V77-S80 PolarHBondContact O-OG 2.87Å; V77-L81 WeakPolarHBondContact O-CB 3.43Å; V77-L81 PolarHBondContact O-N 3.21Å |
| 78 | K | 71.9 | Confident | 74.1 | Confident | 130 Ų | 130 | 120.1 Ų | 120.1 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.2 | -45.6 | 173.3 | -71.4 | 175.9 | -178.2 | -175.3 | 0 | 111 | E74 K75 S80 L81 E82 | E74-K78 WeakPolarHBondContact O-CB 3.37Å; E74-K78 WeakPolarHBondContact O-CG 3.29Å; E74-K78 PolarHBondContact O-N 3.13Å; K75-K78 PolarHBondContact O-N 3.26Å; K78-S80 VanDerWaalsContact C-N 3.32Å; K78-S80 PolarHBondContact O-N 3.08Å; K78-L81 PolarHBondContact O-N 2.9Å; K78-E82 WeakPolarHBondContact O-CB 3.48Å; K78-E82 PolarHBondContact O-N 3.4Å |
| 79 | T | 63 | Low | 72.6 | Confident | 92 Ų | 92 | 119.2 Ų | 119.2 | 56% | 0.564 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63 | -35.9 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | K75 K76 V77 S83 | K75-T79 WeakPolarHBondContact O-CG2 3.32Å; K75-T79 PolarHBondContact O-N 3.31Å; K75-T79 PolarHBondContact O-OG1 3.41Å; K76-T79 VanDerWaalsContact C-OG1 3.29Å; K76-T79 VanDerWaalsContact CA-OG1 3.28Å; K76-T79 WeakPolarHBondContact CA-OG1 3.46Å; K76-T79 PolarHBondContact O-N 3.1Å; K76-T79 PolarHBondContact O-OG1 2.71Å; V77-T79 PolarHBondContact O-N 2.96Å; T79-S83 WeakPolarHBondContact O-CB 3.26Å; T79-S83 PolarHBondContact O-N 3.24Å |
| 80 | S | 61.7 | Low | 71.9 | Confident | 58 Ų | 58 | 116 Ų | 116 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.3 | -36.9 | 176.7 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | K76 V77 K78 S83 Q84 | K76-S80 PolarHBondContact O-N 2.84Å; K76-S80 PolarHBondContact O-OG 3.38Å; V77-S80 WeakPolarHBondContact CA-OG 3.45Å; V77-S80 PolarHBondContact O-N 3.49Å; V77-S80 PolarHBondContact O-OG 2.87Å; K78-S80 VanDerWaalsContact C-N 3.32Å; K78-S80 PolarHBondContact O-N 3.08Å; S80-S83 PolarHBondContact O-N 2.89Å; S80-Q84 WeakPolarHBondContact O-CG 3.25Å; S80-Q84 PolarHBondContact O-N 2.92Å |
| 81 | L | 62.3 | Low | 70.8 | Confident | 128 Ų | 128 | 118.1 Ų | 118.1 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.8 | -42.3 | 177.6 | -176.6 | 134.6 | 0 | 0 | 0 | 111 | V77 K78 S83 Q84 | V77-L81 WeakPolarHBondContact O-CB 3.43Å; V77-L81 PolarHBondContact O-N 3.21Å; K78-L81 PolarHBondContact O-N 2.9Å; L81-S83 VanDerWaalsContact C-N 3.28Å; L81-S83 PolarHBondContact O-N 3.35Å; L81-Q84 PolarHBondContact O-N 3.34Å |
| 82 | E | 61.4 | Low | 70.3 | Confident | 93 Ų | 93 | 121.1 Ų | 121.1 | 44% | 0.435 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.9 | -28.6 | 174.5 | -158.6 | 163.2 | 159.1 | 0 | 0 | 111.5 | K78 Q84 T86 R88 | K78-E82 WeakPolarHBondContact O-CB 3.48Å; K78-E82 PolarHBondContact O-N 3.4Å; E82-Q84 VanDerWaalsContact C-N 3.3Å; E82-Q84 PolarHBondContact O-N 2.81Å; E82-T86 HydrophobicContact CG-CG2 4.27Å; E82-T86 PolarHBondContact O-N 2.82Å; E82-T86 PolarHBondContact O-OG1 3.39Å; E82-R88 IonicContact OE1-CZ 2.76Å; E82-R88 IonicContact OE1-NH1 2.61Å; E82-R88 PolarHBondContact OE1-NH1 3.17Å; E82-R88 IonicContact OE1-NH2 3.94Å |
| 83 | S | 58.5 | Low | 69.8 | Low | 86 Ų | 86 | 115.7 Ų | 115.7 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -13.1 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 114.6 | T79 S80 L81 | T79-S83 WeakPolarHBondContact O-CB 3.26Å; T79-S83 PolarHBondContact O-N 3.24Å; S80-S83 PolarHBondContact O-N 2.89Å; L81-S83 VanDerWaalsContact C-N 3.28Å; L81-S83 PolarHBondContact O-N 3.35Å |
| 84 | Q | 57.1 | Low | 69.4 | Low | 165 Ų | 165 | 115.4 Ų | 115.4 | 77% | 0.771 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -17.8 | -179.3 | -78.8 | -179.9 | 7.5 | 0 | 0 | 113.7 | S80 L81 E82 | S80-Q84 WeakPolarHBondContact O-CG 3.25Å; S80-Q84 PolarHBondContact O-N 2.92Å; L81-Q84 PolarHBondContact O-N 3.34Å; E82-Q84 VanDerWaalsContact C-N 3.3Å; E82-Q84 PolarHBondContact O-N 2.81Å |
| 85 | F | 47.7 | Very low | 69.1 | Low | 200 Ų | 200 | 116.3 Ų | 116.3 | 88% | 0.877 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.5 | 6.8 | -174 | -145.6 | -95.6 | 0 | 0 | 0 | 114.6 | ||
| 86 | T | 48.3 | Very low | 69.1 | Low | 57 Ų | 57 | 113.9 Ų | 113.9 | 35% | 0.35 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -102.4 | 123.2 | 164.4 | 55.8 | 0 | 0 | 0 | 0 | 107 | E82 R88 | E82-T86 HydrophobicContact CG-CG2 4.27Å; E82-T86 PolarHBondContact O-N 2.82Å; E82-T86 PolarHBondContact O-OG1 3.39Å; T86-R88 PolarHBondContact O-N 3.35Å; T86-R88 VanDerWaalsContact OG1-CB 3.29Å; T86-R88 WeakPolarHBondContact OG1-CB 3.46Å; T86-R88 WeakPolarHBondContact OG1-CD 3.46Å |
| 87 | D | 64.3 | Low | 68.9 | Low | 145 Ų | 145 | 110.5 Ų | 110.5 | 78% | 0.775 | 56% | 0.555 | S | S | * | * | trans | -65.9 | 67.1 | 166.6 | -162.2 | 18.5 | 0 | 0 | 0 | 107.8 | ||||
| 88 | R | 62.8 | Low | 69.2 | Low | 166 Ų | 166 | 110.3 Ų | 110.3 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | trans | -110.7 | 97.3 | -163.9 | -153.6 | 167.2 | -160.7 | 173.8 | 8.7 | 106 | E82 T86 | E82-R88 IonicContact OE1-CZ 2.76Å; E82-R88 IonicContact OE1-NH1 2.61Å; E82-R88 PolarHBondContact OE1-NH1 3.17Å; E82-R88 IonicContact OE1-NH2 3.94Å; T86-R88 PolarHBondContact O-N 3.35Å; T86-R88 VanDerWaalsContact OG1-CB 3.29Å; T86-R88 WeakPolarHBondContact OG1-CB 3.46Å; T86-R88 WeakPolarHBondContact OG1-CD 3.46Å | ||
| 89 | Y | 65.8 | Low | 69.6 | Low | 107 Ų | 107 | 107 Ų | 107 | 42% | 0.42 | 55% | 0.547 | S | S | . | . | trans | -45 | 140.7 | 175.8 | -61.5 | -73.7 | 0 | 0 | 0 | 111 | D91 Y97 | Y89-D91 PolarHBondContact O-N 2.95Å; Y89-Y97 HydrophobicContact CD1-CD2 4.12Å; Y89-Y97 HydrophobicContact CD1-CE1 4.38Å; Y89-Y97 AromaticContact CD1-CE2 3.33Å; Y89-Y97 HydrophobicContact CD1-CE2 3.33Å; Y89-Y97 AromaticContact CD1-CZ 3.52Å; Y89-Y97 HydrophobicContact CD2-CD1 4.08Å; Y89-Y97 HydrophobicContact CD2-CD2 4.13Å; Y89-Y97 AromaticContact CD2-CE1 3.9Å; Y89-Y97 HydrophobicContact CD2-CE1 3.9Å; Y89-Y97 AromaticContact CD2-CE2 3.95Å; Y89-Y97 HydrophobicContact CD2-CE2 3.95Å; Y89-Y97 HydrophobicContact CD2-CG 4.2Å; Y89-Y97 AromaticContact CD2-CZ 3.86Å; Y89-Y97 HydrophobicContact CE1-CE1 4.04Å; Y89-Y97 AromaticContact CE1-CE2 3.61Å; Y89-Y97 HydrophobicContact CE1-CE2 3.61Å; Y89-Y97 AromaticContact CE1-CZ 3.25Å; Y89-Y97 WeakPolarHBondContact CE1-OH 3.39Å; Y89-Y97 HydrophobicContact CE2-CD1 4.04Å; Y89-Y97 AromaticContact CE2-CE1 3.5Å; Y89-Y97 HydrophobicContact CE2-CE1 3.5Å; Y89-Y97 VanDerWaalsContact CE2-CE1 3.5Å; Y89-Y97 HydrophobicContact CE2-CE2 4.18Å; Y89-Y97 AromaticContact CE2-CZ 3.6Å; Y89-Y97 AromaticContact CG-CD2 3.83Å; Y89-Y97 HydrophobicContact CG-CD2 3.83Å; Y89-Y97 HydrophobicContact CG-CE1 4.32Å; Y89-Y97 AromaticContact CG-CE2 3.52Å; Y89-Y97 HydrophobicContact CG-CE2 3.52Å; Y89-Y97 HydrophobicContact CG-CG 4.36Å; Y89-Y97 AromaticContact CG-CZ 3.81Å; Y89-Y97 AromaticContact CZ-CE1 3.56Å; Y89-Y97 AromaticContact CZ-CZ 3.27Å; Y89-Y97 PolarHBondContact OH-OH 2.92Å | ||
| 90 | P | 80.1 | Confident | 70.3 | Confident | 70 Ų | 70 | 107 Ų | 107 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | trans | -47.3 | 133.7 | 177.2 | -28.9 | 35.3 | 0 | 0 | 0 | 111.4 | N92 L93 K94 | P90-N92 WeakPolarHBondContact CB-OD1 2.93Å; P90-N92 PolarHBondContact O-N 3.5Å; P90-L93 HydrophobicContact CB-CD1 4.08Å; P90-L93 HydrophobicContact CB-CG 4.39Å; P90-L93 HydrophobicContact CG-CD1 3.97Å; P90-L93 WeakPolarHBondContact O-CA 3.34Å; P90-L93 PolarHBondContact O-N 2.85Å; P90-K94 PolarHBondContact O-N 3.16Å | ||
| 91 | D | 72.4 | Confident | 71.2 | Confident | 138 Ų | 138 | 109.6 Ų | 109.6 | 74% | 0.738 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.7 | -172.7 | -149.9 | 26.9 | 0 | 0 | 0 | 112.2 | Y89 L93 K94 | Y89-D91 PolarHBondContact O-N 2.95Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.44Å; D91-K94 VanDerWaalsContact O-CB 3.3Å; D91-K94 WeakPolarHBondContact O-CB 3.5Å; D91-K94 PolarHBondContact O-N 2.97Å |
| 92 | N | 83.3 | Confident | 72 | Confident | 118 Ų | 118 | 108.6 Ų | 108.6 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.1 | 173.5 | 64.8 | -33.1 | 0 | 0 | 0 | 113.9 | P90 H95 | P90-N92 WeakPolarHBondContact CB-OD1 2.93Å; P90-N92 PolarHBondContact O-N 3.5Å; N92-H95 PolarHBondContact O-CE1 2.92Å; N92-H95 PolarHBondContact O-ND1 3.46Å |
| 93 | L | 79.9 | Confident | 72.7 | Confident | 69 Ų | 69 | 110.7 Ų | 110.7 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -6.6 | 177.9 | -65.7 | 169.2 | 0 | 0 | 0 | 112.7 | P90 D91 H95 L96 Y97 | P90-L93 HydrophobicContact CB-CD1 4.08Å; P90-L93 HydrophobicContact CB-CG 4.39Å; P90-L93 HydrophobicContact CG-CD1 3.97Å; P90-L93 WeakPolarHBondContact O-CA 3.34Å; P90-L93 PolarHBondContact O-N 2.85Å; D91-L93 VanDerWaalsContact C-N 3.28Å; D91-L93 PolarHBondContact O-N 3.44Å; L93-H95 PolarHBondContact O-N 3.21Å; L93-L96 HydrophobicContact CD2-CD1 3.76Å; L93-L96 WeakPolarHBondContact O-CB 3.33Å; L93-L96 PolarHBondContact O-N 3.37Å; L93-Y97 PolarHBondContact O-N 3.33Å |
| 94 | K | 83.4 | Confident | 73.4 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -48.8 | -35.2 | 176.5 | -174.9 | 177.3 | -178.2 | 175.9 | 0 | 113.2 | P90 D91 Y97 L98 | P90-K94 PolarHBondContact O-N 3.16Å; D91-K94 VanDerWaalsContact O-CB 3.3Å; D91-K94 WeakPolarHBondContact O-CB 3.5Å; D91-K94 PolarHBondContact O-N 2.97Å; K94-Y97 PolarHBondContact O-N 3.26Å; K94-L98 HydrophobicContact CG-CD1 4.06Å; K94-L98 HydrophobicContact CG-CG 4.35Å; K94-L98 VanDerWaalsContact O-CG 3.29Å; K94-L98 WeakPolarHBondContact O-CG 3.47Å; K94-L98 PolarHBondContact O-N 3.03Å |
