| 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 | 60.4 | Low | 52.3 | Low | 229 Ų | 229 | 157.7 Ų | 157.7 | 100% | 1.128 | 83% | 0.833 | S | S | * | * | 0 | 93.6 | 0 | -84.2 | -81.5 | 162.8 | 0 | 0 | 107.9 | |||||
| 2 | Q | 50.8 | Low | 52.6 | Low | 169 Ų | 169 | 162.1 Ų | 162.1 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | trans | -175.1 | 107.8 | 166.3 | -127.1 | 75.3 | 75.7 | 0 | 0 | 110.5 | ||||
| 3 | H | 46.8 | Very low | 53.3 | Low | 160 Ų | 160 | 157.2 Ų | 157.2 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | 51.8 | 170.1 | 145.3 | -53.8 | -52 | 0 | 0 | 0 | 123.9 | ||||
| 4 | P | 57 | Low | 53.6 | Low | 111 Ų | 111 | 154.3 Ų | 154.3 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | -139.7 | 172.9 | -54.7 | 40.9 | -23.7 | 0 | 0 | 0 | 115.3 | |||||
| 5 | L | 57.6 | Low | 53.4 | Low | 171 Ų | 171 | 154.7 Ų | 154.7 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | 13.8 | 129.9 | 158.3 | -53.3 | 176.1 | 0 | 0 | 0 | 123.3 | ||||
| 6 | D | 52.9 | Low | 53.3 | Low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -159.5 | 102 | 140.2 | -132.7 | -16.3 | 0 | 0 | 0 | 109.2 | ||||
| 7 | M | 52 | Low | 52.9 | Low | 178 Ų | 178 | 153.5 Ų | 153.5 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | 60.2 | 107.7 | 97.6 | -153.4 | 175.8 | -99.3 | 0 | 0 | 115.8 | |||||
| 8 | G | 50.3 | Low | 52.9 | Low | 68 Ų | 68 | 150 Ų | 150 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | 57.6 | 92.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 9 | A | 47.1 | Very low | 52.5 | Low | 97 Ų | 97 | 149.1 Ų | 149.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -121.7 | 88.4 | 151 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y11 | A9-Y11 PolarHBondContact O-N 3Š| ||
| 10 | H | 51.3 | Low | 52.6 | Low | 177 Ų | 177 | 148.7 Ų | 148.7 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | -59 | 105.3 | 164.5 | -79.4 | -88 | 0 | 0 | 0 | 108.3 | Y12 | H10-Y12 PolarHBondContact O-N 2.97Š| ||
| 11 | Y | 49.6 | Very low | 52.6 | Low | 222 Ų | 222 | 152 Ų | 152 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | trans | -72.7 | 96.4 | 174.9 | -138.9 | -93.1 | 0 | 0 | 0 | 108.2 | A9 P13 | A9-Y11 PolarHBondContact O-N 3Å; Y11-P13 WeakPolarHBondContact O-CD 3.16Å | ||
| 12 | Y | 55.4 | Low | 52 | Low | 210 Ų | 210 | 145.4 Ų | 145.4 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.5 | 167.6 | -109.3 | -92.6 | 0 | 0 | 0 | 108.3 | H10 | H10-Y12 PolarHBondContact O-N 2.97Š|
| 13 | P | 62.1 | Low | 52 | Low | 98 Ų | 98 | 144 Ų | 144 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142 | 170.9 | 26.9 | -30.7 | 0 | 0 | 0 | 109.9 | Y11 D15 | Y11-P13 WeakPolarHBondContact O-CD 3.16Å; P13-D15 PolarHBondContact O-N 3.28Å |
| 14 | P | 57.5 | Low | 52.4 | Low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 130.2 | -178.3 | 25.7 | -32.6 | 0 | 0 | 0 | 111 | V16 | P14-V16 PolarHBondContact O-N 3.48Š|
| 15 | D | 50.2 | Low | 52.2 | Low | 160 Ų | 160 | 152.6 Ų | 152.6 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -53.4 | 112.5 | 175.1 | -146.9 | -30.4 | 0 | 0 | 0 | 110.1 | P13 Q17 | P13-D15 PolarHBondContact O-N 3.28Å; D15-Q17 PolarHBondContact O-N 3.08Å | ||
| 16 | V | 52.3 | Low | 52.4 | Low | 128 Ų | 128 | 151.5 Ų | 151.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -75.9 | 94.7 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | P14 P18 | P14-V16 PolarHBondContact O-N 3.48Å; V16-P18 WeakPolarHBondContact O-CD 3.02Å; V16-P18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | Q | 46.8 | Very low | 52.8 | Low | 162 Ų | 162 | 148.4 Ų | 148.4 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | trans | -47.1 | 116.8 | 165.4 | -101 | -111.4 | -67.3 | 0 | 0 | 109.5 | D15 D19 | D15-Q17 PolarHBondContact O-N 3.08Å; Q17-D19 PolarHBondContact O-N 3.03Å; Q17-D19 VanDerWaalsContact O-N 3.08Å | ||
| 18 | P | 52.7 | Low | 53.1 | Low | 90 Ų | 90 | 149.8 Ų | 149.8 | 58% | 0.584 | 74% | 0.742 | S | S | * | * | trans | -73.7 | 108.4 | 178.7 | 27.6 | -30.4 | 0 | 0 | 0 | 108.7 | V16 H20 | V16-P18 WeakPolarHBondContact O-CD 3.02Å; V16-P18 VanDerWaalsContact O-N 3.13Å; P18-H20 PolarHBondContact O-N 3.16Å | ||
| 19 | D | 44.3 | Very low | 53.8 | Low | 132 Ų | 132 | 151 Ų | 151 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -53.8 | 104.8 | 169.6 | -89.4 | -47.5 | 0 | 0 | 0 | 110.2 | Q17 R21 T22 | Q17-D19 PolarHBondContact O-N 3.03Å; Q17-D19 VanDerWaalsContact O-N 3.08Å; D19-R21 PolarHBondContact O-N 3.08Å; D19-T22 PolarHBondContact O-N 3.17Å | ||
| 20 | H | 55.3 | Low | 54.4 | Low | 141 Ų | 141 | 153.1 Ų | 153.1 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -60.9 | 0.2 | 172.1 | -60.3 | -61.3 | 0 | 0 | 0 | 113.6 | P18 T22 | P18-H20 PolarHBondContact O-N 3.16Å; H20-T22 VanDerWaalsContact C-N 3.26Å; H20-T22 PolarHBondContact O-N 2.95Å |
| 21 | R | 52.6 | Low | 54.9 | Low | 220 Ų | 220 | 151.1 Ų | 151.1 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -73.5 | -16.8 | 178.1 | -165.1 | 169.1 | 176.6 | 171.5 | -2.3 | 113.2 | D19 H23 | D19-R21 PolarHBondContact O-N 3.08Å; R21-H23 VanDerWaalsContact C-N 3.34Å |
| 22 | T | 47.3 | Very low | 55.3 | Low | 89 Ų | 89 | 149 Ų | 149 | 55% | 0.546 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -84 | -7.3 | 179.1 | -48 | 0 | 0 | 0 | 0 | 113.1 | D19 H20 R24 Y25 R26 | D19-T22 PolarHBondContact O-N 3.17Å; H20-T22 VanDerWaalsContact C-N 3.26Å; H20-T22 PolarHBondContact O-N 2.95Å; T22-R24 PolarHBondContact O-N 2.78Å; T22-Y25 PolarHBondContact O-N 3.23Å; T22-R26 HydrophobicContact CG2-CG 4.09Å |
| 23 | H | 50.7 | Low | 55.5 | Low | 140 Ų | 140 | 145.9 Ų | 145.9 | 65% | 0.648 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -64.7 | -12.2 | -179.3 | -101.9 | -73.8 | 0 | 0 | 0 | 115.4 | R21 Y25 | R21-H23 VanDerWaalsContact C-N 3.34Å; H23-Y25 VanDerWaalsContact C-N 3.3Å; H23-Y25 PolarHBondContact O-N 2.9Å |
| 24 | R | 55.7 | Low | 55.3 | Low | 235 Ų | 235 | 148.6 Ų | 148.6 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -82.4 | -2.1 | -179 | -103.1 | -167.5 | -82.5 | 158.1 | -8.2 | 114.8 | T22 | T22-R24 PolarHBondContact O-N 2.78Š|
| 25 | Y | 53.3 | Low | 55.3 | Low | 216 Ų | 216 | 148.4 Ų | 148.4 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -152.5 | 46 | 176.6 | -150.2 | -96.4 | 0 | 0 | 0 | 113.7 | T22 H23 | T22-Y25 PolarHBondContact O-N 3.23Å; H23-Y25 VanDerWaalsContact C-N 3.3Å; H23-Y25 PolarHBondContact O-N 2.9Å |
| 26 | R | 61.7 | Low | 55.3 | Low | 149 Ų | 149 | 148.3 Ų | 148.3 | 56% | 0.562 | 72% | 0.717 | S | S | * | * | trans | -145 | 59.7 | 177.2 | -73.4 | -66.5 | -179.8 | -159.1 | -1.2 | 112.9 | T22 M29 | T22-R26 HydrophobicContact CG2-CG 4.09Å; R26-M29 PolarHBondContact NH1-SD 3.37Å | ||
| 27 | S | 60.3 | Low | 55.2 | Low | 88 Ų | 88 | 150.3 Ų | 150.3 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -146.9 | 29.3 | 165.4 | -47.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 28 | F | 58.2 | Low | 55.5 | Low | 207 Ų | 207 | 146.8 Ų | 146.8 | 91% | 0.908 | 71% | 0.709 | S | S | * | * | trans | -133.6 | 24.8 | 167.1 | -59.8 | -80.4 | 0 | 0 | 0 | 111.1 | I30 | F28-I30 PolarHBondContact O-N 3.2Š| ||
| 29 | M | 64.5 | Low | 54.9 | Low | 93 Ų | 93 | 149.6 Ų | 149.6 | 46% | 0.458 | 71% | 0.714 | S | S | . | * | trans | -80.1 | 116.6 | 164.8 | -66.2 | -97.1 | -75.9 | 0 | 0 | 105.8 | R26 E31 | R26-M29 PolarHBondContact NH1-SD 3.37Å; M29-E31 WeakPolarHBondContact CE-OE2 3.11Å; M29-E31 PolarHBondContact O-N 2.99Å | ||
| 30 | I | 61.2 | Low | 54.9 | Low | 141 Ų | 141 | 152.8 Ų | 152.8 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -56.7 | -8 | -178.4 | -68.3 | 157 | 0 | 0 | 0 | 112.9 | F28 E32 I33 | F28-I30 PolarHBondContact O-N 3.2Å; I30-E32 VanDerWaalsContact C-N 3.32Å; I30-E32 PolarHBondContact O-N 3.19Å; I30-I33 PolarHBondContact O-N 3.43Å |
| 31 | E | 60.4 | Low | 54.4 | Low | 136 Ų | 136 | 155 Ų | 155 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -72.5 | -13.8 | -174.7 | -66 | 173.8 | 172 | 0 | 0 | 114.8 | M29 I33 | M29-E31 WeakPolarHBondContact CE-OE2 3.11Å; M29-E31 PolarHBondContact O-N 2.99Å; E31-I33 VanDerWaalsContact C-N 3.28Å |
| 32 | E | 58.6 | Low | 53.8 | Low | 177 Ų | 177 | 151.6 Ų | 151.6 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -77.5 | -13.7 | 172.5 | -162.7 | 174.5 | 179.8 | 0 | 0 | 112.7 | I30 | I30-E32 VanDerWaalsContact C-N 3.32Å; I30-E32 PolarHBondContact O-N 3.19Å |