| 95 | H | 83.6 | Confident | 74.2 | Confident | 118 Ų | 118 | 113.7 Ų | 113.7 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.2 | -32.8 | 179.3 | 68.4 | -81.5 | 0 | 0 | 0 | 113.7 | N92 L93 A99 | N92-H95 PolarHBondContact O-CE1 2.92Å; N92-H95 PolarHBondContact O-ND1 3.46Å; L93-H95 PolarHBondContact O-N 3.21Å; H95-A99 VanDerWaalsContact O-CB 3.32Å; H95-A99 WeakPolarHBondContact O-CB 2.98Å; H95-A99 PolarHBondContact O-N 3.37Å; H95-A99 VanDerWaalsContact O-N 3.1Å |
| 96 | L | 84.9 | Confident | 75.5 | Confident | 99 Ų | 99 | 111.4 Ų | 111.4 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 175 | -64.7 | 178 | 0 | 0 | 0 | 110.5 | L93 A99 E100 | L93-L96 HydrophobicContact CD2-CD1 3.76Å; L93-L96 WeakPolarHBondContact O-CB 3.33Å; L93-L96 PolarHBondContact O-N 3.37Å; L96-A99 WeakPolarHBondContact O-CB 3.28Å; L96-A99 PolarHBondContact O-N 3.44Å; L96-E100 PolarHBondContact O-N 2.79Å |
| 97 | Y | 76.3 | Confident | 76.4 | Confident | 79 Ų | 79 | 113.3 Ų | 113.3 | 31% | 0.31 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 176.6 | -95.5 | -86.7 | 0 | 0 | 0 | 112.6 | Y89 L93 K94 A99 E100 E101 | Y89-Y97 HydrophobicContact CD1-CD2 4.12Å; Y89-Y97 HydrophobicContact CD1-CE1 4.38Å; Y89-Y97 AromaticContact CD1-CE2 3.33Å; Y89-Y97 HydrophobicContact CD1-CE2 3.33Å; Y89-Y97 AromaticContact CD1-CZ 3.52Å; Y89-Y97 HydrophobicContact CD2-CD1 4.08Å; Y89-Y97 HydrophobicContact CD2-CD2 4.13Å; Y89-Y97 AromaticContact CD2-CE1 3.9Å; Y89-Y97 HydrophobicContact CD2-CE1 3.9Å; Y89-Y97 AromaticContact CD2-CE2 3.95Å; Y89-Y97 HydrophobicContact CD2-CE2 3.95Å; Y89-Y97 HydrophobicContact CD2-CG 4.2Å; Y89-Y97 AromaticContact CD2-CZ 3.86Å; Y89-Y97 HydrophobicContact CE1-CE1 4.04Å; Y89-Y97 AromaticContact CE1-CE2 3.61Å; Y89-Y97 HydrophobicContact CE1-CE2 3.61Å; Y89-Y97 AromaticContact CE1-CZ 3.25Å; Y89-Y97 WeakPolarHBondContact CE1-OH 3.39Å; Y89-Y97 HydrophobicContact CE2-CD1 4.04Å; Y89-Y97 AromaticContact CE2-CE1 3.5Å; Y89-Y97 HydrophobicContact CE2-CE1 3.5Å; Y89-Y97 VanDerWaalsContact CE2-CE1 3.5Å; Y89-Y97 HydrophobicContact CE2-CE2 4.18Å; Y89-Y97 AromaticContact CE2-CZ 3.6Å; Y89-Y97 AromaticContact CG-CD2 3.83Å; Y89-Y97 HydrophobicContact CG-CD2 3.83Å; Y89-Y97 HydrophobicContact CG-CE1 4.32Å; Y89-Y97 AromaticContact CG-CE2 3.52Å; Y89-Y97 HydrophobicContact CG-CE2 3.52Å; Y89-Y97 HydrophobicContact CG-CG 4.36Å; Y89-Y97 AromaticContact CG-CZ 3.81Å; Y89-Y97 AromaticContact CZ-CE1 3.56Å; Y89-Y97 AromaticContact CZ-CZ 3.27Å; Y89-Y97 PolarHBondContact OH-OH 2.92Å; L93-Y97 PolarHBondContact O-N 3.33Å; K94-Y97 PolarHBondContact O-N 3.26Å; Y97-A99 PolarHBondContact O-N 3.41Å; Y97-E100 PolarHBondContact O-N 3.06Å; Y97-E100 VanDerWaalsContact O-N 3.13Å; Y97-E101 WeakPolarHBondContact O-CG 3.45Å; Y97-E101 PolarHBondContact O-N 3.44Å |
| 98 | L | 84 | Confident | 76 | Confident | 85 Ų | 85 | 111 Ų | 111 | 45% | 0.445 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -37.5 | 175.5 | -69.3 | 173.9 | 0 | 0 | 0 | 111.6 | K94 E102 | K94-L98 HydrophobicContact CG-CD1 4.06Å; K94-L98 HydrophobicContact CG-CG 4.35Å; K94-L98 VanDerWaalsContact O-CG 3.29Å; K94-L98 WeakPolarHBondContact O-CG 3.47Å; K94-L98 PolarHBondContact O-N 3.03Å; L98-E102 WeakPolarHBondContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CG 3.42Å; L98-E102 PolarHBondContact O-N 2.87Å |
| 99 | A | 80.6 | Confident | 75.8 | Confident | 59 Ų | 59 | 113.5 Ų | 113.5 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | H95 L96 Y97 R103 | H95-A99 VanDerWaalsContact O-CB 3.32Å; H95-A99 WeakPolarHBondContact O-CB 2.98Å; H95-A99 PolarHBondContact O-N 3.37Å; H95-A99 VanDerWaalsContact O-N 3.1Å; L96-A99 WeakPolarHBondContact O-CB 3.28Å; L96-A99 PolarHBondContact O-N 3.44Å; Y97-A99 PolarHBondContact O-N 3.41Å; A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 PolarHBondContact O-N 3.28Å |
| 100 | E | 77.4 | Confident | 75.4 | Confident | 93 Ų | 93 | 117.8 Ų | 117.8 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.1 | -44.5 | 176.2 | -177.1 | 168.9 | -157.3 | 0 | 0 | 112.2 | L96 Y97 E102 R103 L104 | L96-E100 PolarHBondContact O-N 2.79Å; Y97-E100 PolarHBondContact O-N 3.06Å; Y97-E100 VanDerWaalsContact O-N 3.13Å; E100-E102 VanDerWaalsContact C-N 3.34Å; E100-E102 PolarHBondContact O-N 3.14Å; E100-R103 WeakPolarHBondContact O-CB 3.45Å; E100-R103 PolarHBondContact O-N 2.99Å; E100-R103 VanDerWaalsContact O-N 3.15Å; E100-L104 HydrophobicContact CG-CD1 4.37Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.4Å |
| 101 | E | 80.2 | Confident | 73.9 | Confident | 112 Ų | 112 | 119.8 Ų | 119.8 | 52% | 0.523 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.1 | -45 | 173.4 | -74 | 177.6 | -174.7 | 0 | 0 | 111.5 | Y97 R103 L104 R105 | Y97-E101 WeakPolarHBondContact O-CG 3.45Å; Y97-E101 PolarHBondContact O-N 3.44Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.31Å; E101-L104 PolarHBondContact O-N 3Å; E101-R105 WeakPolarHBondContact O-CB 3.3Å; E101-R105 VanDerWaalsContact O-CG 3.28Å; E101-R105 WeakPolarHBondContact O-CG 3.27Å; E101-R105 PolarHBondContact O-N 2.95Å |
| 102 | E | 80.6 | Confident | 72.6 | Confident | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -41.1 | 174.4 | -83.1 | -164.1 | -162.7 | 0 | 0 | 112 | L98 E100 R105 K106 | L98-E102 WeakPolarHBondContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CG 3.42Å; L98-E102 PolarHBondContact O-N 2.87Å; E100-E102 VanDerWaalsContact C-N 3.34Å; E100-E102 PolarHBondContact O-N 3.14Å; E102-R105 PolarHBondContact O-N 3.49Å; E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.39Å; E102-K106 WeakPolarHBondContact O-CD 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.48Å; E102-K106 PolarHBondContact O-N 2.94Å; E102-K106 IonicContact OE2-NZ 2.68Å; E102-K106 PolarHBondContact OE2-NZ 3.44Å |
| 103 | R | 75.6 | Confident | 70.6 | Confident | 137 Ų | 137 | 121.3 Ų | 121.3 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.1 | -46.9 | 176.8 | -167.7 | -173.3 | 72.9 | 95.3 | 2.2 | 110.5 | A99 E100 E101 K106 Q107 | A99-R103 WeakPolarHBondContact O-CB 3.47Å; A99-R103 PolarHBondContact O-N 3.28Å; E100-R103 WeakPolarHBondContact O-CB 3.45Å; E100-R103 PolarHBondContact O-N 2.99Å; E100-R103 VanDerWaalsContact O-N 3.15Å; E101-R103 VanDerWaalsContact C-N 3.32Å; E101-R103 PolarHBondContact O-N 3.31Å; R103-K106 CarbonylContact O-C 3.29Å; R103-K106 PolarHBondContact O-N 2.72Å; R103-Q107 WeakPolarHBondContact O-CG 3.29Å; R103-Q107 PolarHBondContact O-N 2.93Å |
| 104 | L | 73.3 | Confident | 68.4 | Low | 102 Ų | 102 | 125.8 Ų | 125.8 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.6 | -36.4 | 179.3 | -72.3 | 170.4 | 0 | 0 | 0 | 112.9 | E100 E101 Q107 | E100-L104 HydrophobicContact CG-CD1 4.37Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 3.4Å; E101-L104 PolarHBondContact O-N 3Å; L104-Q107 PolarHBondContact O-N 3.1Å |
| 105 | R | 74.6 | Confident | 66.2 | Low | 212 Ų | 212 | 128.1 Ų | 128.1 | 80% | 0.8 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.7 | -34.1 | 174.1 | -73.8 | -76 | 179.1 | 168.2 | -1.2 | 112.7 | E101 E102 | E101-R105 WeakPolarHBondContact O-CB 3.3Å; E101-R105 VanDerWaalsContact O-CG 3.28Å; E101-R105 WeakPolarHBondContact O-CG 3.27Å; E101-R105 PolarHBondContact O-N 2.95Å; E102-R105 PolarHBondContact O-N 3.49Å |
| 106 | K | 74.2 | Confident | 64 | Low | 151 Ų | 151 | 127.8 Ų | 127.8 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.3 | -17.2 | 177.3 | -70.8 | 167.7 | -179.8 | 164.5 | 0 | 113 | E102 R103 P108 | E102-K106 VanDerWaalsContact O-CB 3.28Å; E102-K106 WeakPolarHBondContact O-CB 3.39Å; E102-K106 WeakPolarHBondContact O-CD 3.27Å; E102-K106 WeakPolarHBondContact O-CG 3.48Å; E102-K106 PolarHBondContact O-N 2.94Å; E102-K106 IonicContact OE2-NZ 2.68Å; E102-K106 PolarHBondContact OE2-NZ 3.44Å; R103-K106 CarbonylContact O-C 3.29Å; R103-K106 PolarHBondContact O-N 2.72Å; K106-P108 WeakPolarHBondContact O-CD 3.47Å |
| 107 | Q | 66.6 | Low | 61.5 | Low | 98 Ų | 98 | 131.2 Ų | 131.2 | 46% | 0.458 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -62.4 | 123.1 | 166.7 | -70.2 | -61.2 | -9.9 | 0 | 0 | 107.6 | R103 L104 R109 | R103-Q107 WeakPolarHBondContact O-CG 3.29Å; R103-Q107 PolarHBondContact O-N 2.93Å; L104-Q107 PolarHBondContact O-N 3.1Å; Q107-R109 PolarHBondContact O-N 3.16Å |
| 108 | P | 56.6 | Low | 59.9 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 62% | 0.617 | 66% | 0.662 | S | S | * | * | trans | -59.6 | 126.1 | 170.5 | 25.9 | -31.9 | 0 | 0 | 0 | 107.4 | K106 K110 | K106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-K110 VanDerWaalsContact C-N 3.34Å; P108-K110 PolarHBondContact O-N 3.45Å | ||
| 109 | R | 57.4 | Low | 57.5 | Low | 220 Ų | 220 | 137.8 Ų | 137.8 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | trans | -59 | 102.7 | 168 | -72.4 | -175.9 | 176.3 | -178.3 | -3.1 | 106.6 | Q107 V111 | Q107-R109 PolarHBondContact O-N 3.16Å; R109-V111 VanDerWaalsContact C-N 3.3Å; R109-V111 HydrophobicContact CB-CG2 4.46Å; R109-V111 PolarHBondContact O-N 2.89Å | ||
| 110 | K | 58.8 | Low | 55.1 | Low | 196 Ų | 196 | 143.4 Ų | 143.4 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | trans | -73.2 | 94.2 | 169.3 | -69.4 | -166.2 | 177.8 | -172 | 0 | 107.4 | P108 | P108-K110 VanDerWaalsContact C-N 3.34Å; P108-K110 PolarHBondContact O-N 3.45Å | ||
| 111 | V | 47.6 | Very low | 53.2 | Low | 113 Ų | 113 | 147.8 Ų | 147.8 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | trans | -88.3 | 111.6 | 155.7 | 177.4 | 0 | 0 | 0 | 0 | 101.6 | R109 | R109-V111 VanDerWaalsContact C-N 3.3Å; R109-V111 HydrophobicContact CB-CG2 4.46Å; R109-V111 PolarHBondContact O-N 2.89Å | ||
| 112 | D | 45.9 | Very low | 51.4 | Low | 121 Ų | 121 | 147.8 Ų | 147.8 | 65% | 0.647 | 72% | 0.721 | S | S | * | * | cis | -162.4 | 163.6 | 31.6 | -82.8 | -36.4 | 0 | 0 | 0 | 113.1 | ||||
| 113 | H | 41.6 | Very low | 48.8 | Very low | 167 Ų | 167 | 149 Ų | 149 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | 51.5 | 120.7 | 149.2 | -62.7 | -50.8 | 0 | 0 | 0 | 122.7 | ||||
| 114 | L | 34 | Very low | 46.6 | Very low | 163 Ų | 163 | 149.6 Ų | 149.6 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | -172.9 | 114.2 | 112.1 | -93.3 | 164.2 | 0 | 0 | 0 | 111.4 | |||||
| 115 | L | 37.3 | Very low | 44.9 | Very low | 163 Ų | 163 | 152.3 Ų | 152.3 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | 8.6 | 119.4 | 151.9 | -78.6 | 143.7 | 0 | 0 | 0 | 119.4 | ||||
| 116 | S | 35.5 | Very low | 43.7 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -145.7 | 100.2 | 138.2 | -163 | 0 | 0 | 0 | 0 | 109 | ||||
| 117 | E | 34.4 | Very low | 41.7 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | 54.9 | 102.7 | 150 | -74.8 | 168.8 | 152.2 | 0 | 0 | 120 | ||||
| 118 | Q | 41.1 | Very low | 39.7 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -5.9 | 130.4 | 133.2 | -63.2 | 170.2 | 9.9 | 0 | 0 | 114.8 | ||||
| 119 | V | 34.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 153 Ų | 153 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | -175.9 | 126.2 | 116.4 | 154.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 120 | H | 30 | Very low | 37.6 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 83.7 | 88.4 | 172.9 | -60.5 | -49.9 | 0 | 0 | 0 | 119.7 | ||||
| 121 | Q | 37.7 | Very low | 36.6 | Very low | 185 Ų | 185 | 147 Ų | 147 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -113.4 | 138.5 | 133.5 | -144.7 | 170 | 18.2 | 0 | 0 | 106.5 | ||||
| 122 | P | 42.5 | Very low | 36.6 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | -140.2 | 138.3 | 96.9 | 35.5 | -19.1 | 0 | 0 | 0 | 110 | |||||
| 123 | L | 26.2 | Very low | 36 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | 125.7 | 116 | 66.1 | 173 | 137.8 | 0 | 0 | 0 | 105.5 | |||||
| 124 | L | 28.8 | Very low | 35.1 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -159.9 | 93.8 | 131.4 | -105.3 | -175.8 | 0 | 0 | 0 | 107.3 | ||||
| 125 | E | 37.3 | Very low | 35.1 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -67.8 | 124.9 | 149.3 | -64.6 | 173.7 | 163.5 | 0 | 0 | 106.9 | ||||
| 126 | E | 48.8 | Very low | 35.2 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -123.6 | 133.5 | 140.7 | -78.4 | -148.1 | 164.9 | 0 | 0 | 108.3 | ||||
| 127 | Q | 33.1 | Very low | 35.2 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -81.7 | 157.4 | -167.1 | -59.2 | -176.5 | 0.2 | 0 | 0 | 112.3 | ||||
| 128 | C | 25.4 | Very low | 35 | Very low | 116 Ų | 116 | 147 Ų | 147 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | 21.9 | 140.1 | 129.4 | -54.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 129 | S | 34.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -176.9 | -168.2 | 31.7 | -100.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 130 | I | 35 | Very low | 34.7 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | 94 | 107.4 | 164.9 | -50.9 | 158 | 0 | 0 | 0 | 111.4 | ||||
| 131 | D | 38.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -147.6 | 137.4 | 16.2 | -84.5 | -39.4 | 0 | 0 | 0 | 112.4 | A133 | D131-A133 VanDerWaalsContact C-N 3.3Å; D131-A133 PolarHBondContact O-N 3.07Å; D131-A133 VanDerWaalsContact O-N 3.14Å | ||
| 132 | Q | 47.3 | Very low | 35 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -70 | 87.1 | 152.9 | -177.1 | 167.5 | 5.8 | 0 | 0 | 108.2 | C134 | Q132-C134 PolarHBondContact O-N 2.92Š| ||
| 133 | A | 32.2 | Very low | 34.7 | Very low | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | trans | -85 | 101.7 | 159 | 0 | 0 | 0 | 0 | 0 | 108 | D131 F135 | D131-A133 VanDerWaalsContact C-N 3.3Å; D131-A133 PolarHBondContact O-N 3.07Å; D131-A133 VanDerWaalsContact O-N 3.14Å; A133-F135 PolarHBondContact O-N 3.06Å | ||
| 134 | C | 23.8 | Very low | 35.5 | Very low | 85 Ų | 85 | 143 Ų | 143 | 57% | 0.574 | 77% | 0.768 | S | S | * | * | trans | -41.9 | 131.2 | 163.4 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | Q132 | Q132-C134 PolarHBondContact O-N 2.92Š| ||
| 135 | F | 34.9 | Very low | 35.6 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | trans | -129 | 83.1 | 136.5 | -86.8 | -78.8 | 0 | 0 | 0 | 106.9 | A133 D137 | A133-F135 PolarHBondContact O-N 3.06Å; F135-D137 PolarHBondContact O-N 3.2Å | ||
| 136 | E | 38.9 | Very low | 35.8 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | -57 | 115.8 | 136.8 | -69.6 | -178.9 | 145 | 0 | 0 | 106.4 | ||||
| 137 | D | 34.3 | Very low | 35.3 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -136.6 | 99.3 | 141.8 | -100.8 | -22.4 | 0 | 0 | 0 | 106.6 | F135 C139 | F135-D137 PolarHBondContact O-N 3.2Å; D137-C139 PolarHBondContact O-N 3.05Å; D137-C139 VanDerWaalsContact O-N 3.08Å | ||
| 138 | Q | 30.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -58.5 | 102.9 | 156 | -66.6 | 166.7 | 20.7 | 0 | 0 | 107 | ||||
| 139 | C | 28.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -111.7 | 82.4 | 153.2 | -104.2 | 0 | 0 | 0 | 0 | 107 | D137 F141 | D137-C139 PolarHBondContact O-N 3.05Å; D137-C139 VanDerWaalsContact O-N 3.08Å; C139-F141 PolarHBondContact O-N 3.37Å | ||
| 140 | S | 42.3 | Very low | 36.2 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -42.5 | 110.1 | 153.9 | 39 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 141 | F | 34.1 | Very low | 36.7 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | -126.1 | 113.4 | 161 | -172.6 | -99 | 0 | 0 | 0 | 107.4 | C139 | C139-F141 PolarHBondContact O-N 3.37Š| ||
| 142 | D | 39.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -57.4 | 133 | -161.4 | -63.3 | -60.2 | 0 | 0 | 0 | 114.3 | P144 | D142-P144 WeakPolarHBondContact O-CD 3.37Š| ||
| 143 | L | 35.3 | Very low | 37.2 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -70.1 | 120.2 | 155.1 | 177.4 | 74.3 | 0 | 0 | 0 | 108.5 | ||||
| 144 | P | 43.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -93.4 | 113.1 | 157.9 | 11.5 | 7.6 | 0 | 0 | 0 | 108.2 | D142 | D142-P144 WeakPolarHBondContact O-CD 3.37Š| ||
| 145 | Q | 29.8 | Very low | 39.1 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -56.9 | 139.2 | 157.1 | -71.7 | -171.7 | -38.8 | 0 | 0 | 109.3 | E147 | Q145-E147 PolarHBondContact O-N 2.98Š| ||
| 146 | P | 41.9 | Very low | 40.1 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 109.7 | 166.5 | 29.8 | -29 | 0 | 0 | 0 | 108.4 | E148 | P146-E148 PolarHBondContact O-N 2.95Š| ||
| 147 | E | 38.7 | Very low | 40.6 | Very low | 189 Ų | 189 | 148.1 Ų | 148.1 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 132.2 | 168.1 | -66.7 | -178.8 | -169.9 | 0 | 0 | 110.1 | Q145 | Q145-E147 PolarHBondContact O-N 2.98Š| ||
| 148 | E | 46.8 | Very low | 41.7 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -72.4 | 137.7 | 178.6 | -79.6 | -168.8 | -177.5 | 0 | 0 | 112.4 | P146 | P146-E148 PolarHBondContact O-N 2.95Š| ||
| 149 | Q | 39.8 | Very low | 43 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | 76.1 | 108.8 | 146.9 | -62.1 | 171 | 53.9 | 0 | 0 | 119.3 | ||||
| 150 | C | 24.7 | Very low | 44.3 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -122.8 | 113.2 | 142.2 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 151 | S | 46.1 | Very low | 45.3 | Very low | 84 Ų | 84 | 149 Ų | 149 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | trans | -35.5 | 141 | 165.5 | 58.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 152 | K | 41.8 | Very low | 46.9 | Very low | 178 Ų | 178 | 149 Ų | 149 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 156.6 | 106 | 119 | -84.3 | 156.3 | -170.8 | 173.8 | 0 | 110.5 | V154 | K152-V154 HydrophobicContact CB-CG2 4.31Å; K152-V154 PolarHBondContact O-N 3.04Å; K152-V154 VanDerWaalsContact O-N 3.08Å | |||
| 153 | T | 54.1 | Low | 48.2 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -58.6 | 104.7 | 155.5 | -46.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 154 | V | 37.8 | Very low | 50.1 | Low | 106 Ų | 106 | 152.5 Ų | 152.5 | 64% | 0.642 | 78% | 0.783 | S | S | * | * | trans | -136.2 | 113.2 | 156.6 | -161.2 | 0 | 0 | 0 | 0 | 106.4 | K152 Y156 | K152-V154 HydrophobicContact CB-CG2 4.31Å; K152-V154 PolarHBondContact O-N 3.04Å; K152-V154 VanDerWaalsContact O-N 3.08Å; V154-Y156 VanDerWaalsContact C-N 3.29Å; V154-Y156 WeakPolarHBondContact O-CD1 3.23Å; V154-Y156 PolarHBondContact O-N 3.23Å | ||
| 155 | N | 59.1 | Low | 52 | Low | 155 Ų | 155 | 156.8 Ų | 156.8 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -55.8 | 92.8 | 169.9 | -76.8 | -31 | 0 | 0 | 0 | 108.9 | ||||
| 156 | Y | 54.8 | Low | 54.6 | Low | 185 Ų | 185 | 154 Ų | 154 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | trans | -86.3 | 119.7 | 162.3 | 61.3 | -89.9 | 0 | 0 | 0 | 106.4 | V154 T158 | V154-Y156 VanDerWaalsContact C-N 3.29Å; V154-Y156 WeakPolarHBondContact O-CD1 3.23Å; V154-Y156 PolarHBondContact O-N 3.23Å; Y156-T158 PolarHBondContact O-N 2.86Å; Y156-T158 VanDerWaalsContact O-N 3.07Å | ||