| 33 | I | 59.7 | Low | 53.5 | Low | 145 Ų | 145 | 152.7 Ų | 152.7 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -89 | -19.5 | 177.6 | -49.4 | 174.6 | 0 | 0 | 0 | 111.4 | I30 E31 | I30-I33 PolarHBondContact O-N 3.43Å; E31-I33 VanDerWaalsContact C-N 3.28Å |
| 34 | L | 58.3 | Low | 53 | Low | 154 Ų | 154 | 150.6 Ų | 150.6 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -118.6 | 31 | -170.1 | -142.7 | 82.7 | 0 | 0 | 0 | 113.5 | ||
| 35 | T | 58.1 | Low | 52.6 | Low | 113 Ų | 113 | 145.2 Ų | 145.2 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | trans | -106 | 86.9 | 163.2 | -63.5 | 0 | 0 | 0 | 0 | 107.9 | H37 | T35-H37 PolarHBondContact O-N 3.3Š| ||
| 36 | D | 49.5 | Very low | 52.6 | Low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.5 | 170 | -132.7 | -87.3 | 0 | 0 | 0 | 108.3 | ||
| 37 | H | 49.7 | Very low | 52.4 | Low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 119.4 | 173.2 | -142.7 | -56.5 | 0 | 0 | 0 | 107.7 | T35 | T35-H37 PolarHBondContact O-N 3.3Š|
| 38 | P | 54.1 | Low | 52.1 | Low | 89 Ų | 89 | 138.8 Ų | 138.8 | 58% | 0.578 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 149.7 | -168.3 | 35.5 | -36.4 | 0 | 0 | 0 | 112 | ||
| 39 | E | 39.3 | Very low | 51.9 | Low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | 62.4 | 99.9 | 162.8 | -46 | -54.8 | 117.6 | 0 | 0 | 119 | ||||
| 40 | H | 44 | Very low | 51.6 | Low | 199 Ų | 199 | 139.1 Ų | 139.1 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | -158.3 | 112.7 | 124 | -92.6 | -64.1 | 0 | 0 | 0 | 110.9 | |||||
| 41 | K | 44.6 | Very low | 51.5 | Low | 189 Ų | 189 | 138.9 Ų | 138.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -68.8 | 119.8 | 172.6 | -71.5 | 170 | 176.3 | 171.2 | 0 | 111 | ||||
| 42 | T | 41.2 | Very low | 51.3 | Low | 147 Ų | 147 | 141.9 Ų | 141.9 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -148.9 | 145.2 | 138.5 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 43 | S | 40.5 | Very low | 51.3 | Low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -80 | 136.1 | -163.2 | 55.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 44 | A | 39.8 | Very low | 51.7 | Low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | 56.7 | 158.6 | 145 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 45 | P | 47.8 | Very low | 51.8 | Low | 122 Ų | 122 | 131.5 Ų | 131.5 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | cis | -120.2 | 156.1 | 6.1 | 37.6 | -22.3 | 0 | 0 | 0 | 115.3 | ||||
| 46 | A | 53.7 | Low | 51.8 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -51.9 | 135.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 47 | G | 56.2 | Low | 52.3 | Low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | 157.1 | -19.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 48 | E | 55.1 | Low | 53 | Low | 137 Ų | 137 | 126.7 Ų | 126.7 | 64% | 0.64 | 72% | 0.724 | S | S | * | * | trans | -108.4 | 8.2 | -163.5 | -72.7 | -137.8 | 132.2 | 0 | 0 | 117.7 | L50 K51 | E48-L50 PolarHBondContact O-N 2.85Å; E48-K51 IonicContact OE1-NZ 2.86Å; E48-K51 PolarHBondContact OE1-NZ 3.24Å | ||
| 49 | L | 54.6 | Low | 53.1 | Low | 171 Ų | 171 | 126 Ų | 126 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 16 | -178.4 | -144 | 73.5 | 0 | 0 | 0 | 115.8 | ||
| 50 | L | 58 | Low | 53.7 | Low | 135 Ų | 135 | 122.2 Ų | 122.2 | 71% | 0.707 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 4.6 | 174.4 | -68.7 | 175.5 | 0 | 0 | 0 | 114.2 | E48 F52 V54 | E48-L50 PolarHBondContact O-N 2.85Å; L50-F52 VanDerWaalsContact C-N 3.35Å; L50-F52 PolarHBondContact O-N 2.86Å; L50-V54 HydrophobicContact CB-CG2 4.26Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.47Å; L50-V54 PolarHBondContact O-N 2.73Å |
| 51 | K | 57.9 | Low | 54.5 | Low | 137 Ų | 137 | 123.4 Ų | 123.4 | 60% | 0.596 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -77.1 | -16.6 | -170.7 | -149.4 | 172.2 | -173.1 | 175.6 | 0 | 114.7 | E48 | E48-K51 IonicContact OE1-NZ 2.86Å; E48-K51 PolarHBondContact OE1-NZ 3.24Å |
| 52 | F | 56.9 | Low | 54.9 | Low | 199 Ų | 199 | 119.9 Ų | 119.9 | 87% | 0.873 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -81.7 | -27.9 | 177.1 | -67.4 | -75.3 | 0 | 0 | 0 | 113.5 | L50 | L50-F52 VanDerWaalsContact C-N 3.35Å; L50-F52 PolarHBondContact O-N 2.86Å |
| 53 | G | 58.5 | Low | 55.1 | Low | 50 Ų | 50 | 123.2 Ų | 123.2 | 52% | 0.515 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -96.3 | -35.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A56 L57 | G53-A56 PolarHBondContact O-N 2.73Å; G53-L57 PolarHBondContact O-N 3.14Å |
| 54 | V | 67.5 | Low | 55.4 | Low | 72 Ų | 72 | 124.7 Ų | 124.7 | 44% | 0.436 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -72.9 | -36 | -172.6 | 175.4 | 0 | 0 | 0 | 0 | 112 | L50 A56 L57 L58 | L50-V54 HydrophobicContact CB-CG2 4.26Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.47Å; L50-V54 PolarHBondContact O-N 2.73Å; V54-A56 VanDerWaalsContact C-N 3.32Å; V54-A56 PolarHBondContact O-N 3.03Å; V54-L57 PolarHBondContact O-N 3.49Å; V54-L58 HydrophobicContact CG1-CD1 3.56Å; V54-L58 HydrophobicContact CG1-CG 4.23Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 3.46Å |
| 55 | Q | 59.8 | Low | 56 | Low | 135 Ų | 135 | 125.4 Ų | 125.4 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -65.6 | -33.8 | 176.8 | -168.1 | 68.1 | 11.7 | 0 | 0 | 112.2 | S59 | Q55-S59 WeakPolarHBondContact O-CB 3.24Å; Q55-S59 PolarHBondContact O-N 2.91Å; Q55-S59 PolarHBondContact O-OG 3.36Å |
| 56 | A | 58.3 | Low | 55.7 | Low | 64 Ų | 64 | 125.4 Ų | 125.4 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -71 | -33.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G53 V54 S59 A60 | G53-A56 PolarHBondContact O-N 2.73Å; V54-A56 VanDerWaalsContact C-N 3.32Å; V54-A56 PolarHBondContact O-N 3.03Å; A56-S59 PolarHBondContact O-OG 3.47Å; A56-A60 PolarHBondContact O-N 2.92Å |
| 57 | L | 60 | Low | 55.1 | Low | 140 Ų | 140 | 128 Ų | 128 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -78.2 | -37.1 | 178.6 | -167.8 | 62 | 0 | 0 | 0 | 112.4 | G53 V54 | G53-L57 PolarHBondContact O-N 3.14Å; V54-L57 PolarHBondContact O-N 3.49Å |
| 58 | L | 64.6 | Low | 54.2 | Low | 136 Ų | 136 | 130.3 Ų | 130.3 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79.9 | -21.8 | 177.2 | -67.6 | 170.3 | 0 | 0 | 0 | 113.3 | V54 | V54-L58 HydrophobicContact CG1-CD1 3.56Å; V54-L58 HydrophobicContact CG1-CG 4.23Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 3.46Å |
| 59 | S | 56.2 | Low | 53.8 | Low | 76 Ų | 76 | 131.9 Ų | 131.9 | 53% | 0.531 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -86.3 | -6.1 | 173.9 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | Q55 A56 R61 | Q55-S59 WeakPolarHBondContact O-CB 3.24Å; Q55-S59 PolarHBondContact O-N 2.91Å; Q55-S59 PolarHBondContact O-OG 3.36Å; A56-S59 PolarHBondContact O-OG 3.47Å; S59-R61 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact O-N 3.36Å |
| 60 | A | 53.1 | Low | 53 | Low | 68 Ų | 68 | 132.7 Ų | 132.7 | 56% | 0.562 | 70% | 0.699 | S | S | * | * | trans | -69.8 | 88.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.2 | A56 | A56-A60 PolarHBondContact O-N 2.92Š| ||
| 61 | R | 60.2 | Low | 52.4 | Low | 224 Ų | 224 | 131 Ų | 131 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -53.6 | 130.4 | 171 | -78.1 | -176 | 157.8 | 143 | -3.1 | 109.1 | S59 F63 | S59-R61 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact O-N 3.36Å; R61-F63 PolarHBondContact O-N 3.02Å | ||
| 62 | P | 53.9 | Low | 51.5 | Low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | trans | -59 | 128.5 | 166.9 | 23.7 | -29.6 | 0 | 0 | 0 | 107.6 | H64 | P62-H64 PolarHBondContact O-N 2.96Š| ||
| 63 | F | 44.3 | Very low | 51.1 | Low | 217 Ų | 217 | 131 Ų | 131 | 95% | 0.952 | 71% | 0.714 | S | S | * | * | trans | -60.9 | 95 | 166.1 | -91 | -91.9 | 0 | 0 | 0 | 107.4 | R61 S65 | R61-F63 PolarHBondContact O-N 3.02Å; F63-S65 PolarHBondContact O-N 3.1Å | ||
| 64 | H | 46.8 | Very low | 50.7 | Low | 143 Ų | 143 | 132.4 Ų | 132.4 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | trans | -79.5 | 98.5 | 173 | -164.1 | 48.4 | 0 | 0 | 0 | 106.9 | P62 Q66 | P62-H64 PolarHBondContact O-N 2.96Å; H64-Q66 WeakPolarHBondContact CD2-CG 3.41Å; H64-Q66 PolarHBondContact CE1-NE2 2.91Å; H64-Q66 WeakPolarHBondContact NE2-CG 3.29Å; H64-Q66 PolarHBondContact NE2-NE2 3.21Å; H64-Q66 VanDerWaalsContact NE2-NE2 3.16Å; H64-Q66 PolarHBondContact O-N 3.46Å | ||