| 157 | F | 50.6 | Low | 57 | Low | 192 Ų | 192 | 151.7 Ų | 151.7 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | trans | -33.4 | 118 | 168.4 | -70.1 | -92.3 | 0 | 0 | 0 | 110.3 | I159 | F157-I159 PolarHBondContact O-N 2.82Š| ||
| 158 | T | 57 | Low | 59.6 | Low | 130 Ų | 130 | 147.6 Ų | 147.6 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -68.7 | 79.6 | 176.1 | 44.6 | 0 | 0 | 0 | 0 | 108.5 | Y156 P160 | Y156-T158 PolarHBondContact O-N 2.86Å; Y156-T158 VanDerWaalsContact O-N 3.07Å; T158-P160 WeakPolarHBondContact O-CD 3.38Å | ||
| 159 | I | 56.9 | Low | 61.8 | Low | 138 Ų | 138 | 145 Ų | 145 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -61.2 | 117.1 | 163.1 | -59.5 | 170 | 0 | 0 | 0 | 104.5 | F157 K161 | F157-I159 PolarHBondContact O-N 2.82Å; I159-K161 PolarHBondContact O-N 3.44Å | ||
| 160 | P | 56.7 | Low | 64.4 | Low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 73% | 0.725 | S | S | * | * | trans | -60.2 | 107.9 | 178.5 | 23.7 | -31.6 | 0 | 0 | 0 | 107.2 | T158 K162 | T158-P160 WeakPolarHBondContact O-CD 3.38Å; P160-K162 PolarHBondContact O-N 2.94Å | ||
| 161 | K | 63.6 | Low | 67.7 | Low | 184 Ų | 184 | 140.4 Ų | 140.4 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -57.4 | 107.9 | 175.2 | -75.4 | -177.2 | 177.2 | 174.2 | 0 | 106.2 | I159 N163 | I159-K161 PolarHBondContact O-N 3.44Å; K161-N163 PolarHBondContact O-N 2.97Å | ||
| 162 | K | 65.7 | Low | 70 | Confident | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | trans | -53 | 118.9 | 173 | -60 | -176 | -177.9 | -178.9 | 0 | 106.7 | P160 K164 | P160-K162 PolarHBondContact O-N 2.94Å; K162-K164 PolarHBondContact O-N 3.15Å | ||
| 163 | N | 68.4 | Low | 72.6 | Confident | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | trans | -50.8 | 110.2 | -172.7 | -60.9 | -30.6 | 0 | 0 | 0 | 109.5 | K161 K165 | K161-N163 PolarHBondContact O-N 2.97Å; N163-K165 PolarHBondContact O-N 3.03Å | ||
| 164 | K | 75.4 | Confident | 74.5 | Confident | 198 Ų | 198 | 132.4 Ų | 132.4 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.5 | 173.4 | -67.2 | -172.6 | -179.9 | -176.3 | 0 | 107.3 | K162 K166 | K162-K164 PolarHBondContact O-N 3.15Å; K164-K166 PolarHBondContact O-N 3.49Å |
| 165 | K | 82.4 | Confident | 77.3 | Confident | 203 Ų | 203 | 133.3 Ų | 133.3 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 127.4 | 179 | -66 | 179.5 | -179.1 | 177 | 0 | 108.5 | N163 | N163-K165 PolarHBondContact O-N 3.03Š|
| 166 | K | 85 | Confident | 79.1 | Confident | 102 Ų | 102 | 133 Ų | 133 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 139.8 | 178.4 | -55.4 | -172.4 | -173.2 | -172.4 | 0 | 110.4 | K164 Q170 K171 E174 | K164-K166 PolarHBondContact O-N 3.49Å; K166-Q170 HydrophobicContact CB-CB 4.41Å; K166-K171 HydrophobicContact CB-CG 4.02Å; K166-E174 VanDerWaalsContact CD-OE1 3.27Å; K166-E174 WeakPolarHBondContact CD-OE1 3.36Å; K166-E174 WeakPolarHBondContact CD-OE2 3.43Å; K166-E174 WeakPolarHBondContact CE-OE1 3.3Å; K166-E174 IonicContact NZ-OE1 3.74Å; K166-E174 PolarHBondContact NZ-OE1 3.3Å; K166-E174 IonicContact NZ-OE2 2.71Å; K166-E174 PolarHBondContact NZ-OE2 3.32Å |
| 167 | T | 91.6 | Very high | 81.1 | Confident | 74 Ų | 74 | 130.2 Ų | 130.2 | 45% | 0.454 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 158.4 | 175.3 | 80.2 | 0 | 0 | 0 | 0 | 110 | N169 Q170 K171 | T167-N169 VanDerWaalsContact C-N 3.27Å; T167-N169 PolarHBondContact O-N 3.29Å; T167-Q170 PolarHBondContact O-N 3.06Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.38Å; T167-Q170 PolarHBondContact OG1-N 2.91Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.22Å |
| 168 | S | 93.3 | Very high | 83.2 | Confident | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -55.8 | -42.8 | 177.9 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | Q170 K171 A172 | S168-Q170 PolarHBondContact O-N 3.37Å; S168-K171 WeakPolarHBondContact O-CB 3.26Å; S168-K171 PolarHBondContact O-N 2.97Å; S168-A172 PolarHBondContact O-N 2.92Å |
| 169 | N | 93.3 | Very high | 85.1 | Confident | 108 Ų | 108 | 122.6 Ų | 122.6 | 58% | 0.578 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.5 | -42.1 | 179.3 | -169.5 | -68 | 0 | 0 | 0 | 111.9 | T167 K171 A172 Q173 | T167-N169 VanDerWaalsContact C-N 3.27Å; T167-N169 PolarHBondContact O-N 3.29Å; N169-K171 VanDerWaalsContact C-N 3.33Å; N169-K171 PolarHBondContact O-N 3.38Å; N169-A172 WeakPolarHBondContact O-CB 3.43Å; N169-A172 PolarHBondContact O-N 2.94Å; N169-Q173 PolarHBondContact O-N 3.4Å; N169-Q173 VanDerWaalsContact O-N 3.11Å |
| 170 | Q | 93.9 | Very high | 86.9 | Confident | 91 Ų | 91 | 120.8 Ų | 120.8 | 43% | 0.425 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.5 | -40 | 174.5 | -71.5 | 170 | -11.6 | 0 | 0 | 112.1 | K166 T167 S168 Q173 E174 | K166-Q170 HydrophobicContact CB-CB 4.41Å; T167-Q170 PolarHBondContact O-N 3.06Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.38Å; T167-Q170 PolarHBondContact OG1-N 2.91Å; S168-Q170 PolarHBondContact O-N 3.37Å; Q170-Q173 PolarHBondContact O-N 3.39Å; Q170-E174 WeakPolarHBondContact O-CG 3.43Å; Q170-E174 PolarHBondContact O-N 2.9Å; Q170-E174 VanDerWaalsContact O-N 3.13Å |
| 171 | K | 94.3 | Very high | 88.8 | Confident | 109 Ų | 109 | 118.5 Ų | 118.5 | 47% | 0.474 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.3 | -40.2 | 175.5 | -67.5 | 178.1 | -178.8 | -177.5 | 0 | 112 | K166 T167 S168 N169 Q173 E174 E175 | K166-K171 HydrophobicContact CB-CG 4.02Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.22Å; S168-K171 WeakPolarHBondContact O-CB 3.26Å; S168-K171 PolarHBondContact O-N 2.97Å; N169-K171 VanDerWaalsContact C-N 3.33Å; N169-K171 PolarHBondContact O-N 3.38Å; K171-Q173 VanDerWaalsContact C-N 3.33Å; K171-Q173 PolarHBondContact O-N 2.87Å; K171-E174 PolarHBondContact O-N 2.88Å; K171-E175 WeakPolarHBondContact O-CG 3.27Å; K171-E175 PolarHBondContact O-N 3.11Å |
| 172 | A | 94.6 | Very high | 90.3 | Very high | 56 Ų | 56 | 115.9 Ų | 115.9 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S168 N169 Y176 | S168-A172 PolarHBondContact O-N 2.92Å; N169-A172 WeakPolarHBondContact O-CB 3.43Å; N169-A172 PolarHBondContact O-N 2.94Å; A172-Y176 WeakPolarHBondContact O-CB 3.38Å; A172-Y176 PolarHBondContact O-N 2.89Å |
| 173 | Q | 95.4 | Very high | 91.6 | Very high | 111 Ų | 111 | 114.8 Ų | 114.8 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -47.7 | 174.1 | -69.9 | 176.3 | -16.4 | 0 | 0 | 111.5 | N169 Q170 K171 E175 Y176 E177 | N169-Q173 PolarHBondContact O-N 3.4Å; N169-Q173 VanDerWaalsContact O-N 3.11Å; Q170-Q173 PolarHBondContact O-N 3.39Å; K171-Q173 VanDerWaalsContact C-N 3.33Å; K171-Q173 PolarHBondContact O-N 2.87Å; Q173-E175 VanDerWaalsContact C-N 3.33Å; Q173-E175 PolarHBondContact O-N 3.38Å; Q173-Y176 WeakPolarHBondContact O-CB 3.38Å; Q173-Y176 PolarHBondContact O-N 3.43Å; Q173-Y176 VanDerWaalsContact O-N 3.16Å; Q173-E177 WeakPolarHBondContact O-CG 3.42Å; Q173-E177 PolarHBondContact O-N 2.79Å |
| 174 | E | 95.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 109.3 Ų | 109.3 | 31% | 0.313 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.4 | -70.6 | 175.7 | -176.3 | 0 | 0 | 112.3 | K166 Q170 K171 Y176 E177 Q178 | K166-E174 VanDerWaalsContact CD-OE1 3.27Å; K166-E174 WeakPolarHBondContact CD-OE1 3.36Å; K166-E174 WeakPolarHBondContact CD-OE2 3.43Å; K166-E174 WeakPolarHBondContact CE-OE1 3.3Å; K166-E174 IonicContact NZ-OE1 3.74Å; K166-E174 PolarHBondContact NZ-OE1 3.3Å; K166-E174 IonicContact NZ-OE2 2.71Å; K166-E174 PolarHBondContact NZ-OE2 3.32Å; Q170-E174 WeakPolarHBondContact O-CG 3.43Å; Q170-E174 PolarHBondContact O-N 2.9Å; Q170-E174 VanDerWaalsContact O-N 3.13Å; K171-E174 PolarHBondContact O-N 2.88Å; E174-Y176 VanDerWaalsContact C-N 3.34Å; E174-E177 PolarHBondContact O-N 3.06Å; E174-Q178 WeakPolarHBondContact O-CB 3.46Å; E174-Q178 VanDerWaalsContact O-CG 3.25Å; E174-Q178 WeakPolarHBondContact O-CG 3.3Å; E174-Q178 PolarHBondContact O-N 3.09Å |
| 175 | E | 96 | Very high | 93.8 | Very high | 125 Ų | 125 | 102.5 Ų | 102.5 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -39.3 | 175.8 | -75.3 | -178.1 | -172.6 | 0 | 0 | 111.9 | K171 Q173 Q178 V179 | K171-E175 WeakPolarHBondContact O-CG 3.27Å; K171-E175 PolarHBondContact O-N 3.11Å; Q173-E175 VanDerWaalsContact C-N 3.33Å; Q173-E175 PolarHBondContact O-N 3.38Å; E175-Q178 PolarHBondContact O-N 2.91Å; E175-V179 WeakPolarHBondContact O-CB 3.48Å; E175-V179 VanDerWaalsContact O-CG2 3.26Å; E175-V179 WeakPolarHBondContact O-CG2 3.44Å; E175-V179 PolarHBondContact O-N 3.02Å |
| 176 | Y | 96.6 | Very high | 94.4 | Very high | 148 Ų | 148 | 100 Ų | 100 | 58% | 0.58 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 175.9 | 178.9 | -102.4 | 0 | 0 | 0 | 111.7 | A172 Q173 E174 V179 Q180 | A172-Y176 WeakPolarHBondContact O-CB 3.38Å; A172-Y176 PolarHBondContact O-N 2.89Å; Q173-Y176 WeakPolarHBondContact O-CB 3.38Å; Q173-Y176 PolarHBondContact O-N 3.43Å; Q173-Y176 VanDerWaalsContact O-N 3.16Å; E174-Y176 VanDerWaalsContact C-N 3.34Å; Y176-V179 PolarHBondContact O-N 3.23Å; Y176-Q180 HydrophobicContact CD1-CG 4.44Å; Y176-Q180 HydrophobicContact CE1-CG 4.1Å; Y176-Q180 WeakPolarHBondContact O-CG 3.28Å; Y176-Q180 PolarHBondContact O-N 3.5Å; Y176-Q180 PolarHBondContact OH-NE2 3.44Å |
| 177 | E | 96.6 | Very high | 94.8 | Very high | 128 Ų | 128 | 101.6 Ų | 101.6 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 175.4 | -70.8 | 174.9 | -173 | 0 | 0 | 111.8 | Q173 E174 V179 Q180 A181 | Q173-E177 WeakPolarHBondContact O-CG 3.42Å; Q173-E177 PolarHBondContact O-N 2.79Å; E174-E177 PolarHBondContact O-N 3.06Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.26Å; E177-Q180 WeakPolarHBondContact O-CB 3.46Å; E177-Q180 PolarHBondContact O-N 3.17Å; E177-A181 WeakPolarHBondContact O-CB 3.37Å; E177-A181 PolarHBondContact O-N 2.89Å |
| 178 | Q | 95.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 104 Ų | 104 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174.7 | -74.5 | 178.9 | 36 | 0 | 0 | 112.2 | E174 E175 A181 K182 | E174-Q178 WeakPolarHBondContact O-CB 3.46Å; E174-Q178 VanDerWaalsContact O-CG 3.25Å; E174-Q178 WeakPolarHBondContact O-CG 3.3Å; E174-Q178 PolarHBondContact O-N 3.09Å; E175-Q178 PolarHBondContact O-N 2.91Å; Q178-A181 PolarHBondContact O-N 2.94Å; Q178-K182 WeakPolarHBondContact O-CB 3.34Å; Q178-K182 VanDerWaalsContact O-CG 3.23Å; Q178-K182 WeakPolarHBondContact O-CG 3.46Å; Q178-K182 PolarHBondContact O-N 2.91Å |
| 179 | V | 96.5 | Very high | 94.9 | Very high | 59 Ų | 59 | 105.3 Ų | 105.3 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | E175 Y176 E177 K182 R183 | E175-V179 WeakPolarHBondContact O-CB 3.48Å; E175-V179 VanDerWaalsContact O-CG2 3.26Å; E175-V179 WeakPolarHBondContact O-CG2 3.44Å; E175-V179 PolarHBondContact O-N 3.02Å; Y176-V179 PolarHBondContact O-N 3.23Å; E177-V179 VanDerWaalsContact C-N 3.31Å; E177-V179 PolarHBondContact O-N 3.26Å; V179-K182 PolarHBondContact O-N 3.24Å; V179-R183 VanDerWaalsContact O-CG 3.27Å; V179-R183 WeakPolarHBondContact O-CG 3.37Å; V179-R183 PolarHBondContact O-N 2.84Å |
| 180 | Q | 95 | Very high | 94.9 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 173.3 | -76 | -136.7 | 26.5 | 0 | 0 | 111.7 | Y176 E177 K182 R183 A184 | Y176-Q180 HydrophobicContact CD1-CG 4.44Å; Y176-Q180 HydrophobicContact CE1-CG 4.1Å; Y176-Q180 WeakPolarHBondContact O-CG 3.28Å; Y176-Q180 PolarHBondContact O-N 3.5Å; Y176-Q180 PolarHBondContact OH-NE2 3.44Å; E177-Q180 WeakPolarHBondContact O-CB 3.46Å; E177-Q180 PolarHBondContact O-N 3.17Å; Q180-K182 VanDerWaalsContact C-N 3.33Å; Q180-K182 PolarHBondContact O-N 2.94Å; Q180-R183 WeakPolarHBondContact O-CB 3.48Å; Q180-R183 PolarHBondContact O-N 2.89Å; Q180-R183 VanDerWaalsContact O-N 3.08Å; Q180-A184 PolarHBondContact O-N 3.39Å |
| 181 | A | 96.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 106.2 Ų | 106.2 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E177 Q178 R183 A184 A185 | E177-A181 WeakPolarHBondContact O-CB 3.37Å; E177-A181 PolarHBondContact O-N 2.89Å; Q178-A181 PolarHBondContact O-N 2.94Å; A181-R183 VanDerWaalsContact C-N 3.33Å; A181-R183 PolarHBondContact O-N 3.29Å; A181-A184 PolarHBondContact O-N 3.31Å; A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.45Å |
| 182 | K | 95.5 | Very high | 95 | Very high | 128 Ų | 128 | 108.9 Ų | 108.9 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 175.2 | -75.2 | 170.3 | -177.6 | 169.9 | 0 | 112.4 | Q178 V179 Q180 K186 | Q178-K182 WeakPolarHBondContact O-CB 3.34Å; Q178-K182 VanDerWaalsContact O-CG 3.23Å; Q178-K182 WeakPolarHBondContact O-CG 3.46Å; Q178-K182 PolarHBondContact O-N 2.91Å; V179-K182 PolarHBondContact O-N 3.24Å; Q180-K182 VanDerWaalsContact C-N 3.33Å; Q180-K182 PolarHBondContact O-N 2.94Å; K182-K186 WeakPolarHBondContact O-CB 3.36Å; K182-K186 VanDerWaalsContact O-CG 3.29Å; K182-K186 WeakPolarHBondContact O-CG 3.14Å; K182-K186 PolarHBondContact O-N 3.43Å; K182-K186 VanDerWaalsContact O-N 3.1Å |
| 183 | R | 91.4 | Very high | 95 | Very high | 174 Ų | 174 | 113.5 Ų | 113.5 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.3 | -42.4 | 176.2 | -72.9 | 172.1 | -176.8 | -178.3 | 3.8 | 111.5 | V179 Q180 A181 K186 K187 | V179-R183 VanDerWaalsContact O-CG 3.27Å; V179-R183 WeakPolarHBondContact O-CG 3.37Å; V179-R183 PolarHBondContact O-N 2.84Å; Q180-R183 WeakPolarHBondContact O-CB 3.48Å; Q180-R183 PolarHBondContact O-N 2.89Å; Q180-R183 VanDerWaalsContact O-N 3.08Å; A181-R183 VanDerWaalsContact C-N 3.33Å; A181-R183 PolarHBondContact O-N 3.29Å; R183-K186 PolarHBondContact O-N 3.43Å; R183-K187 WeakPolarHBondContact O-CB 3.43Å; R183-K187 PolarHBondContact O-N 2.84Å |
| 184 | A | 95.3 | Very high | 95.1 | Very high | 47 Ų | 47 | 113.4 Ų | 113.4 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q180 A181 K186 K187 Q188 | Q180-A184 PolarHBondContact O-N 3.39Å; A181-A184 PolarHBondContact O-N 3.31Å; A184-K186 PolarHBondContact O-N 3.37Å; A184-K187 WeakPolarHBondContact O-CB 3.41Å; A184-K187 PolarHBondContact O-N 2.84Å; A184-K187 VanDerWaalsContact O-N 3.14Å; A184-Q188 WeakPolarHBondContact O-CG 3.37Å; A184-Q188 PolarHBondContact O-N 3.31Å |
| 185 | A | 95.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 114.6 Ų | 114.6 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A181 K187 Q188 E189 | A181-A185 WeakPolarHBondContact O-CB 3.46Å; A181-A185 PolarHBondContact O-N 3.45Å; A185-K187 VanDerWaalsContact C-N 3.3Å; A185-K187 PolarHBondContact O-N 3.29Å; A185-Q188 PolarHBondContact O-N 2.99Å; A185-E189 WeakPolarHBondContact O-CB 3.48Å; A185-E189 PolarHBondContact O-N 3.14Å |
| 186 | K | 94.1 | Very high | 95.1 | Very high | 149 Ų | 149 | 114.4 Ų | 114.4 | 65% | 0.648 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -36.9 | 175.4 | -76 | 179.3 | 179.5 | -174.3 | 0 | 113 | K182 R183 A184 F190 | K182-K186 WeakPolarHBondContact O-CB 3.36Å; K182-K186 VanDerWaalsContact O-CG 3.29Å; K182-K186 WeakPolarHBondContact O-CG 3.14Å; K182-K186 PolarHBondContact O-N 3.43Å; K182-K186 VanDerWaalsContact O-N 3.1Å; R183-K186 PolarHBondContact O-N 3.43Å; A184-K186 PolarHBondContact O-N 3.37Å; K186-F190 WeakPolarHBondContact O-CB 3.4Å; K186-F190 PolarHBondContact O-N 3.11Å |
| 187 | K | 94.2 | Very high | 94.9 | Very high | 137 Ų | 137 | 113.2 Ų | 113.2 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.1 | -47.5 | 177 | -175 | -177.8 | 175.1 | -171.4 | 0 | 110.9 | R183 A184 A185 F190 E191 | R183-K187 WeakPolarHBondContact O-CB 3.43Å; R183-K187 PolarHBondContact O-N 2.84Å; A184-K187 WeakPolarHBondContact O-CB 3.41Å; A184-K187 PolarHBondContact O-N 2.84Å; A184-K187 VanDerWaalsContact O-N 3.14Å; A185-K187 VanDerWaalsContact C-N 3.3Å; A185-K187 PolarHBondContact O-N 3.29Å; K187-F190 PolarHBondContact O-N 3.46Å; K187-E191 VanDerWaalsContact CE-OE1 3.27Å; K187-E191 WeakPolarHBondContact CE-OE1 3.46Å; K187-E191 WeakPolarHBondContact O-CG 3.27Å; K187-E191 PolarHBondContact O-N 3.47Å |
| 188 | Q | 92 | Very high | 94.9 | Very high | 124 Ų | 124 | 111 Ų | 111 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 177.9 | -70.2 | 178.8 | -4.2 | 0 | 0 | 111.8 | A184 A185 F190 E191 R192 | A184-Q188 WeakPolarHBondContact O-CG 3.37Å; A184-Q188 PolarHBondContact O-N 3.31Å; A185-Q188 PolarHBondContact O-N 2.99Å; Q188-F190 VanDerWaalsContact C-N 3.31Å; Q188-F190 PolarHBondContact O-N 3.39Å; Q188-E191 PolarHBondContact O-N 3.45Å; Q188-R192 WeakPolarHBondContact O-CG 3.43Å; Q188-R192 PolarHBondContact O-N 2.8Å |
| 189 | E | 94.5 | Very high | 95 | Very high | 130 Ų | 130 | 111.2 Ų | 111.2 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -41.9 | 176.1 | -170.5 | -170.6 | 165.2 | 0 | 0 | 111.6 | A185 E191 R192 R193 | A185-E189 WeakPolarHBondContact O-CB 3.48Å; A185-E189 PolarHBondContact O-N 3.14Å; E189-E191 PolarHBondContact O-N 2.87Å; E189-R192 PolarHBondContact O-N 2.88Å; E189-R193 WeakPolarHBondContact O-CB 3.48Å; E189-R193 PolarHBondContact O-N 3.12Å |
| 190 | F | 93.9 | Very high | 95 | Very high | 129 Ų | 129 | 111 Ų | 111 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 176.3 | -178.8 | -94.2 | 0 | 0 | 0 | 112.5 | K186 K187 Q188 R193 K194 | K186-F190 WeakPolarHBondContact O-CB 3.4Å; K186-F190 PolarHBondContact O-N 3.11Å; K187-F190 PolarHBondContact O-N 3.46Å; Q188-F190 VanDerWaalsContact C-N 3.31Å; Q188-F190 PolarHBondContact O-N 3.39Å; F190-R193 PolarHBondContact O-N 3.33Å; F190-K194 WeakPolarHBondContact O-CB 3.41Å; F190-K194 PolarHBondContact O-N 3.37Å |
| 191 | E | 94.2 | Very high | 95.1 | Very high | 90 Ų | 90 | 111.8 Ų | 111.8 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.3 | -73.8 | 170.9 | -173 | 0 | 0 | 111.5 | K187 Q188 E189 K194 Q195 | K187-E191 VanDerWaalsContact CE-OE1 3.27Å; K187-E191 WeakPolarHBondContact CE-OE1 3.46Å; K187-E191 WeakPolarHBondContact O-CG 3.27Å; K187-E191 PolarHBondContact O-N 3.47Å; Q188-E191 PolarHBondContact O-N 3.45Å; E189-E191 PolarHBondContact O-N 2.87Å; E191-K194 WeakPolarHBondContact O-CB 3.43Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-K194 VanDerWaalsContact O-N 3.15Å; E191-Q195 WeakPolarHBondContact O-CG 3.49Å; E191-Q195 PolarHBondContact O-N 3.46Å |
| 192 | R | 96.2 | Very high | 95.2 | Very high | 165 Ų | 165 | 116.5 Ų | 116.5 | 62% | 0.623 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.4 | -50.8 | 173.6 | -69.4 | -67.9 | -173.8 | 170.7 | 2.2 | 111.6 | Q188 E189 K194 Q195 E196 | Q188-R192 WeakPolarHBondContact O-CG 3.43Å; Q188-R192 PolarHBondContact O-N 2.8Å; E189-R192 PolarHBondContact O-N 2.88Å; R192-K194 PolarHBondContact O-N 2.85Å; R192-K194 VanDerWaalsContact O-N 3.17Å; R192-Q195 WeakPolarHBondContact O-CB 3.31Å; R192-Q195 PolarHBondContact O-N 2.89Å; R192-Q195 VanDerWaalsContact O-N 3.09Å; R192-E196 WeakPolarHBondContact O-CG 3.47Å; R192-E196 PolarHBondContact O-N 3.48Å |
| 193 | R | 95.3 | Very high | 95.3 | Very high | 153 Ų | 153 | 115.8 Ų | 115.8 | 58% | 0.577 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -26.9 | 177.4 | -166.1 | -178.8 | -178.6 | 122.4 | 2.4 | 112.9 | E189 F190 R197 | E189-R193 WeakPolarHBondContact O-CB 3.48Å; E189-R193 PolarHBondContact O-N 3.12Å; F190-R193 PolarHBondContact O-N 3.33Å; R193-R197 WeakPolarHBondContact O-CG 3.37Å; R193-R197 PolarHBondContact O-N 3.33Å; R193-R197 PolarHBondContact O-NE 3.03Å |