| 65 | S | 51.7 | Low | 49.8 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | trans | -71 | 81.8 | 167.2 | 55.6 | 0 | 0 | 0 | 0 | 109 | F63 | F63-S65 PolarHBondContact O-N 3.1Š| ||
| 66 | Q | 41.3 | Very low | 49.5 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 57% | 0.57 | 75% | 0.746 | S | S | * | * | trans | -96.4 | 91.9 | 163.1 | -72.1 | -71.7 | -40 | 0 | 0 | 108 | H64 V68 | H64-Q66 WeakPolarHBondContact CD2-CG 3.41Å; H64-Q66 PolarHBondContact CE1-NE2 2.91Å; H64-Q66 WeakPolarHBondContact NE2-CG 3.29Å; H64-Q66 PolarHBondContact NE2-NE2 3.21Å; H64-Q66 VanDerWaalsContact NE2-NE2 3.16Å; H64-Q66 PolarHBondContact O-N 3.46Å; Q66-V68 VanDerWaalsContact C-N 3.26Å; Q66-V68 PolarHBondContact O-N 3.39Å; Q66-V68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | L | 41.1 | Very low | 49.2 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -66.1 | 96.9 | 151.1 | -73 | 165.5 | 0 | 0 | 0 | 106.3 | L69 | L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.22Å | ||
| 68 | V | 38.6 | Very low | 48.4 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -67.6 | 97.7 | 165 | 172.2 | 0 | 0 | 0 | 0 | 106.8 | Q66 K70 | Q66-V68 VanDerWaalsContact C-N 3.26Å; Q66-V68 PolarHBondContact O-N 3.39Å; Q66-V68 VanDerWaalsContact O-N 3.08Å; V68-K70 VanDerWaalsContact C-N 3.26Å; V68-K70 HydrophobicContact CG1-CB 4.23Å; V68-K70 PolarHBondContact O-N 3.31Å; V68-K70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | L | 46 | Very low | 47.8 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -71.6 | 89.9 | 157.1 | -75.8 | 170.3 | 0 | 0 | 0 | 106.7 | L67 A71 | L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.22Å; L69-A71 PolarHBondContact O-N 3.03Å | ||
| 70 | K | 37.9 | Very low | 47.6 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -86.3 | 101.6 | 156 | -132.5 | -162 | 175.9 | 179.9 | 0 | 107.1 | V68 D72 | V68-K70 VanDerWaalsContact C-N 3.26Å; V68-K70 HydrophobicContact CG1-CB 4.23Å; V68-K70 PolarHBondContact O-N 3.31Å; V68-K70 VanDerWaalsContact O-N 3.08Å; K70-D72 PolarHBondContact O-N 3.48Å | ||
| 71 | A | 45.5 | Very low | 47.4 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -63.7 | 114.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L69 | L69-A71 PolarHBondContact O-N 3.03Š| ||
| 72 | D | 39.2 | Very low | 46.9 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -138.2 | 132.5 | 150.6 | -162.8 | -129.5 | 0 | 0 | 0 | 107.7 | K70 | K70-D72 PolarHBondContact O-N 3.48Š| ||
| 73 | Q | 47.7 | Very low | 47.2 | Very low | 180 Ų | 180 | 146.1 Ų | 146.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 155.5 | -175.8 | -81.3 | -168.6 | 48.7 | 0 | 0 | 111.6 | ||||
| 74 | A | 51.1 | Low | 47.2 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | 107.2 | 128.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 75 | N | 48.3 | Very low | 47 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 86.4 | 106.2 | 157.7 | -66 | -66.4 | 0 | 0 | 0 | 119.3 | ||||
| 76 | L | 54.3 | Low | 46.5 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 96.5 | 138.2 | -65.2 | 169.3 | 0 | 0 | 0 | 117 | K78 | L76-K78 PolarHBondContact O-N 3Š| ||
| 77 | L | 50.6 | Low | 46.4 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -53.3 | 104.5 | 161.1 | -59.2 | 173.7 | 0 | 0 | 0 | 110.2 | F79 | L77-F79 HydrophobicContact CB-CE2 4.45Å; L77-F79 HydrophobicContact CD2-CE2 4.35Å | ||
| 78 | K | 44.7 | Very low | 46.6 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -121.6 | 86.7 | 165.3 | -162.4 | 169.4 | -179.4 | 78 | 0 | 109.4 | L76 | L76-K78 PolarHBondContact O-N 3Š| ||
| 79 | F | 50.8 | Low | 46.6 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -69.6 | 134 | 163.6 | -70.1 | -85.5 | 0 | 0 | 0 | 109.2 | L77 L81 | L77-F79 HydrophobicContact CB-CE2 4.45Å; L77-F79 HydrophobicContact CD2-CE2 4.35Å; F79-L81 VanDerWaalsContact C-N 3.26Å; F79-L81 HydrophobicContact CB-CD1 4.45Å; F79-L81 PolarHBondContact O-N 2.67Å | ||
| 80 | P | 53.1 | Low | 46.6 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -75 | 85.2 | 164.5 | 30.9 | -31.1 | 0 | 0 | 0 | 108.6 | ||||
| 81 | L | 48.8 | Very low | 46.8 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 126 | 148.8 | -101.8 | 74.4 | 0 | 0 | 0 | 106.4 | F79 P83 | F79-L81 VanDerWaalsContact C-N 3.26Å; F79-L81 HydrophobicContact CB-CD1 4.45Å; F79-L81 PolarHBondContact O-N 2.67Å; L81-P83 WeakPolarHBondContact O-CD 3.23Å | ||
| 82 | S | 50.1 | Low | 47.1 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -76.6 | 114.8 | 163 | -60.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 83 | P | 58.8 | Low | 47.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -89.2 | 145.9 | 154.4 | 36.2 | -28.3 | 0 | 0 | 0 | 108 | L81 | L81-P83 WeakPolarHBondContact O-CD 3.23Š| ||
| 84 | L | 44.3 | Very low | 47.2 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | -179.8 | 110.3 | 122.4 | -88.3 | 174.1 | 0 | 0 | 0 | 108.3 | |||||
| 85 | S | 42.3 | Very low | 47.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -82.2 | 140.6 | 164.7 | 161.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 86 | C | 41.2 | Very low | 47.1 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | -148.1 | 95 | 153.8 | -75 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 87 | T | 39.7 | Very low | 46.9 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | 88.4 | 119.8 | 95.2 | 44.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 88 | L | 46.3 | Very low | 46.4 | Very low | 179 Ų | 179 | 132.2 Ų | 132.2 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -32.3 | 142.6 | 159.7 | -76.5 | 126.3 | 0 | 0 | 0 | 115.7 | ||||
| 89 | G | 37.3 | Very low | 46.1 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -164.1 | 94.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | S | 47.7 | Very low | 45.9 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -68.9 | 137.1 | 160.5 | -71.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 91 | A | 41.1 | Very low | 45.8 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | trans | -178 | 122.8 | 138 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 92 | L | 51.8 | Low | 45.5 | Very low | 183 Ų | 183 | 121.1 Ų | 121.1 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | -1.2 | 130.4 | 146.3 | -54.6 | 171.1 | 0 | 0 | 0 | 117.6 | ||||
| 93 | G | 39.1 | Very low | 45.3 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -176.8 | 75.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 94 | S | 50.3 | Low | 44.8 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -91 | 137.2 | 143.9 | -68.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 95 | P | 51.9 | Low | 44.7 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | -142.4 | 131.5 | 110.4 | 30.2 | -12.7 | 0 | 0 | 0 | 113.9 | |||||
| 96 | L | 44 | Very low | 44.5 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | 38 | 100.9 | 121.7 | -145.3 | 132.9 | 0 | 0 | 0 | 116.9 | |||||
| 97 | L | 51.4 | Low | 45.2 | Very low | 181 Ų | 181 | 124.5 Ų | 124.5 | 95% | 0.948 | 82% | 0.823 | S | S | * | * | trans | -93.1 | 114 | 153.7 | -140.2 | 86.4 | 0 | 0 | 0 | 108.8 | ||||
| 98 | S | 39.4 | Very low | 45.2 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 82% | 0.823 | S | S | * | * | trans | -61.9 | 147.2 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 99 | A | 39.3 | Very low | 45 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | -52.1 | 151.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 100 | A | 45.6 | Very low | 45.3 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -164.2 | 155.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 101 | P | 51.6 | Low | 45.3 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -116.6 | 177.4 | -148 | 38.9 | -24.9 | 0 | 0 | 0 | 114.2 | ||||
| 102 | G | 43 | Very low | 45.7 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 178.6 | 88.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 103 | L | 46.3 | Very low | 45.7 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -84.7 | 144.9 | 164.8 | -91.1 | 152.3 | 0 | 0 | 0 | 110.9 | ||||
| 104 | Q | 46.5 | Very low | 46.2 | Very low | 187 Ų | 187 | 127.7 Ų | 127.7 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 169.5 | 118.5 | 151.3 | -96.6 | 171.1 | 95.6 | 0 | 0 | 106.8 | ||||
| 105 | V | 42.2 | Very low | 46 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | 51.4 | 115.7 | 48.2 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 106 | G | 38.2 | Very low | 45.8 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | -170.4 | -144.4 | 6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 107 | P | 57 | Low | 45.9 | Very low | 132 Ų | 132 | 129.8 Ų | 129.8 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | -121.9 | -180 | -77.5 | 40.7 | -30.3 | 0 | 0 | 0 | 115.8 | |||||
| 108 | A | 40.3 | Very low | 45.8 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 74.8 | 137 | 159.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 109 | S | 40.8 | Very low | 45.9 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | cis | -175.4 | 152.2 | 23.5 | -141 | 0 | 0 | 0 | 0 | 112 | ||||
| 110 | H | 43.8 | Very low | 45.7 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 83.7 | 122.6 | 155.2 | -50.1 | -59.3 | 0 | 0 | 0 | 122.3 | ||||
| 111 | H | 47 | Very low | 45.5 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | 105.5 | 88.8 | 148.2 | -174.8 | -112.1 | 0 | 0 | 0 | 118.1 | ||||
| 112 | L | 49.3 | Very low | 45.3 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -76 | 148.2 | 148 | -69.2 | 169.1 | 0 | 0 | 0 | 109.1 | ||||
| 113 | P | 51.8 | Low | 44.9 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | -134.2 | 129.7 | 123 | 30.7 | -16.5 | 0 | 0 | 0 | 111.7 | D115 | P113-D115 PolarHBondContact O-N 3.38Š| |||
| 114 | L | 50.2 | Low | 45 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -57.6 | 123.2 | 155 | -90.1 | 77.7 | 0 | 0 | 0 | 107.5 | ||||
| 115 | D | 45.5 | Very low | 44.7 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | -145.1 | 124.4 | 150.1 | -142.2 | -52.7 | 0 | 0 | 0 | 111.6 | P113 H117 | P113-D115 PolarHBondContact O-N 3.38Å; D115-H117 IonicContact OD1-CE1 2.93Å; D115-H117 PolarHBondContact OD1-CE1 2.86Å; D115-H117 IonicContact OD1-ND1 2.73Å; D115-H117 PolarHBondContact OD1-ND1 2.84Å | ||
| 116 | L | 48.5 | Very low | 44.9 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -89.9 | 98.2 | -175 | 178.7 | 73.7 | 0 | 0 | 0 | 107.8 | ||||
| 117 | H | 47 | Very low | 45.1 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -134.2 | 93 | 172.5 | -78.2 | 85 | 0 | 0 | 0 | 112.3 | D115 R119 | D115-H117 IonicContact OD1-CE1 2.93Å; D115-H117 PolarHBondContact OD1-CE1 2.86Å; D115-H117 IonicContact OD1-ND1 2.73Å; D115-H117 PolarHBondContact OD1-ND1 2.84Å; H117-R119 PolarHBondContact O-N 2.86Å | ||
| 118 | L | 49 | Very low | 44.2 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -68.1 | 108.1 | 155.8 | -106.5 | 75.1 | 0 | 0 | 0 | 109.1 | ||||
| 119 | R | 40.2 | Very low | 44.6 | Very low | 242 Ų | 242 | 141.3 Ų | 141.3 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -165.4 | 102.7 | 157.8 | -159.8 | 93.5 | 155 | -107.5 | -6.9 | 109.6 | H117 | H117-R119 PolarHBondContact O-N 2.86Š| ||
| 120 | G | 36.2 | Very low | 44.8 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -75.7 | 170.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 121 | K | 40.3 | Very low | 45.3 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -167.7 | 128.6 | 144.3 | -157.1 | 163.2 | 165.6 | -168.9 | 0 | 110.3 | ||||
| 122 | L | 49 | Very low | 45.8 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -8.4 | 131.7 | 154.2 | -106 | 123.3 | 0 | 0 | 0 | 116.6 | ||||
| 123 | E | 34.3 | Very low | 46.4 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | -168.6 | 118.6 | 126.6 | -81.8 | -44.6 | 100.3 | 0 | 0 | 107.6 | |||||
| 124 | H | 47.9 | Very low | 47 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | trans | -130 | 102.8 | 162.3 | -95.3 | 58.3 | 0 | 0 | 0 | 106.5 | ||||
| 125 | G | 39.2 | Very low | 47.7 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -59 | 142.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 126 | A | 47.1 | Very low | 49.1 | Very low | 102 Ų | 102 | 146 Ų | 146 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -71.5 | 136.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 127 | D | 42 | Very low | 50.4 | Low | 168 Ų | 168 | 149.7 Ų | 149.7 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -168 | 151.4 | 130.1 | -156 | -102.5 | 0 | 0 | 0 | 110.9 | ||||
| 128 | G | 39.7 | Very low | 52.1 | Low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | trans | 107.3 | 88.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 129 | G | 48.1 | Very low | 54 | Low | 93 Ų | 93 | 149.6 Ų | 149.6 | 96% | 0.959 | 82% | 0.816 | S | S | * | * | trans | -57.7 | 139.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 130 | G | 44.3 | Very low | 56.3 | Low | 62 Ų | 62 | 142.7 Ų | 142.7 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | trans | 178.4 | 92.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S132 | G130-S132 PolarHBondContact O-N 2.81Å; G130-S132 PolarHBondContact O-OG 3.33Å | ||
| 131 | K | 55.5 | Low | 59 | Low | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | trans | -71.5 | 61.5 | 174.8 | -37.1 | -169 | -172.7 | -171.1 | 0 | 108.8 | K133 | K131-K133 PolarHBondContact O-N 3.4Š| ||
| 132 | S | 56.8 | Low | 61.8 | Low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -68.9 | 105.2 | 172 | 43.1 | 0 | 0 | 0 | 0 | 106 | G130 K134 | G130-S132 PolarHBondContact O-N 2.81Å; G130-S132 PolarHBondContact O-OG 3.33Å; S132-K134 PolarHBondContact O-N 3.35Å | ||
| 133 | K | 62.4 | Low | 64.1 | Low | 202 Ų | 202 | 134.3 Ų | 134.3 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | trans | -43.6 | 104.6 | 167.1 | -67.4 | 176.6 | 178.9 | 173.7 | 0 | 106.3 | K131 G135 | K131-K133 PolarHBondContact O-N 3.4Å; K133-G135 VanDerWaalsContact C-N 3.31Å; K133-G135 PolarHBondContact O-N 3.15Å | ||
| 134 | K | 64.4 | Low | 67.1 | Low | 204 Ų | 204 | 134.9 Ų | 134.9 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | -55.2 | 100.3 | -177.2 | -164.2 | 87.7 | 175.1 | -173.3 | 0 | 106.3 | S132 R136 | S132-K134 PolarHBondContact O-N 3.35Å; K134-R136 PolarHBondContact O-N 2.67Å | ||
| 135 | G | 64.2 | Low | 69.5 | Low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | K133 R137 | K133-G135 VanDerWaalsContact C-N 3.31Å; K133-G135 PolarHBondContact O-N 3.15Å; G135-R137 PolarHBondContact O-N 3.43Å; G135-R137 VanDerWaalsContact O-N 3.15Å |
| 136 | R | 75.4 | Confident | 72.3 | Confident | 209 Ų | 209 | 129.5 Ų | 129.5 | 79% | 0.789 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 125 | 174.1 | -163.9 | 175.7 | -152.2 | -105.2 | 3.7 | 107.1 | K134 S138 | K134-R136 PolarHBondContact O-N 2.67Å; R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.14Å |
| 137 | R | 76.3 | Confident | 74.8 | Confident | 232 Ų | 232 | 128.1 Ų | 128.1 | 88% | 0.875 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 125.8 | 177.1 | -67.7 | -178.6 | 179.8 | 124.7 | -2.7 | 108.2 | G135 | G135-R137 PolarHBondContact O-N 3.43Å; G135-R137 VanDerWaalsContact O-N 3.15Å |
| 138 | S | 80.9 | Confident | 77.4 | Confident | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 141.9 | 176.2 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | R136 | R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.14Å |
| 139 | R | 89.4 | Confident | 80.2 | Confident | 210 Ų | 210 | 124 Ų | 124 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 128.1 | 178.7 | -77.9 | 178.1 | 145.5 | 162.9 | -7.3 | 108.9 | ||
| 140 | T | 87.9 | Confident | 82.6 | Confident | 97 Ų | 97 | 119.6 Ų | 119.6 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 138.8 | 171.1 | -43.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 141 | V | 94.5 | Very high | 85.2 | Confident | 131 Ų | 131 | 118.9 Ų | 118.9 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | trans | -109.2 | 133 | 170.3 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 142 | F | 97.6 | Very high | 87.2 | Confident | 43 Ų | 43 | 115.3 Ų | 115.3 | 19% | 0.189 | 58% | 0.576 | C | S | . | * | trans | -85.7 | 148.3 | 176.7 | -60.1 | -52.3 | 0 | 0 | 0 | 110.5 | Q146 L147 L174 Q178 W182 | F142-Q146 HydrophobicContact CB-CB 4.24Å; F142-L147 HydrophobicContact CB-CD2 3.92Å; F142-L147 HydrophobicContact CB-CG 4.03Å; F142-L147 HydrophobicContact CD2-CD2 4.11Å; F142-L147 HydrophobicContact CG-CD2 4.49Å; F142-L174 HydrophobicContact CD1-CD1 4.31Å; F142-L174 HydrophobicContact CD1-CD2 3.78Å; F142-L174 HydrophobicContact CE1-CD1 4.29Å; F142-L174 HydrophobicContact CE1-CD2 3.79Å; F142-Q178 HydrophobicContact CE1-CB 4.09Å; F142-Q178 HydrophobicContact CE1-CG 4.2Å; F142-Q178 HydrophobicContact CZ-CB 3.96Å; F142-Q178 HydrophobicContact CZ-CG 4.25Å; F142-W182 AromaticContact CD2-CD1 3.81Å; F142-W182 HydrophobicContact CE2-CB 4.33Å; F142-W182 AromaticContact CE2-CD1 3.66Å; F142-W182 HydrophobicContact CE2-CG 4.36Å | ||