| 194 | K | 96.7 | Very high | 95.6 | Very high | 108 Ų | 108 | 114.8 Ų | 114.8 | 47% | 0.47 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73 | -48.1 | 174.1 | -175.7 | -175.8 | 173.1 | -169.3 | 0 | 110.3 | F190 E191 R192 E196 R197 E198 | F190-K194 WeakPolarHBondContact O-CB 3.41Å; F190-K194 PolarHBondContact O-N 3.37Å; E191-K194 WeakPolarHBondContact O-CB 3.43Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-K194 VanDerWaalsContact O-N 3.15Å; R192-K194 PolarHBondContact O-N 2.85Å; R192-K194 VanDerWaalsContact O-N 3.17Å; K194-E196 PolarHBondContact O-N 2.89Å; K194-R197 PolarHBondContact O-N 3.07Å; K194-E198 WeakPolarHBondContact CE-OE1 3.31Å; K194-E198 WeakPolarHBondContact O-CG 3.31Å; K194-E198 PolarHBondContact O-N 3.19Å |
| 195 | Q | 94.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 118.6 Ų | 118.6 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.1 | -48.2 | 176.1 | -70.7 | 173.4 | -10.6 | 0 | 0 | 111.4 | E191 R192 R197 E198 E199 | E191-Q195 WeakPolarHBondContact O-CG 3.49Å; E191-Q195 PolarHBondContact O-N 3.46Å; R192-Q195 WeakPolarHBondContact O-CB 3.31Å; R192-Q195 PolarHBondContact O-N 2.89Å; R192-Q195 VanDerWaalsContact O-N 3.09Å; Q195-R197 VanDerWaalsContact C-N 3.28Å; Q195-R197 PolarHBondContact O-N 3.3Å; Q195-E198 PolarHBondContact O-N 3.08Å; Q195-E199 WeakPolarHBondContact O-CB 3.46Å; Q195-E199 WeakPolarHBondContact O-CG 3.3Å; Q195-E199 PolarHBondContact O-N 3.33Å |
| 196 | E | 95.9 | Very high | 95.8 | Very high | 121 Ų | 121 | 122.6 Ų | 122.6 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -55.6 | -42.2 | 176.8 | -72.4 | 169.1 | -173.3 | 0 | 0 | 112.4 | R192 K194 A200 | R192-E196 WeakPolarHBondContact O-CG 3.47Å; R192-E196 PolarHBondContact O-N 3.48Å; K194-E196 PolarHBondContact O-N 2.89Å; E196-A200 WeakPolarHBondContact O-CB 3.44Å; E196-A200 PolarHBondContact O-N 3.28Å |
| 197 | R | 93.7 | Very high | 95.9 | Very high | 123 Ų | 123 | 122 Ų | 122 | 46% | 0.464 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 176.7 | -81.4 | -179.8 | -81.9 | 164.5 | -6.6 | 111.9 | R193 K194 Q195 Q201 | R193-R197 WeakPolarHBondContact O-CG 3.37Å; R193-R197 PolarHBondContact O-N 3.33Å; R193-R197 PolarHBondContact O-NE 3.03Å; K194-R197 PolarHBondContact O-N 3.07Å; Q195-R197 VanDerWaalsContact C-N 3.28Å; Q195-R197 PolarHBondContact O-N 3.3Å; R197-Q201 VanDerWaalsContact O-CG 3.31Å; R197-Q201 WeakPolarHBondContact O-CG 3.22Å; R197-Q201 PolarHBondContact O-N 2.91Å |
| 198 | E | 96.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 121.5 Ų | 121.5 | 38% | 0.383 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 177.8 | -71.6 | 178.9 | -167.3 | 0 | 0 | 111.5 | K194 Q195 Q201 R202 | K194-E198 WeakPolarHBondContact CE-OE1 3.31Å; K194-E198 WeakPolarHBondContact O-CG 3.31Å; K194-E198 PolarHBondContact O-N 3.19Å; Q195-E198 PolarHBondContact O-N 3.08Å; E198-Q201 PolarHBondContact O-N 2.9Å; E198-R202 WeakPolarHBondContact O-CB 3.32Å; E198-R202 VanDerWaalsContact O-CG 3.3Å; E198-R202 WeakPolarHBondContact O-CG 3.26Å; E198-R202 PolarHBondContact O-N 2.85Å |
| 199 | E | 97.4 | Very high | 96.3 | Very high | 105 Ų | 105 | 120.5 Ų | 120.5 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 175.6 | -73.2 | 178.4 | -177 | 0 | 0 | 111.5 | Q195 Q201 R202 Q203 | Q195-E199 WeakPolarHBondContact O-CB 3.46Å; Q195-E199 WeakPolarHBondContact O-CG 3.3Å; Q195-E199 PolarHBondContact O-N 3.33Å; E199-Q201 VanDerWaalsContact C-N 3.31Å; E199-Q201 PolarHBondContact O-N 3.36Å; E199-R202 WeakPolarHBondContact O-CB 3.38Å; E199-R202 PolarHBondContact O-N 2.93Å; E199-R202 VanDerWaalsContact O-N 3.12Å; E199-Q203 WeakPolarHBondContact O-CB 3.44Å; E199-Q203 VanDerWaalsContact O-CG 3.31Å; E199-Q203 WeakPolarHBondContact O-CG 3.3Å; E199-Q203 PolarHBondContact O-N 2.89Å |
| 200 | A | 97.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 119.5 Ų | 119.5 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E196 Q203 Y204 | E196-A200 WeakPolarHBondContact O-CB 3.44Å; E196-A200 PolarHBondContact O-N 3.28Å; A200-Q203 PolarHBondContact O-N 2.98Å; A200-Y204 WeakPolarHBondContact O-CB 3.48Å; A200-Y204 PolarHBondContact O-N 2.71Å |
| 201 | Q | 97.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 115.2 Ų | 115.2 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 174.6 | -74.2 | -179.5 | 20.8 | 0 | 0 | 112.3 | R197 E198 E199 Y204 K205 | R197-Q201 VanDerWaalsContact O-CG 3.31Å; R197-Q201 WeakPolarHBondContact O-CG 3.22Å; R197-Q201 PolarHBondContact O-N 2.91Å; E198-Q201 PolarHBondContact O-N 2.9Å; E199-Q201 VanDerWaalsContact C-N 3.31Å; E199-Q201 PolarHBondContact O-N 3.36Å; Q201-Y204 PolarHBondContact O-N 3.26Å; Q201-K205 WeakPolarHBondContact O-CB 3.22Å; Q201-K205 VanDerWaalsContact O-CG 3.3Å; Q201-K205 WeakPolarHBondContact O-CG 3.35Å; Q201-K205 PolarHBondContact O-N 3.33Å |
| 202 | R | 98 | Very high | 96.5 | Very high | 162 Ų | 162 | 116.7 Ų | 116.7 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 176.4 | -75.3 | 175.1 | -179 | -172.1 | 1.7 | 110.8 | E198 E199 K205 K206 | E198-R202 WeakPolarHBondContact O-CB 3.32Å; E198-R202 VanDerWaalsContact O-CG 3.3Å; E198-R202 WeakPolarHBondContact O-CG 3.26Å; E198-R202 PolarHBondContact O-N 2.85Å; E199-R202 WeakPolarHBondContact O-CB 3.38Å; E199-R202 PolarHBondContact O-N 2.93Å; E199-R202 VanDerWaalsContact O-N 3.12Å; R202-K205 PolarHBondContact O-N 3.43Å; R202-K206 WeakPolarHBondContact O-CB 3.07Å; R202-K206 VanDerWaalsContact O-CG 3.31Å; R202-K206 WeakPolarHBondContact O-CG 3.47Å; R202-K206 PolarHBondContact O-N 3.44Å |
| 203 | Q | 97.3 | Very high | 96.5 | Very high | 113 Ų | 113 | 115.4 Ų | 115.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 177.2 | -72 | 179.2 | 2.6 | 0 | 0 | 111.4 | E199 A200 K205 K206 K207 | E199-Q203 WeakPolarHBondContact O-CB 3.44Å; E199-Q203 VanDerWaalsContact O-CG 3.31Å; E199-Q203 WeakPolarHBondContact O-CG 3.3Å; E199-Q203 PolarHBondContact O-N 2.89Å; A200-Q203 PolarHBondContact O-N 2.98Å; Q203-K205 VanDerWaalsContact C-N 3.35Å; Q203-K205 PolarHBondContact O-N 3.41Å; Q203-K206 PolarHBondContact O-N 3.42Å; Q203-K207 WeakPolarHBondContact O-CB 3.11Å; Q203-K207 WeakPolarHBondContact O-CG 3.28Å; Q203-K207 PolarHBondContact O-N 2.93Å |
| 204 | Y | 97.6 | Very high | 96.5 | Very high | 152 Ų | 152 | 110.4 Ų | 110.4 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.8 | -47.1 | 175.6 | 173.1 | -98 | 0 | 0 | 0 | 111.7 | A200 Q201 K207 K208 | A200-Y204 WeakPolarHBondContact O-CB 3.48Å; A200-Y204 PolarHBondContact O-N 2.71Å; Q201-Y204 PolarHBondContact O-N 3.26Å; Y204-K207 PolarHBondContact O-N 3.42Å; Y204-K208 HydrophobicContact CE1-CD 4.12Å; Y204-K208 WeakPolarHBondContact O-CB 3.4Å; Y204-K208 PolarHBondContact O-N 2.97Å |
| 205 | K | 97.7 | Very high | 96.3 | Very high | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 177.5 | -73.9 | 175.9 | -178.7 | -179.8 | 0 | 111.6 | Q201 R202 Q203 K208 M209 | Q201-K205 WeakPolarHBondContact O-CB 3.22Å; Q201-K205 VanDerWaalsContact O-CG 3.3Å; Q201-K205 WeakPolarHBondContact O-CG 3.35Å; Q201-K205 PolarHBondContact O-N 3.33Å; R202-K205 PolarHBondContact O-N 3.43Å; Q203-K205 VanDerWaalsContact C-N 3.35Å; Q203-K205 PolarHBondContact O-N 3.41Å; K205-K208 PolarHBondContact O-N 3.15Å; K205-M209 WeakPolarHBondContact O-CB 3.38Å; K205-M209 VanDerWaalsContact O-CG 3.26Å; K205-M209 WeakPolarHBondContact O-CG 3.25Å; K205-M209 PolarHBondContact O-N 2.88Å |
| 206 | K | 97.4 | Very high | 96.2 | Very high | 139 Ų | 139 | 107.5 Ų | 107.5 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58 | -54.7 | 176.4 | -75.5 | 179 | 178.2 | -171 | 0 | 111.1 | R202 Q203 K208 M209 E210 | R202-K206 WeakPolarHBondContact O-CB 3.07Å; R202-K206 VanDerWaalsContact O-CG 3.31Å; R202-K206 WeakPolarHBondContact O-CG 3.47Å; R202-K206 PolarHBondContact O-N 3.44Å; Q203-K206 PolarHBondContact O-N 3.42Å; K206-K208 VanDerWaalsContact C-N 3.31Å; K206-K208 PolarHBondContact O-N 3.45Å; K206-M209 PolarHBondContact O-N 2.93Å; K206-M209 VanDerWaalsContact O-N 3.08Å; K206-E210 WeakPolarHBondContact O-CG 3.39Å; K206-E210 PolarHBondContact O-N 2.9Å |
| 207 | K | 96.6 | Very high | 96.2 | Very high | 137 Ų | 137 | 106.8 Ų | 106.8 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.5 | -44.7 | 176.9 | -71.5 | -176.8 | 176.5 | -172.3 | 0 | 111.8 | Q203 Y204 M209 E210 V211 | Q203-K207 WeakPolarHBondContact O-CB 3.11Å; Q203-K207 WeakPolarHBondContact O-CG 3.28Å; Q203-K207 PolarHBondContact O-N 2.93Å; Y204-K207 PolarHBondContact O-N 3.42Å; K207-M209 VanDerWaalsContact C-N 3.34Å; K207-M209 PolarHBondContact O-N 2.88Å; K207-E210 PolarHBondContact O-N 2.95Å; K207-V211 WeakPolarHBondContact O-CB 3.08Å; K207-V211 VanDerWaalsContact O-CG2 3.28Å; K207-V211 WeakPolarHBondContact O-CG2 3.05Å; K207-V211 PolarHBondContact O-N 2.83Å |
| 208 | K | 97.7 | Very high | 96.3 | Very high | 126 Ų | 126 | 109.2 Ų | 109.2 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 176.7 | -175.9 | -179.7 | -179.6 | -179.8 | 0 | 111.6 | Y204 K205 K206 F212 | Y204-K208 HydrophobicContact CE1-CD 4.12Å; Y204-K208 WeakPolarHBondContact O-CB 3.4Å; Y204-K208 PolarHBondContact O-N 2.97Å; K205-K208 PolarHBondContact O-N 3.15Å; K206-K208 VanDerWaalsContact C-N 3.31Å; K206-K208 PolarHBondContact O-N 3.45Å; K208-F212 VanDerWaalsContact O-CB 3.22Å; K208-F212 WeakPolarHBondContact O-CB 3.45Å; K208-F212 PolarHBondContact O-N 3.04Å |