| 143 | T | 98.3 | Very high | 89.2 | Confident | 78 Ų | 78 | 113.9 Ų | 113.9 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | trans | -69.6 | 161.2 | 173.7 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | L145 Q146 L147 | T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.46Å; T143-Q146 WeakPolarHBondContact O-CB 3.5Å; T143-Q146 PolarHBondContact O-N 3.13Å; T143-Q146 VanDerWaalsContact OG1-CG 3.24Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.45Å; T143-Q146 PolarHBondContact OG1-N 3.01Å; T143-Q146 PolarHBondContact OG1-OE1 3.08Å; T143-L147 WeakPolarHBondContact O-CG 3.15Å; T143-L147 PolarHBondContact O-N 2.86Å | ||
| 144 | E | 97.6 | Very high | 90.9 | Very high | 172 Ų | 172 | 104.3 Ų | 104.3 | 80% | 0.804 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 178.5 | -175.5 | 160.5 | -155.8 | 0 | 0 | 112.2 | Q146 L147 M148 | E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 2.94Å; E144-L147 PolarHBondContact O-N 2.79Å; E144-M148 WeakPolarHBondContact O-CB 3.36Å; E144-M148 PolarHBondContact O-N 3.13Å |
| 145 | L | 98 | Very high | 92.5 | Very high | 123 Ų | 123 | 100.6 Ų | 100.6 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -42.1 | 175.1 | -177.3 | 63.2 | 0 | 0 | 0 | 111.9 | T143 M148 G149 | T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.46Å; L145-M148 HydrophobicContact CD1-CE 3.93Å; L145-M148 PolarHBondContact O-N 2.95Å; L145-G149 PolarHBondContact O-N 3.35Å |
| 146 | Q | 98.3 | Very high | 94.1 | Very high | 35 Ų | 35 | 105.6 Ų | 105.6 | 16% | 0.164 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.5 | -73.9 | 171.5 | -20.1 | 0 | 0 | 111.6 | F142 T143 E144 M148 G149 L150 L172 L174 | F142-Q146 HydrophobicContact CB-CB 4.24Å; T143-Q146 WeakPolarHBondContact O-CB 3.5Å; T143-Q146 PolarHBondContact O-N 3.13Å; T143-Q146 VanDerWaalsContact OG1-CG 3.24Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.45Å; T143-Q146 PolarHBondContact OG1-N 3.01Å; T143-Q146 PolarHBondContact OG1-OE1 3.08Å; E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 2.94Å; Q146-M148 VanDerWaalsContact C-N 3.35Å; Q146-M148 PolarHBondContact O-N 2.97Å; Q146-G149 PolarHBondContact O-N 3.41Å; Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 WeakPolarHBondContact O-CD1 3.47Å; Q146-L150 VanDerWaalsContact O-CG 3.23Å; Q146-L150 WeakPolarHBondContact O-CG 3.48Å; Q146-L150 PolarHBondContact O-N 2.97Å; Q146-L172 PolarHBondContact NE2-O 3.43Å; Q146-L172 VanDerWaalsContact NE2-O 3.1Å; Q146-L174 HydrophobicContact CB-CD1 4.49Å |
| 147 | L | 98.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 98.1 Ų | 98.1 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 177.7 | -68.7 | 174.5 | 0 | 0 | 0 | 111.7 | F142 T143 E144 L150 E151 | F142-L147 HydrophobicContact CB-CD2 3.92Å; F142-L147 HydrophobicContact CB-CG 4.03Å; F142-L147 HydrophobicContact CD2-CD2 4.11Å; F142-L147 HydrophobicContact CG-CD2 4.49Å; T143-L147 WeakPolarHBondContact O-CG 3.15Å; T143-L147 PolarHBondContact O-N 2.86Å; E144-L147 PolarHBondContact O-N 2.79Å; L147-L150 PolarHBondContact O-N 3.04Å; L147-E151 WeakPolarHBondContact O-CB 3.23Å; L147-E151 PolarHBondContact O-N 2.75Å |
| 148 | M | 98.3 | Very high | 96.2 | Very high | 124 Ų | 124 | 89.8 Ų | 89.8 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 177.7 | -172 | 174.7 | 64.5 | 0 | 0 | 111.6 | E144 L145 Q146 E151 K152 | E144-M148 WeakPolarHBondContact O-CB 3.36Å; E144-M148 PolarHBondContact O-N 3.13Å; L145-M148 HydrophobicContact CD1-CE 3.93Å; L145-M148 PolarHBondContact O-N 2.95Å; Q146-M148 VanDerWaalsContact C-N 3.35Å; Q146-M148 PolarHBondContact O-N 2.97Å; M148-E151 PolarHBondContact O-N 3.02Å; M148-K152 VanDerWaalsContact O-CB 3.29Å; M148-K152 WeakPolarHBondContact O-CB 3.45Å; M148-K152 PolarHBondContact O-N 3.25Å |
| 149 | G | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 91.1 Ų | 91.1 | 22% | 0.216 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L145 Q146 R153 | L145-G149 PolarHBondContact O-N 3.35Å; Q146-G149 PolarHBondContact O-N 3.41Å; G149-R153 PolarHBondContact O-N 3.37Å; G149-R153 VanDerWaalsContact O-N 3.13Å |
| 150 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 176 | -72.6 | 165.3 | 0 | 0 | 0 | 111.6 | Q146 L147 R153 F154 L168 L172 L174 V179 W182 Y183 | Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 WeakPolarHBondContact O-CD1 3.47Å; Q146-L150 VanDerWaalsContact O-CG 3.23Å; Q146-L150 WeakPolarHBondContact O-CG 3.48Å; Q146-L150 PolarHBondContact O-N 2.97Å; L147-L150 PolarHBondContact O-N 3.04Å; L150-R153 PolarHBondContact O-N 3.05Å; L150-F154 VanDerWaalsContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CB 3.44Å; L150-F154 PolarHBondContact O-N 3.43Å; L150-L168 HydrophobicContact CD2-CD2 4.01Å; L150-L172 HydrophobicContact CD2-CD1 3.92Å; L150-L172 HydrophobicContact CG-CD1 3.73Å; L150-L174 HydrophobicContact CD1-CD1 4.04Å; L150-V179 HydrophobicContact CD2-CG1 4.33Å; L150-V179 HydrophobicContact CD2-CG2 4.43Å; L150-W182 HydrophobicContact CB-CD2 3.97Å; L150-W182 HydrophobicContact CB-CE3 3.94Å; L150-W182 HydrophobicContact CB-CH2 3.7Å; L150-W182 HydrophobicContact CB-CZ2 3.7Å; L150-W182 HydrophobicContact CB-CZ3 3.82Å; L150-W182 HydrophobicContact CD1-CB 4.47Å; L150-W182 HydrophobicContact CD1-CD2 3.83Å; L150-W182 HydrophobicContact CD1-CE3 4.47Å; L150-W182 HydrophobicContact CD1-CG 3.8Å; L150-W182 HydrophobicContact CD2-CD2 4.35Å; L150-W182 HydrophobicContact CD2-CE3 4.21Å; L150-W182 HydrophobicContact CG-CD2 4.27Å; L150-W182 HydrophobicContact CG-CE3 4.43Å; L150-Y183 HydrophobicContact CD2-CE2 4.2Å |
| 151 | E | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 80.4 Ų | 80.4 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 179.7 | -165.8 | 63.6 | -130.1 | 0 | 0 | 111.6 | L147 M148 R153 F154 E155 R186 | L147-E151 WeakPolarHBondContact O-CB 3.23Å; L147-E151 PolarHBondContact O-N 2.75Å; M148-E151 PolarHBondContact O-N 3.02Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.24Å; E151-F154 CarbonylContact O-C 3.58Å; E151-F154 WeakPolarHBondContact O-CA 3.31Å; E151-F154 WeakPolarHBondContact O-CB 3.32Å; E151-F154 PolarHBondContact O-N 3.49Å; E151-E155 WeakPolarHBondContact O-CG 3.38Å; E151-E155 PolarHBondContact O-N 3.11Å; E151-R186 VanDerWaalsContact CD-NE 3.3Å; E151-R186 VanDerWaalsContact CD-NH2 3.31Å; E151-R186 IonicContact OE1-CZ 3.23Å; E151-R186 VanDerWaalsContact OE1-CZ 3.23Å; E151-R186 IonicContact OE1-NE 2.97Å; E151-R186 PolarHBondContact OE1-NE 3.28Å; E151-R186 IonicContact OE1-NH2 2.67Å; E151-R186 PolarHBondContact OE1-NH2 3.35Å; E151-R186 IonicContact OE2-CZ 3.37Å; E151-R186 IonicContact OE2-NE 2.77Å; E151-R186 PolarHBondContact OE2-NE 2.89Å; E151-R186 IonicContact OE2-NH2 3.35Å; E151-R186 PolarHBondContact OE2-NH2 2.85Å |
| 152 | K | 98.3 | Very high | 98.1 | Very high | 136 Ų | 136 | 78 Ų | 78 | 59% | 0.591 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.5 | -41.1 | 177.2 | -177.1 | 177.9 | -176.9 | 176.8 | 0 | 112.3 | M148 | M148-K152 VanDerWaalsContact O-CB 3.29Å; M148-K152 WeakPolarHBondContact O-CB 3.45Å; M148-K152 PolarHBondContact O-N 3.25Å |
| 153 | R | 98.2 | Very high | 98.1 | Very high | 77 Ų | 77 | 79.7 Ų | 79.7 | 29% | 0.291 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.1 | -38.7 | 175.5 | -170.4 | 67.6 | -179.1 | -127.9 | 1.8 | 111.3 | G149 L150 E151 E155 K156 Q157 L160 D164 L168 Y183 | G149-R153 PolarHBondContact O-N 3.37Å; G149-R153 VanDerWaalsContact O-N 3.13Å; L150-R153 PolarHBondContact O-N 3.05Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.24Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-E155 PolarHBondContact O-N 2.77Å; R153-K156 PolarHBondContact O-N 2.97Å; R153-Q157 PolarHBondContact O-N 3.28Å; R153-L160 HydrophobicContact CG-CD2 4.16Å; R153-D164 IonicContact NH2-OD1 2.91Å; R153-D164 PolarHBondContact NH2-OD1 3.04Å; R153-L168 HydrophobicContact CB-CD1 4.17Å; R153-L168 HydrophobicContact CB-CD2 4.14Å; R153-L168 HydrophobicContact CG-CD1 4.36Å; R153-L168 HydrophobicContact CG-CD2 4.04Å; R153-Y183 WeakPolarHBondContact CB-OH 3.42Å; R153-Y183 WeakPolarHBondContact CG-OH 3.33Å |
| 154 | F | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 77.6 Ų | 77.6 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 178.9 | -176.5 | -99 | 0 | 0 | 0 | 113.1 | L150 E151 K156 Q157 K158 W182 Y183 R186 R187 W190 | L150-F154 VanDerWaalsContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CB 3.44Å; L150-F154 PolarHBondContact O-N 3.43Å; E151-F154 CarbonylContact O-C 3.58Å; E151-F154 WeakPolarHBondContact O-CA 3.31Å; E151-F154 WeakPolarHBondContact O-CB 3.32Å; E151-F154 PolarHBondContact O-N 3.49Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 3.46Å; F154-Q157 CarbonylContact O-C 3.48Å; F154-Q157 PolarHBondContact O-N 2.84Å; F154-K158 HydrophobicContact CD1-CD 4.07Å; F154-K158 HydrophobicContact CD2-CD 4.46Å; F154-K158 HydrophobicContact CE1-CD 3.56Å; F154-K158 HydrophobicContact CE2-CB 4.23Å; F154-K158 HydrophobicContact CE2-CD 4Å; F154-K158 HydrophobicContact CG-CD 4.49Å; F154-K158 HydrophobicContact CZ-CB 4.39Å; F154-K158 HydrophobicContact CZ-CD 3.52Å; F154-K158 VanDerWaalsContact O-CD 3.29Å; F154-K158 WeakPolarHBondContact O-CD 3.16Å; F154-K158 WeakPolarHBondContact O-CE 3.45Å; F154-K158 PolarHBondContact O-NZ 3.39Å; F154-W182 HydrophobicContact CB-CH2 4.22Å; F154-W182 HydrophobicContact CB-CZ3 4Å; F154-W182 HydrophobicContact CD2-CZ3 4.35Å; F154-W182 HydrophobicContact CG-CZ3 4.27Å; F154-Y183 HydrophobicContact CB-CE1 4.35Å; F154-Y183 AromaticContact CD2-CD1 3.83Å; F154-Y183 HydrophobicContact CD2-CD1 3.83Å; F154-Y183 AromaticContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CE2-CD1 4.34Å; F154-Y183 HydrophobicContact CE2-CE1 4.5Å; F154-Y183 HydrophobicContact CG-CE1 4.5Å; F154-Y183 PolarHBondContact N-OH 3.34Å; F154-R186 HydrophobicContact CD1-CG 3.59Å; F154-R186 HydrophobicContact CD2-CB 4.34Å; F154-R186 HydrophobicContact CD2-CG 3.79Å; F154-R186 HydrophobicContact CE1-CG 3.52Å; F154-R186 HydrophobicContact CE2-CB 4.15Å; F154-R186 HydrophobicContact CE2-CG 3.73Å; F154-R186 HydrophobicContact CG-CG 3.74Å; F154-R186 HydrophobicContact CZ-CB 4.34Å; F154-R186 HydrophobicContact CZ-CG 3.6Å; F154-R187 HydrophobicContact CE2-CG 3.79Å; F154-R187 HydrophobicContact CZ-CG 4.14Å; F154-W190 HydrophobicContact CE1-CB 4.29Å; F154-W190 HydrophobicContact CE1-CG 4.38Å; F154-W190 HydrophobicContact CZ-CB 4.14Å; F154-W190 HydrophobicContact CZ-CG 4.34Å |
| 155 | E | 97.8 | Very high | 98.2 | Very high | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -55.5 | -46.5 | 174.3 | -77.8 | 174.2 | -178 | 0 | 0 | 111.7 | E151 R153 K158 | E151-E155 WeakPolarHBondContact O-CG 3.38Å; E151-E155 PolarHBondContact O-N 3.11Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-E155 PolarHBondContact O-N 2.77Å; E155-K158 VanDerWaalsContact CA-NZ 3.33Å; E155-K158 PolarHBondContact O-NZ 2.79Å |
| 156 | K | 97.7 | Very high | 98.2 | Very high | 167 Ų | 167 | 68.6 Ų | 68.6 | 73% | 0.726 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -74.3 | -40 | 179.4 | -58.7 | -178.7 | -179.5 | -169.6 | 0 | 112.9 | R153 F154 | R153-K156 PolarHBondContact O-N 2.97Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 3.46Å |
| 157 | Q | 97.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | trans | -141.3 | 105.4 | -170.6 | -175.3 | 178.8 | -13.2 | 0 | 0 | 110.4 | R153 F154 Y159 L160 D164 Y183 | R153-Q157 PolarHBondContact O-N 3.28Å; F154-Q157 CarbonylContact O-C 3.48Å; F154-Q157 PolarHBondContact O-N 2.84Å; Q157-Y159 VanDerWaalsContact C-N 3.26Å; Q157-Y159 WeakPolarHBondContact CG-O 3.5Å; Q157-Y159 PolarHBondContact NE2-O 3.39Å; Q157-Y159 PolarHBondContact O-N 3.29Å; Q157-L160 HydrophobicContact CB-CD2 4.49Å; Q157-L160 HydrophobicContact CG-CD2 4.14Å; Q157-D164 PolarHBondContact NE2-OD2 2.99Å; Q157-Y183 WeakPolarHBondContact O-CE1 3.34Å | ||
| 158 | K | 97.6 | Very high | 98.2 | Very high | 57 Ų | 57 | 67.9 Ų | 67.9 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -71.2 | -21.1 | -177 | -53.3 | -63.7 | 164.4 | -157.5 | 0 | 113.5 | F154 E155 R187 | F154-K158 HydrophobicContact CD1-CD 4.07Å; F154-K158 HydrophobicContact CD2-CD 4.46Å; F154-K158 HydrophobicContact CE1-CD 3.56Å; F154-K158 HydrophobicContact CE2-CB 4.23Å; F154-K158 HydrophobicContact CE2-CD 4Å; F154-K158 HydrophobicContact CG-CD 4.49Å; F154-K158 HydrophobicContact CZ-CB 4.39Å; F154-K158 HydrophobicContact CZ-CD 3.52Å; F154-K158 VanDerWaalsContact O-CD 3.29Å; F154-K158 WeakPolarHBondContact O-CD 3.16Å; F154-K158 WeakPolarHBondContact O-CE 3.45Å; F154-K158 PolarHBondContact O-NZ 3.39Å; E155-K158 VanDerWaalsContact CA-NZ 3.33Å; E155-K158 PolarHBondContact O-NZ 2.79Å; K158-R187 WeakPolarHBondContact O-CD 3.14Å |
| 159 | Y | 98.2 | Very high | 98.2 | Very high | 142 Ų | 142 | 62.2 Ų | 62.2 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -132.8 | 119 | -177.6 | -63.4 | -105.6 | 0 | 0 | 0 | 109.3 | Q157 | Q157-Y159 VanDerWaalsContact C-N 3.26Å; Q157-Y159 WeakPolarHBondContact CG-O 3.5Å; Q157-Y159 PolarHBondContact NE2-O 3.39Å; Q157-Y159 PolarHBondContact O-N 3.29Å |
| 160 | L | 98.1 | Very high | 98.3 | Very high | 34 Ų | 34 | 68 Ų | 68 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | trans | -86.1 | 138.8 | 176.8 | -61.7 | -178.1 | 0 | 0 | 0 | 111.5 | R153 Q157 D164 R165 L168 V179 Y183 | R153-L160 HydrophobicContact CG-CD2 4.16Å; Q157-L160 HydrophobicContact CB-CD2 4.49Å; Q157-L160 HydrophobicContact CG-CD2 4.14Å; L160-D164 HydrophobicContact CB-CB 4.27Å; L160-D164 HydrophobicContact CD2-CB 4.06Å; L160-R165 HydrophobicContact CB-CB 4.32Å; L160-R165 HydrophobicContact CD1-CB 4.35Å; L160-L168 HydrophobicContact CD1-CD2 3.7Å; L160-V179 HydrophobicContact CD1-CG1 3.89Å; L160-Y183 HydrophobicContact CD1-CD1 4.27Å; L160-Y183 HydrophobicContact CD1-CD2 3.92Å; L160-Y183 HydrophobicContact CD1-CE1 3.83Å; L160-Y183 HydrophobicContact CD1-CE2 3.47Å; L160-Y183 VanDerWaalsContact CD1-CE2 3.47Å; L160-Y183 HydrophobicContact CD1-CG 4.31Å; L160-Y183 VanDerWaalsContact CD1-CZ 3.41Å; L160-Y183 HydrophobicContact CD2-CE1 3.9Å; L160-Y183 HydrophobicContact CG-CD1 3.93Å; L160-Y183 HydrophobicContact CG-CD2 4.48Å; L160-Y183 HydrophobicContact CG-CE1 3.44Å; L160-Y183 VanDerWaalsContact CG-CE1 3.44Å; L160-Y183 HydrophobicContact CG-CE2 4.08Å; L160-Y183 HydrophobicContact CG-CG 4.42Å | ||
| 161 | S | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 72.7 Ų | 72.7 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | trans | -70.9 | 169.4 | 162.7 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | P163 D164 R165 | S161-P163 WeakPolarHBondContact OG-CD 3.49Å; S161-P163 WeakPolarHBondContact OG-CG 3.32Å; S161-D164 WeakPolarHBondContact CB-OD2 3.37Å; S161-D164 PolarHBondContact N-OD2 3.39Å; S161-D164 PolarHBondContact OG-N 3.22Å; S161-D164 PolarHBondContact OG-OD2 3.34Å; S161-R165 WeakPolarHBondContact O-CB 3.31Å; S161-R165 PolarHBondContact O-N 3.16Å; S161-R165 VanDerWaalsContact O-N 3.11Å | ||
| 162 | T | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 71.9 Ų | 71.9 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 174.3 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | R165 I166 | T162-R165 PolarHBondContact O-N 2.85Å; T162-I166 HydrophobicContact CG2-CD1 4.2Å; T162-I166 WeakPolarHBondContact O-CG1 3.29Å; T162-I166 PolarHBondContact O-N 3.39Å |
| 163 | P | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 178 | 22.6 | -32.1 | 0 | 0 | 0 | 112.4 | S161 R165 I166 D167 | S161-P163 WeakPolarHBondContact OG-CD 3.49Å; S161-P163 WeakPolarHBondContact OG-CG 3.32Å; P163-R165 PolarHBondContact O-N 3.21Å; P163-R165 VanDerWaalsContact O-N 3.09Å; P163-I166 WeakPolarHBondContact O-CA 3.48Å; P163-I166 WeakPolarHBondContact O-CB 3.48Å; P163-I166 PolarHBondContact O-N 2.91Å; P163-D167 PolarHBondContact O-N 3.31Å |
| 164 | D | 98.4 | Very high | 98.2 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.9 | -33.9 | 178.6 | -66.2 | -49.9 | 0 | 0 | 0 | 113 | R153 Q157 L160 S161 L168 | R153-D164 IonicContact NH2-OD1 2.91Å; R153-D164 PolarHBondContact NH2-OD1 3.04Å; Q157-D164 PolarHBondContact NE2-OD2 2.99Å; L160-D164 HydrophobicContact CB-CB 4.27Å; L160-D164 HydrophobicContact CD2-CB 4.06Å; S161-D164 WeakPolarHBondContact CB-OD2 3.37Å; S161-D164 PolarHBondContact N-OD2 3.39Å; S161-D164 PolarHBondContact OG-N 3.22Å; S161-D164 PolarHBondContact OG-OD2 3.34Å; D164-L168 WeakPolarHBondContact O-CB 3.37Å; D164-L168 PolarHBondContact O-N 3.45Å; D164-L168 VanDerWaalsContact O-N 3.07Å |