| 209 | M | 96.8 | Very high | 96.1 | Very high | 102 Ų | 102 | 107.9 Ų | 107.9 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 178.5 | -70.1 | -55.4 | -62.8 | 0 | 0 | 112.3 | K205 K206 K207 F212 K213 | K205-M209 WeakPolarHBondContact O-CB 3.38Å; K205-M209 VanDerWaalsContact O-CG 3.26Å; K205-M209 WeakPolarHBondContact O-CG 3.25Å; K205-M209 PolarHBondContact O-N 2.88Å; K206-M209 PolarHBondContact O-N 2.93Å; K206-M209 VanDerWaalsContact O-N 3.08Å; K207-M209 VanDerWaalsContact C-N 3.34Å; K207-M209 PolarHBondContact O-N 2.88Å; M209-F212 PolarHBondContact O-N 3.3Å; M209-K213 WeakPolarHBondContact O-CB 3.37Å; M209-K213 VanDerWaalsContact O-CG 3.25Å; M209-K213 WeakPolarHBondContact O-CG 3.38Å; M209-K213 PolarHBondContact O-N 3Å |
| 210 | E | 95.4 | Very high | 96 | Very high | 109 Ų | 109 | 113.5 Ų | 113.5 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 176 | -73.1 | 162.5 | -169.1 | 0 | 0 | 111.4 | K206 K207 F212 K213 I214 | K206-E210 WeakPolarHBondContact O-CG 3.39Å; K206-E210 PolarHBondContact O-N 2.9Å; K207-E210 PolarHBondContact O-N 2.95Å; E210-F212 VanDerWaalsContact C-N 3.33Å; E210-F212 PolarHBondContact O-N 2.81Å; E210-K213 WeakPolarHBondContact O-CB 3.47Å; E210-K213 PolarHBondContact O-N 3.43Å; E210-K213 VanDerWaalsContact O-N 3.15Å; E210-I214 VanDerWaalsContact O-CG1 3.32Å; E210-I214 WeakPolarHBondContact O-CG1 3.22Å; E210-I214 PolarHBondContact O-N 2.88Å |
| 211 | V | 95.6 | Very high | 95.8 | Very high | 39 Ų | 39 | 119.8 Ų | 119.8 | 24% | 0.236 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | K207 K213 I214 L215 Y232 | K207-V211 WeakPolarHBondContact O-CB 3.08Å; K207-V211 VanDerWaalsContact O-CG2 3.28Å; K207-V211 WeakPolarHBondContact O-CG2 3.05Å; K207-V211 PolarHBondContact O-N 2.83Å; V211-K213 VanDerWaalsContact C-N 3.32Å; V211-K213 PolarHBondContact O-N 3.47Å; V211-I214 PolarHBondContact O-N 2.92Å; V211-L215 HydrophobicContact CG1-CD1 3.7Å; V211-L215 HydrophobicContact CG1-CG 4.23Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 WeakPolarHBondContact O-CG 3.14Å; V211-L215 PolarHBondContact O-N 3.39Å; V211-Y232 HydrophobicContact CG1-CE1 4.06Å; V211-Y232 HydrophobicContact CG1-CE2 4.36Å; V211-Y232 WeakPolarHBondContact CG1-OH 3.25Å; V211-Y232 HydrophobicContact CG2-CE2 3.79Å; V211-Y232 WeakPolarHBondContact CG2-OH 3.43Å |
| 212 | F | 96.5 | Very high | 95.7 | Very high | 122 Ų | 122 | 116.1 Ų | 116.1 | 54% | 0.535 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -42 | 176.2 | -179.5 | -91.1 | 0 | 0 | 0 | 111.7 | K208 M209 E210 N216 | K208-F212 VanDerWaalsContact O-CB 3.22Å; K208-F212 WeakPolarHBondContact O-CB 3.45Å; K208-F212 PolarHBondContact O-N 3.04Å; M209-F212 PolarHBondContact O-N 3.3Å; E210-F212 VanDerWaalsContact C-N 3.33Å; E210-F212 PolarHBondContact O-N 2.81Å; F212-N216 WeakPolarHBondContact CD1-ND2 3.32Å; F212-N216 WeakPolarHBondContact CD2-ND2 2.92Å; F212-N216 VanDerWaalsContact CE1-ND2 3.28Å; F212-N216 WeakPolarHBondContact CE1-ND2 3.28Å; F212-N216 WeakPolarHBondContact CE2-ND2 3.02Å; F212-N216 WeakPolarHBondContact CG-ND2 3.47Å; F212-N216 WeakPolarHBondContact CZ-ND2 3.46Å; F212-N216 VanDerWaalsContact O-CB 3.29Å; F212-N216 WeakPolarHBondContact O-CB 3.29Å; F212-N216 PolarHBondContact O-N 3.32Å; F212-N216 PolarHBondContact O-ND2 3.4Å |
| 213 | K | 96 | Very high | 95.5 | Very high | 137 Ų | 137 | 114.2 Ų | 114.2 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -46 | 176.2 | -77.6 | 173.3 | -179.6 | -175.5 | 0 | 111.4 | M209 E210 V211 K217 | M209-K213 WeakPolarHBondContact O-CB 3.37Å; M209-K213 VanDerWaalsContact O-CG 3.25Å; M209-K213 WeakPolarHBondContact O-CG 3.38Å; M209-K213 PolarHBondContact O-N 3Å; E210-K213 WeakPolarHBondContact O-CB 3.47Å; E210-K213 PolarHBondContact O-N 3.43Å; E210-K213 VanDerWaalsContact O-N 3.15Å; V211-K213 VanDerWaalsContact C-N 3.32Å; V211-K213 PolarHBondContact O-N 3.47Å; K213-K217 WeakPolarHBondContact O-CG 3.35Å; K213-K217 PolarHBondContact O-N 2.98Å |
| 214 | I | 94.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 112.4 Ų | 112.4 | 25% | 0.246 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 179.2 | -69.5 | 168.4 | 0 | 0 | 0 | 110.5 | E210 V211 N216 K217 V228 Y232 | E210-I214 VanDerWaalsContact O-CG1 3.32Å; E210-I214 WeakPolarHBondContact O-CG1 3.22Å; E210-I214 PolarHBondContact O-N 2.88Å; V211-I214 PolarHBondContact O-N 2.92Å; I214-N216 PolarHBondContact O-N 3.42Å; I214-K217 PolarHBondContact O-N 2.93Å; I214-V228 HydrophobicContact CB-CG1 4.41Å; I214-V228 HydrophobicContact CG2-CG1 3.61Å; I214-Y232 HydrophobicContact CG2-CG 4.29Å |
| 215 | L | 92.9 | Very high | 95.4 | Very high | 67 Ų | 67 | 107.6 Ų | 107.6 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -31 | -176.2 | -66.4 | 176.7 | 0 | 0 | 0 | 113.4 | V211 Q229 Y232 | V211-L215 HydrophobicContact CG1-CD1 3.7Å; V211-L215 HydrophobicContact CG1-CG 4.23Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 WeakPolarHBondContact O-CG 3.14Å; V211-L215 PolarHBondContact O-N 3.39Å; L215-Q229 HydrophobicContact CD2-CB 4.4Å; L215-Q229 HydrophobicContact CD2-CG 4.01Å; L215-Q229 PolarHBondContact O-NE2 3.44Å; L215-Y232 HydrophobicContact CD2-CD1 4.01Å; L215-Y232 HydrophobicContact CD2-CE1 4.43Å |
| 216 | N | 93.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 106.9 Ų | 106.9 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 4.4 | 179.4 | -70.6 | -64.9 | 0 | 0 | 0 | 114.6 | F212 I214 R218 | F212-N216 WeakPolarHBondContact CD1-ND2 3.32Å; F212-N216 WeakPolarHBondContact CD2-ND2 2.92Å; F212-N216 VanDerWaalsContact CE1-ND2 3.28Å; F212-N216 WeakPolarHBondContact CE1-ND2 3.28Å; F212-N216 WeakPolarHBondContact CE2-ND2 3.02Å; F212-N216 WeakPolarHBondContact CG-ND2 3.47Å; F212-N216 WeakPolarHBondContact CZ-ND2 3.46Å; F212-N216 VanDerWaalsContact O-CB 3.29Å; F212-N216 WeakPolarHBondContact O-CB 3.29Å; F212-N216 PolarHBondContact O-N 3.32Å; F212-N216 PolarHBondContact O-ND2 3.4Å; I214-N216 PolarHBondContact O-N 3.42Å; N216-R218 PolarHBondContact O-N 3.33Å |
| 217 | K | 94.6 | Very high | 95.1 | Very high | 106 Ų | 106 | 105.2 Ų | 105.2 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | trans | -62.3 | 129.8 | 174.4 | -63.2 | -162.6 | -172.9 | 166.1 | 0 | 109.8 | K213 I214 N225 V228 | K213-K217 WeakPolarHBondContact O-CG 3.35Å; K213-K217 PolarHBondContact O-N 2.98Å; I214-K217 PolarHBondContact O-N 2.93Å; K217-N225 HydrophobicContact CB-CB 4.39Å; K217-N225 PolarHBondContact O-N 3.05Å; K217-V228 HydrophobicContact CD-CG1 4.14Å | ||
| 218 | R | 95.4 | Very high | 95 | Very high | 174 Ų | 174 | 99.8 Ų | 99.8 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | B | Isolated β-bridge | trans | -121.4 | 152.9 | 177.9 | -67.4 | 175.7 | -178.6 | -159.4 | 3.1 | 110.3 | N216 G222 Q223 | N216-R218 PolarHBondContact O-N 3.33Å; R218-G222 WeakPolarHBondContact CD-O 3.38Å; R218-Q223 CarbonylContact C-O 3.2Å; R218-Q223 WeakPolarHBondContact CA-O 3.48Å; R218-Q223 WeakPolarHBondContact CB-O 3.45Å |
| 219 | T | 94.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 96.5 Ų | 96.5 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | trans | -73.4 | 169.8 | 173.2 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | K221 G222 Q223 N225 | T219-K221 PolarHBondContact O-N 3.21Å; T219-G222 PolarHBondContact O-N 3.36Å; T219-Q223 PolarHBondContact N-O 2.89Å; T219-Q223 PolarHBondContact OG1-N 3.27Å; T219-Q223 PolarHBondContact OG1-O 3.2Å; T219-N225 HydrophobicContact CG2-CB 4.5Å | ||
| 220 | K | 93.4 | Very high | 94.7 | Very high | 224 Ų | 224 | 96.7 Ų | 96.7 | 97% | 0.974 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25.6 | 176.8 | -64.1 | -175.9 | -179.5 | -179.2 | 0 | 113.1 | G222 | K220-G222 VanDerWaalsContact C-N 3.31Š|
| 221 | K | 94.9 | Very high | 94.7 | Very high | 186 Ų | 186 | 97.4 Ų | 97.4 | 81% | 0.809 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.4 | 176.9 | -60.8 | -174.4 | 178.3 | -177.6 | 0 | 113.5 | T219 Q223 | T219-K221 PolarHBondContact O-N 3.21Å; K221-Q223 VanDerWaalsContact C-N 3.29Å; K221-Q223 PolarHBondContact O-N 3.36Å |
| 222 | G | 93.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 98 Ų | 98 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | S | Bend | trans | 80.2 | 1.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R218 T219 K220 | R218-G222 WeakPolarHBondContact CD-O 3.38Å; T219-G222 PolarHBondContact O-N 3.36Å; K220-G222 VanDerWaalsContact C-N 3.31Å |
| 223 | Q | 94.5 | Very high | 94.7 | Very high | 122 Ų | 122 | 97.3 Ų | 97.3 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | trans | -76 | 147.3 | 177.4 | -65 | 175.7 | -31 | 0 | 0 | 110.8 | R218 T219 K221 | R218-Q223 CarbonylContact C-O 3.2Å; R218-Q223 WeakPolarHBondContact CA-O 3.48Å; R218-Q223 WeakPolarHBondContact CB-O 3.45Å; T219-Q223 PolarHBondContact N-O 2.89Å; T219-Q223 PolarHBondContact OG1-N 3.27Å; T219-Q223 PolarHBondContact OG1-O 3.2Å; K221-Q223 VanDerWaalsContact C-N 3.29Å; K221-Q223 PolarHBondContact O-N 3.36Å | ||
| 224 | P | 96.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 95.4 Ų | 95.4 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -61.2 | 139.2 | 175.8 | 26.6 | -34.1 | 0 | 0 | 0 | 111.1 | L226 | P224-L226 PolarHBondContact O-N 3.21Å |