| 165 | R | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 177 | -177.7 | -178.5 | 66.5 | -126.6 | -1.5 | 111.6 | L160 S161 T162 P163 A169 Q176 V179 | L160-R165 HydrophobicContact CB-CB 4.32Å; L160-R165 HydrophobicContact CD1-CB 4.35Å; S161-R165 WeakPolarHBondContact O-CB 3.31Å; S161-R165 PolarHBondContact O-N 3.16Å; S161-R165 VanDerWaalsContact O-N 3.11Å; T162-R165 PolarHBondContact O-N 2.85Å; P163-R165 PolarHBondContact O-N 3.21Å; P163-R165 VanDerWaalsContact O-N 3.09Å; R165-A169 WeakPolarHBondContact O-CB 3.49Å; R165-A169 PolarHBondContact O-N 2.85Å; R165-A169 VanDerWaalsContact O-N 3.08Å; R165-Q176 WeakPolarHBondContact CD-O 3.49Å; R165-Q176 HydrophobicContact CG-CB 4.38Å; R165-V179 HydrophobicContact CG-CB 4.21Å; R165-V179 HydrophobicContact CG-CG1 4Å |
| 166 | I | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 66.3 Ų | 66.3 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -52.8 | 176.3 | -66.2 | 165.8 | 0 | 0 | 0 | 108.5 | T162 P163 L168 A169 E170 Q176 | T162-I166 HydrophobicContact CG2-CD1 4.2Å; T162-I166 WeakPolarHBondContact O-CG1 3.29Å; T162-I166 PolarHBondContact O-N 3.39Å; P163-I166 WeakPolarHBondContact O-CA 3.48Å; P163-I166 WeakPolarHBondContact O-CB 3.48Å; P163-I166 PolarHBondContact O-N 2.91Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.34Å; I166-A169 WeakPolarHBondContact O-CB 3.47Å; I166-A169 PolarHBondContact O-N 3.48Å; I166-E170 HydrophobicContact CG2-CG 4.49Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.45Å; I166-E170 WeakPolarHBondContact O-CG 3.42Å; I166-E170 PolarHBondContact O-N 3.27Å; I166-Q176 HydrophobicContact CG1-CG 4.29Å |
| 167 | D | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.5 | -42.2 | -178.2 | -58 | -12.3 | 0 | 0 | 0 | 112.3 | P163 S171 | P163-D167 PolarHBondContact O-N 3.31Å; D167-S171 WeakPolarHBondContact O-CB 3.38Å; D167-S171 PolarHBondContact O-N 2.88Å; D167-S171 PolarHBondContact O-OG 2.86Å |
| 168 | L | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 178.3 | -174.5 | 62.6 | 0 | 0 | 0 | 112.3 | L150 R153 L160 D164 I166 L172 V179 Y183 | L150-L168 HydrophobicContact CD2-CD2 4.01Å; R153-L168 HydrophobicContact CB-CD1 4.17Å; R153-L168 HydrophobicContact CB-CD2 4.14Å; R153-L168 HydrophobicContact CG-CD1 4.36Å; R153-L168 HydrophobicContact CG-CD2 4.04Å; L160-L168 HydrophobicContact CD1-CD2 3.7Å; D164-L168 WeakPolarHBondContact O-CB 3.37Å; D164-L168 PolarHBondContact O-N 3.45Å; D164-L168 VanDerWaalsContact O-N 3.07Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.34Å; L168-L172 HydrophobicContact CD1-CD1 3.73Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CG-CD1 4.07Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; L168-V179 HydrophobicContact CD2-CG1 3.94Å; L168-Y183 HydrophobicContact CD2-CE2 3.76Å |
| 169 | A | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R165 I166 L172 G173 L174 Q176 V179 | R165-A169 WeakPolarHBondContact O-CB 3.49Å; R165-A169 PolarHBondContact O-N 2.85Å; R165-A169 VanDerWaalsContact O-N 3.08Å; I166-A169 WeakPolarHBondContact O-CB 3.47Å; I166-A169 PolarHBondContact O-N 3.48Å; A169-L172 PolarHBondContact O-N 3Å; A169-G173 PolarHBondContact O-N 3.43Å; A169-L174 CarbonylContact C-O 3.52Å; A169-L174 VanDerWaalsContact CB-O 3.31Å; A169-L174 WeakPolarHBondContact CB-O 3.33Å; A169-L174 PolarHBondContact O-N 3.31Å; A169-Q176 HydrophobicContact CB-CG 4.29Å; A169-V179 HydrophobicContact CB-CG2 3.96Å |
| 170 | E | 98.4 | Very high | 98.2 | Very high | 143 Ų | 143 | 59.5 Ų | 59.5 | 67% | 0.668 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 176.3 | -69.7 | 177.7 | -179.1 | 0 | 0 | 111.6 | I166 L172 G173 | I166-E170 HydrophobicContact CG2-CG 4.49Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.45Å; I166-E170 WeakPolarHBondContact O-CG 3.42Å; I166-E170 PolarHBondContact O-N 3.27Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 3.21Å; E170-G173 PolarHBondContact O-N 3.45Å |
| 171 | S | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 60.7 Ų | 60.7 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -30.6 | -179.6 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | D167 | D167-S171 WeakPolarHBondContact O-CB 3.38Å; D167-S171 PolarHBondContact O-N 2.88Å; D167-S171 PolarHBondContact O-OG 2.86Å |
| 172 | L | 97.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -105.3 | -0.3 | -176.3 | -61.9 | 179.8 | 0 | 0 | 0 | 113.8 | Q146 L150 L168 A169 E170 L174 | Q146-L172 PolarHBondContact NE2-O 3.43Å; Q146-L172 VanDerWaalsContact NE2-O 3.1Å; L150-L172 HydrophobicContact CD2-CD1 3.92Å; L150-L172 HydrophobicContact CG-CD1 3.73Å; L168-L172 HydrophobicContact CD1-CD1 3.73Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CG-CD1 4.07Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; A169-L172 PolarHBondContact O-N 3Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 3.21Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 HydrophobicContact CB-CD1 4.15Å; L172-L174 HydrophobicContact CB-CG 4.1Å; L172-L174 HydrophobicContact CD1-CD1 4.45Å; L172-L174 PolarHBondContact O-N 3.25Å |
| 173 | G | 98 | Very high | 98.2 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 68% | 0.68 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 35.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A169 E170 | A169-G173 PolarHBondContact O-N 3.43Å; E170-G173 PolarHBondContact O-N 3.45Å |
| 174 | L | 97.7 | Very high | 98.2 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | trans | -111.2 | 159.8 | 179.6 | -65.6 | -179.8 | 0 | 0 | 0 | 110.7 | F142 Q146 L150 A169 L172 V179 | F142-L174 HydrophobicContact CD1-CD1 4.31Å; F142-L174 HydrophobicContact CD1-CD2 3.78Å; F142-L174 HydrophobicContact CE1-CD1 4.29Å; F142-L174 HydrophobicContact CE1-CD2 3.79Å; Q146-L174 HydrophobicContact CB-CD1 4.49Å; L150-L174 HydrophobicContact CD1-CD1 4.04Å; A169-L174 CarbonylContact C-O 3.52Å; A169-L174 VanDerWaalsContact CB-O 3.31Å; A169-L174 WeakPolarHBondContact CB-O 3.33Å; A169-L174 PolarHBondContact O-N 3.31Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 HydrophobicContact CB-CD1 4.15Å; L172-L174 HydrophobicContact CB-CG 4.1Å; L172-L174 HydrophobicContact CD1-CD1 4.45Å; L172-L174 PolarHBondContact O-N 3.25Å; L174-V179 HydrophobicContact CB-CG2 4.07Å; L174-V179 HydrophobicContact CD1-CG2 4.39Å | ||
| 175 | S | 98.1 | Very high | 98.2 | Very high | 54 Ų | 54 | 60 Ų | 60 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | trans | -77.9 | 150.2 | 168.6 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | L177 Q178 V179 | S175-L177 PolarHBondContact O-N 2.93Å; S175-L177 VanDerWaalsContact O-N 3.13Å; S175-Q178 WeakPolarHBondContact O-CB 3.46Å; S175-Q178 PolarHBondContact O-N 2.91Å; S175-Q178 WeakPolarHBondContact OG-CB 3.44Å; S175-Q178 VanDerWaalsContact OG-CD 3.29Å; S175-Q178 VanDerWaalsContact OG-CG 3.23Å; S175-Q178 WeakPolarHBondContact OG-CG 3.29Å; S175-Q178 PolarHBondContact OG-N 3.07Å; S175-Q178 PolarHBondContact OG-OE1 3.26Å; S175-V179 PolarHBondContact O-N 3.04Å; S175-V179 VanDerWaalsContact O-N 3.07Å | ||
| 176 | Q | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.6 | -35.7 | 173.4 | -65.6 | -174.2 | 45.2 | 0 | 0 | 112.5 | R165 I166 A169 K180 | R165-Q176 WeakPolarHBondContact CD-O 3.49Å; R165-Q176 HydrophobicContact CG-CB 4.38Å; I166-Q176 HydrophobicContact CG1-CG 4.29Å; A169-Q176 HydrophobicContact CB-CG 4.29Å; Q176-K180 VanDerWaalsContact O-CB 3.29Å; Q176-K180 WeakPolarHBondContact O-CB 3.47Å; Q176-K180 PolarHBondContact O-N 2.9Å |
| 177 | L | 97.5 | Very high | 98.1 | Very high | 116 Ų | 116 | 60.8 Ų | 60.8 | 61% | 0.607 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 177.1 | 178.9 | 60.7 | 0 | 0 | 0 | 111.6 | S175 K180 T181 | S175-L177 PolarHBondContact O-N 2.93Å; S175-L177 VanDerWaalsContact O-N 3.13Å; L177-K180 WeakPolarHBondContact O-CB 3.37Å; L177-K180 PolarHBondContact O-N 2.86Å; L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.38Å; L177-T181 PolarHBondContact O-OG1 3.41Å |