| 225 | N | 94.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 97.8 Ų | 97.8 | 28% | 0.278 | 48% | 0.481 | S | S | . | . | trans | -85.1 | 95.1 | 176.4 | -170.4 | -25.2 | 0 | 0 | 0 | 110.3 | K217 T219 N227 V228 Q229 | K217-N225 HydrophobicContact CB-CB 4.39Å; K217-N225 PolarHBondContact O-N 3.05Å; T219-N225 HydrophobicContact CG2-CB 4.5Å; N225-N227 VanDerWaalsContact C-N 3.35Å; N225-N227 PolarHBondContact O-N 3.41Å; N225-N227 PolarHBondContact OD1-N 3.41Å; N225-V228 HydrophobicContact CB-CG2 4.49Å; N225-V228 PolarHBondContact O-N 3.25Å; N225-Q229 PolarHBondContact O-N 3.32Å | ||
| 226 | L | 94.3 | Very high | 94.9 | Very high | 113 Ų | 113 | 99 Ų | 99 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.7 | -35 | -174.9 | -68.8 | 174.1 | 0 | 0 | 0 | 113.5 | P224 V228 Q229 M230 | P224-L226 PolarHBondContact O-N 3.21Å; L226-V228 VanDerWaalsContact C-N 3.33Å; L226-V228 PolarHBondContact O-N 3.4Å; L226-Q229 PolarHBondContact O-N 2.81Å; L226-M230 VanDerWaalsContact O-CB 3.31Å; L226-M230 WeakPolarHBondContact O-CB 3.45Å; L226-M230 PolarHBondContact O-N 3.39Å |
| 227 | N | 94.8 | Very high | 95 | Very high | 103 Ų | 103 | 99.9 Ų | 99.9 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | -179.1 | -70.7 | 10.2 | 0 | 0 | 0 | 111.1 | N225 Q229 M230 E231 | N225-N227 VanDerWaalsContact C-N 3.35Å; N225-N227 PolarHBondContact O-N 3.41Å; N225-N227 PolarHBondContact OD1-N 3.41Å; N227-Q229 VanDerWaalsContact C-N 3.32Å; N227-Q229 PolarHBondContact O-N 2.85Å; N227-M230 PolarHBondContact O-N 3.21Å; N227-E231 WeakPolarHBondContact O-CG 2.91Å; N227-E231 PolarHBondContact O-N 2.79Å |
| 228 | V | 95.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 101.8 Ų | 101.8 | 15% | 0.145 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67 | -34.5 | 179.6 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | I214 K217 N225 L226 Y232 | I214-V228 HydrophobicContact CB-CG1 4.41Å; I214-V228 HydrophobicContact CG2-CG1 3.61Å; K217-V228 HydrophobicContact CD-CG1 4.14Å; N225-V228 HydrophobicContact CB-CG2 4.49Å; N225-V228 PolarHBondContact O-N 3.25Å; L226-V228 VanDerWaalsContact C-N 3.33Å; L226-V228 PolarHBondContact O-N 3.4Å; V228-Y232 PolarHBondContact O-N 3.42Å |
| 229 | Q | 94.3 | Very high | 95 | Very high | 57 Ų | 57 | 100 Ų | 100 | 27% | 0.266 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 174.9 | -65.9 | -177.9 | -11.3 | 0 | 0 | 111.7 | L215 N225 L226 N227 Y232 L233 | L215-Q229 HydrophobicContact CD2-CB 4.4Å; L215-Q229 HydrophobicContact CD2-CG 4.01Å; L215-Q229 PolarHBondContact O-NE2 3.44Å; N225-Q229 PolarHBondContact O-N 3.32Å; L226-Q229 PolarHBondContact O-N 2.81Å; N227-Q229 VanDerWaalsContact C-N 3.32Å; N227-Q229 PolarHBondContact O-N 2.85Å; Q229-Y232 PolarHBondContact O-N 3.2Å; Q229-L233 PolarHBondContact O-N 3.43Å |
| 230 | M | 94.9 | Very high | 94.8 | Very high | 106 Ų | 106 | 105 Ų | 105 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 178.3 | -176.7 | 157.8 | 48.5 | 0 | 0 | 111.6 | L226 N227 Y232 L233 L234 | L226-M230 VanDerWaalsContact O-CB 3.31Å; L226-M230 WeakPolarHBondContact O-CB 3.45Å; L226-M230 PolarHBondContact O-N 3.39Å; N227-M230 PolarHBondContact O-N 3.21Å; M230-Y232 VanDerWaalsContact C-N 3.35Å; M230-Y232 PolarHBondContact O-N 3.12Å; M230-L233 WeakPolarHBondContact O-CB 3.42Å; M230-L233 PolarHBondContact O-N 3.47Å; M230-L233 VanDerWaalsContact O-N 3.12Å; M230-L234 HydrophobicContact CG-CD1 4.27Å; M230-L234 WeakPolarHBondContact O-CG 3.32Å; M230-L234 PolarHBondContact O-N 3.04Å |
| 231 | E | 95.1 | Very high | 94 | Very high | 124 Ų | 124 | 101.3 Ų | 101.3 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.4 | -47.9 | 172.9 | -74.6 | 168.4 | -171.9 | 0 | 0 | 111.9 | N227 L233 L234 Q235 | N227-E231 WeakPolarHBondContact O-CG 2.91Å; N227-E231 PolarHBondContact O-N 2.79Å; E231-L233 VanDerWaalsContact C-N 3.31Å; E231-L233 PolarHBondContact O-N 3.41Å; E231-L234 PolarHBondContact O-N 2.92Å; E231-Q235 WeakPolarHBondContact O-CB 3.47Å; E231-Q235 PolarHBondContact O-N 2.89Å |
| 232 | Y | 95.8 | Very high | 94 | Very high | 52 Ų | 52 | 97.1 Ų | 97.1 | 20% | 0.204 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 176.6 | 172.8 | -107.4 | 0 | 0 | 0 | 112.7 | V211 I214 L215 V228 Q229 M230 K236 | V211-Y232 HydrophobicContact CG1-CE1 4.06Å; V211-Y232 HydrophobicContact CG1-CE2 4.36Å; V211-Y232 WeakPolarHBondContact CG1-OH 3.25Å; V211-Y232 HydrophobicContact CG2-CE2 3.79Å; V211-Y232 WeakPolarHBondContact CG2-OH 3.43Å; I214-Y232 HydrophobicContact CG2-CG 4.29Å; L215-Y232 HydrophobicContact CD2-CD1 4.01Å; L215-Y232 HydrophobicContact CD2-CE1 4.43Å; V228-Y232 PolarHBondContact O-N 3.42Å; Q229-Y232 PolarHBondContact O-N 3.2Å; M230-Y232 VanDerWaalsContact C-N 3.35Å; M230-Y232 PolarHBondContact O-N 3.12Å; Y232-K236 WeakPolarHBondContact O-CB 3.31Å; Y232-K236 PolarHBondContact O-N 2.97Å |
| 233 | L | 95.2 | Very high | 94 | Very high | 106 Ų | 106 | 100.1 Ų | 100.1 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | 177.4 | -149.4 | 97.2 | 0 | 0 | 0 | 111.5 | Q229 M230 E231 K236 I237 | Q229-L233 PolarHBondContact O-N 3.43Å; M230-L233 WeakPolarHBondContact O-CB 3.42Å; M230-L233 PolarHBondContact O-N 3.47Å; M230-L233 VanDerWaalsContact O-N 3.12Å; E231-L233 VanDerWaalsContact C-N 3.31Å; E231-L233 PolarHBondContact O-N 3.41Å; L233-K236 PolarHBondContact O-N 2.97Å; L233-I237 HydrophobicContact CD2-CD1 4.36Å; L233-I237 WeakPolarHBondContact O-CG1 3.32Å; L233-I237 PolarHBondContact O-N 3.01Å |
| 234 | L | 96.2 | Very high | 94 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.8 | -70.1 | 172.9 | 0 | 0 | 0 | 111 | M230 E231 K236 I237 Q238 | M230-L234 HydrophobicContact CG-CD1 4.27Å; M230-L234 WeakPolarHBondContact O-CG 3.32Å; M230-L234 PolarHBondContact O-N 3.04Å; E231-L234 PolarHBondContact O-N 2.92Å; L234-K236 VanDerWaalsContact C-N 3.29Å; L234-K236 PolarHBondContact O-N 2.91Å; L234-I237 PolarHBondContact O-N 2.96Å; L234-I237 VanDerWaalsContact O-N 3.11Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.11Å |
| 235 | Q | 96 | Very high | 93.8 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 174.1 | -177.8 | 179.1 | -4.1 | 0 | 0 | 111.2 | E231 I237 Q238 E239 | E231-Q235 WeakPolarHBondContact O-CB 3.47Å; E231-Q235 PolarHBondContact O-N 2.89Å; Q235-I237 VanDerWaalsContact C-N 3.29Å; Q235-I237 PolarHBondContact O-N 2.79Å; Q235-Q238 PolarHBondContact O-N 3.1Å; Q235-E239 HydrophobicContact CG-CG 4.4Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.47Å; Q235-E239 PolarHBondContact NE2-OE1 2.83Å; Q235-E239 WeakPolarHBondContact O-CB 3.36Å; Q235-E239 WeakPolarHBondContact O-CG 3.35Å; Q235-E239 PolarHBondContact O-N 2.8Å |
| 236 | K | 95.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 103.3 Ų | 103.3 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -26.9 | 179.2 | -170.5 | 173.6 | -175.2 | -179.6 | 0 | 113.6 | Y232 L233 L234 K240 | Y232-K236 WeakPolarHBondContact O-CB 3.31Å; Y232-K236 PolarHBondContact O-N 2.97Å; L233-K236 PolarHBondContact O-N 2.97Å; L234-K236 VanDerWaalsContact C-N 3.29Å; L234-K236 PolarHBondContact O-N 2.91Å; K236-K240 WeakPolarHBondContact O-CB 3.46Å; K236-K240 WeakPolarHBondContact O-CD 3.48Å; K236-K240 WeakPolarHBondContact O-CG 3.18Å |
| 237 | I | 95.9 | Very high | 93.7 | Very high | 92 Ų | 92 | 102.6 Ų | 102.6 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.6 | -44.7 | 173.8 | -68.8 | 165.3 | 0 | 0 | 0 | 109.7 | L233 L234 Q235 K240 S241 | L233-I237 HydrophobicContact CD2-CD1 4.36Å; L233-I237 WeakPolarHBondContact O-CG1 3.32Å; L233-I237 PolarHBondContact O-N 3.01Å; L234-I237 PolarHBondContact O-N 2.96Å; L234-I237 VanDerWaalsContact O-N 3.11Å; Q235-I237 VanDerWaalsContact C-N 3.29Å; Q235-I237 PolarHBondContact O-N 2.79Å; I237-K240 PolarHBondContact O-N 3.14Å; I237-S241 PolarHBondContact O-N 2.88Å; I237-S241 VanDerWaalsContact O-N 3.1Å; I237-S241 PolarHBondContact O-OG 3.34Å |
| 238 | Q | 95.7 | Very high | 93.7 | Very high | 146 Ų | 146 | 102.6 Ų | 102.6 | 68% | 0.682 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 176.8 | -71.8 | 175.6 | -14.6 | 0 | 0 | 112.2 | L234 Q235 K240 S241 | L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.11Å; Q235-Q238 PolarHBondContact O-N 3.1Å; Q238-K240 PolarHBondContact O-N 3.33Å; Q238-S241 PolarHBondContact O-N 2.97Å |
| 239 | E | 93.8 | Very high | 93.5 | Very high | 136 Ų | 136 | 108.6 Ų | 108.6 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19 | 177.1 | -73.7 | 174.6 | -173.2 | 0 | 0 | 113.8 | Q235 | Q235-E239 HydrophobicContact CG-CG 4.4Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.47Å; Q235-E239 PolarHBondContact NE2-OE1 2.83Å; Q235-E239 WeakPolarHBondContact O-CB 3.36Å; Q235-E239 WeakPolarHBondContact O-CG 3.35Å; Q235-E239 PolarHBondContact O-N 2.8Å |
| 240 | K | 89.9 | Confident | 93.5 | Very high | 159 Ų | 159 | 112.9 Ų | 112.9 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -13.9 | -179.2 | -76.4 | -180 | 176.4 | -169.9 | 0 | 113.9 | K236 I237 Q238 | K236-K240 WeakPolarHBondContact O-CB 3.46Å; K236-K240 WeakPolarHBondContact O-CD 3.48Å; K236-K240 WeakPolarHBondContact O-CG 3.18Å; I237-K240 PolarHBondContact O-N 3.14Å; Q238-K240 PolarHBondContact O-N 3.33Å |
| 241 | S | 77.3 | Confident | 93.3 | Very high | 146 Ų | 146 | 113.5 Ų | 113.5 | 100% | 1.021 | 57% | 0.565 | S | S | * | * | trans | -87.4 | 0 | 177.8 | -55.8 | 0 | 0 | 0 | 0 | 109 | I237 Q238 | I237-S241 PolarHBondContact O-N 2.88Å; I237-S241 VanDerWaalsContact O-N 3.1Å; I237-S241 PolarHBondContact O-OG 3.34Å; Q238-S241 PolarHBondContact O-N 2.97Å |
Retrieved 241 of 241 residues in 33 ms
(Link to these results)