| 178 | Q | 97.9 | Very high | 98 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.6 | -76.6 | 164.4 | -49.2 | 0 | 0 | 111.3 | F142 S175 K180 T181 W182 | F142-Q178 HydrophobicContact CE1-CB 4.09Å; F142-Q178 HydrophobicContact CE1-CG 4.2Å; F142-Q178 HydrophobicContact CZ-CB 3.96Å; F142-Q178 HydrophobicContact CZ-CG 4.25Å; S175-Q178 WeakPolarHBondContact O-CB 3.46Å; S175-Q178 PolarHBondContact O-N 2.91Å; S175-Q178 WeakPolarHBondContact OG-CB 3.44Å; S175-Q178 VanDerWaalsContact OG-CD 3.29Å; S175-Q178 VanDerWaalsContact OG-CG 3.23Å; S175-Q178 WeakPolarHBondContact OG-CG 3.29Å; S175-Q178 PolarHBondContact OG-N 3.07Å; S175-Q178 PolarHBondContact OG-OE1 3.26Å; Q178-K180 VanDerWaalsContact C-N 3.35Å; Q178-K180 PolarHBondContact O-N 3.33Å; Q178-T181 PolarHBondContact O-N 3.09Å; Q178-W182 WeakPolarHBondContact O-CB 3.16Å; Q178-W182 PolarHBondContact O-N 3.05Å |
| 179 | V | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | L150 L160 R165 L168 A169 L174 S175 T181 W182 Y183 | L150-V179 HydrophobicContact CD2-CG1 4.33Å; L150-V179 HydrophobicContact CD2-CG2 4.43Å; L160-V179 HydrophobicContact CD1-CG1 3.89Å; R165-V179 HydrophobicContact CG-CB 4.21Å; R165-V179 HydrophobicContact CG-CG1 4Å; L168-V179 HydrophobicContact CD2-CG1 3.94Å; A169-V179 HydrophobicContact CB-CG2 3.96Å; L174-V179 HydrophobicContact CB-CG2 4.07Å; L174-V179 HydrophobicContact CD1-CG2 4.39Å; S175-V179 PolarHBondContact O-N 3.04Å; S175-V179 VanDerWaalsContact O-N 3.07Å; V179-T181 PolarHBondContact O-N 3.23Å; V179-W182 PolarHBondContact O-N 2.87Å; V179-Y183 HydrophobicContact CG1-CD2 3.88Å; V179-Y183 HydrophobicContact CG1-CE2 4.04Å; V179-Y183 WeakPolarHBondContact O-CB 3.33Å; V179-Y183 WeakPolarHBondContact O-CD2 3.35Å; V179-Y183 PolarHBondContact O-N 2.87Å |
| 180 | K | 97.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 72 Ų | 72 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.3 | -49.4 | 176.7 | 179 | -179.4 | 177.1 | -180 | 0 | 112 | Q176 L177 Q178 Y183 Q184 | Q176-K180 VanDerWaalsContact O-CB 3.29Å; Q176-K180 WeakPolarHBondContact O-CB 3.47Å; Q176-K180 PolarHBondContact O-N 2.9Å; L177-K180 WeakPolarHBondContact O-CB 3.37Å; L177-K180 PolarHBondContact O-N 2.86Å; Q178-K180 VanDerWaalsContact C-N 3.35Å; Q178-K180 PolarHBondContact O-N 3.33Å; K180-Y183 PolarHBondContact O-N 3.49Å; K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.08Å |
| 181 | T | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 179.8 | -64.4 | 0 | 0 | 0 | 0 | 111.4 | L177 Q178 V179 Q184 N185 | L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.38Å; L177-T181 PolarHBondContact O-OG1 3.41Å; Q178-T181 PolarHBondContact O-N 3.09Å; V179-T181 PolarHBondContact O-N 3.23Å; T181-Q184 PolarHBondContact O-N 3.04Å; T181-N185 VanDerWaalsContact O-CG 3.31Å; T181-N185 PolarHBondContact O-N 3.3Å; T181-N185 PolarHBondContact O-ND2 3.07Å |
| 182 | W | 98.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 13% | 0.125 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 176 | -170.9 | 99.3 | 0 | 0 | 0 | 111.2 | F142 L150 F154 Q178 V179 Q184 N185 R186 | F142-W182 AromaticContact CD2-CD1 3.81Å; F142-W182 HydrophobicContact CE2-CB 4.33Å; F142-W182 AromaticContact CE2-CD1 3.66Å; F142-W182 HydrophobicContact CE2-CG 4.36Å; L150-W182 HydrophobicContact CB-CD2 3.97Å; L150-W182 HydrophobicContact CB-CE3 3.94Å; L150-W182 HydrophobicContact CB-CH2 3.7Å; L150-W182 HydrophobicContact CB-CZ2 3.7Å; L150-W182 HydrophobicContact CB-CZ3 3.82Å; L150-W182 HydrophobicContact CD1-CB 4.47Å; L150-W182 HydrophobicContact CD1-CD2 3.83Å; L150-W182 HydrophobicContact CD1-CE3 4.47Å; L150-W182 HydrophobicContact CD1-CG 3.8Å; L150-W182 HydrophobicContact CD2-CD2 4.35Å; L150-W182 HydrophobicContact CD2-CE3 4.21Å; L150-W182 HydrophobicContact CG-CD2 4.27Å; L150-W182 HydrophobicContact CG-CE3 4.43Å; F154-W182 HydrophobicContact CB-CH2 4.22Å; F154-W182 HydrophobicContact CB-CZ3 4Å; F154-W182 HydrophobicContact CD2-CZ3 4.35Å; F154-W182 HydrophobicContact CG-CZ3 4.27Å; Q178-W182 WeakPolarHBondContact O-CB 3.16Å; Q178-W182 PolarHBondContact O-N 3.05Å; V179-W182 PolarHBondContact O-N 2.87Å; W182-Q184 VanDerWaalsContact C-N 3.33Å; W182-Q184 PolarHBondContact O-N 3.45Å; W182-N185 PolarHBondContact O-N 3.09Å; W182-R186 HydrophobicContact CD2-CB 4.45Å; W182-R186 HydrophobicContact CE3-CB 3.94Å; W182-R186 HydrophobicContact CE3-CG 4.45Å; W182-R186 HydrophobicContact CH2-CB 4.03Å; W182-R186 HydrophobicContact CH2-CG 3.67Å; W182-R186 HydrophobicContact CZ2-CG 4.38Å; W182-R186 HydrophobicContact CZ3-CB 3.71Å; W182-R186 HydrophobicContact CZ3-CG 3.72Å; W182-R186 VanDerWaalsContact O-CB 3.31Å; W182-R186 WeakPolarHBondContact O-CB 3.29Å; W182-R186 PolarHBondContact O-N 3.03Å |
| 183 | Y | 98.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 73.7 Ų | 73.7 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.5 | -35.5 | 177.1 | -94.8 | -103.2 | 0 | 0 | 0 | 113.2 | L150 R153 F154 Q157 L160 L168 V179 K180 R187 | L150-Y183 HydrophobicContact CD2-CE2 4.2Å; R153-Y183 WeakPolarHBondContact CB-OH 3.42Å; R153-Y183 WeakPolarHBondContact CG-OH 3.33Å; F154-Y183 HydrophobicContact CB-CE1 4.35Å; F154-Y183 AromaticContact CD2-CD1 3.83Å; F154-Y183 HydrophobicContact CD2-CD1 3.83Å; F154-Y183 AromaticContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CE2-CD1 4.34Å; F154-Y183 HydrophobicContact CE2-CE1 4.5Å; F154-Y183 HydrophobicContact CG-CE1 4.5Å; F154-Y183 PolarHBondContact N-OH 3.34Å; Q157-Y183 WeakPolarHBondContact O-CE1 3.34Å; L160-Y183 HydrophobicContact CD1-CD1 4.27Å; L160-Y183 HydrophobicContact CD1-CD2 3.92Å; L160-Y183 HydrophobicContact CD1-CE1 3.83Å; L160-Y183 HydrophobicContact CD1-CE2 3.47Å; L160-Y183 VanDerWaalsContact CD1-CE2 3.47Å; L160-Y183 HydrophobicContact CD1-CG 4.31Å; L160-Y183 VanDerWaalsContact CD1-CZ 3.41Å; L160-Y183 HydrophobicContact CD2-CE1 3.9Å; L160-Y183 HydrophobicContact CG-CD1 3.93Å; L160-Y183 HydrophobicContact CG-CD2 4.48Å; L160-Y183 HydrophobicContact CG-CE1 3.44Å; L160-Y183 VanDerWaalsContact CG-CE1 3.44Å; L160-Y183 HydrophobicContact CG-CE2 4.08Å; L160-Y183 HydrophobicContact CG-CG 4.42Å; L168-Y183 HydrophobicContact CD2-CE2 3.76Å; V179-Y183 HydrophobicContact CG1-CD2 3.88Å; V179-Y183 HydrophobicContact CG1-CE2 4.04Å; V179-Y183 WeakPolarHBondContact O-CB 3.33Å; V179-Y183 WeakPolarHBondContact O-CD2 3.35Å; V179-Y183 PolarHBondContact O-N 2.87Å; K180-Y183 PolarHBondContact O-N 3.49Å; Y183-R187 WeakPolarHBondContact O-CB 3.32Å; Y183-R187 WeakPolarHBondContact O-CG 3.29Å; Y183-R187 PolarHBondContact O-N 2.62Å; Y183-R187 PolarHBondContact O-NE 3.09Å |
| 184 | Q | 98.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 74.6 Ų | 74.6 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -51.6 | 172.4 | -74.9 | 174.6 | -1.4 | 0 | 0 | 110.9 | K180 T181 W182 R186 R187 M188 | K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.08Å; T181-Q184 PolarHBondContact O-N 3.04Å; W182-Q184 VanDerWaalsContact C-N 3.33Å; W182-Q184 PolarHBondContact O-N 3.45Å; Q184-R186 VanDerWaalsContact C-N 3.31Å; Q184-R186 PolarHBondContact O-N 3.36Å; Q184-R187 PolarHBondContact O-N 3.49Å; Q184-M188 WeakPolarHBondContact O-CG 3.36Å; Q184-M188 PolarHBondContact O-N 3.11Å |
| 185 | N | 97.7 | Very high | 95.4 | Very high | 104 Ų | 104 | 80.7 Ų | 80.7 | 56% | 0.556 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 178.8 | -69.3 | -21.1 | 0 | 0 | 0 | 111.9 | T181 W182 M188 K189 | T181-N185 VanDerWaalsContact O-CG 3.31Å; T181-N185 PolarHBondContact O-N 3.3Å; T181-N185 PolarHBondContact O-ND2 3.07Å; W182-N185 PolarHBondContact O-N 3.09Å; N185-M188 PolarHBondContact O-N 2.81Å; N185-K189 PolarHBondContact O-N 3.34Å |
| 186 | R | 97.9 | Very high | 94.4 | Very high | 51 Ų | 51 | 85.4 Ų | 85.4 | 19% | 0.192 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 179.8 | -172 | 66.7 | -176.2 | 122.7 | -8 | 111.7 | E151 F154 W182 Q184 M188 K189 W190 | E151-R186 VanDerWaalsContact CD-NE 3.3Å; E151-R186 VanDerWaalsContact CD-NH2 3.31Å; E151-R186 IonicContact OE1-CZ 3.23Å; E151-R186 VanDerWaalsContact OE1-CZ 3.23Å; E151-R186 IonicContact OE1-NE 2.97Å; E151-R186 PolarHBondContact OE1-NE 3.28Å; E151-R186 IonicContact OE1-NH2 2.67Å; E151-R186 PolarHBondContact OE1-NH2 3.35Å; E151-R186 IonicContact OE2-CZ 3.37Å; E151-R186 IonicContact OE2-NE 2.77Å; E151-R186 PolarHBondContact OE2-NE 2.89Å; E151-R186 IonicContact OE2-NH2 3.35Å; E151-R186 PolarHBondContact OE2-NH2 2.85Å; F154-R186 HydrophobicContact CD1-CG 3.59Å; F154-R186 HydrophobicContact CD2-CB 4.34Å; F154-R186 HydrophobicContact CD2-CG 3.79Å; F154-R186 HydrophobicContact CE1-CG 3.52Å; F154-R186 HydrophobicContact CE2-CB 4.15Å; F154-R186 HydrophobicContact CE2-CG 3.73Å; F154-R186 HydrophobicContact CG-CG 3.74Å; F154-R186 HydrophobicContact CZ-CB 4.34Å; F154-R186 HydrophobicContact CZ-CG 3.6Å; W182-R186 HydrophobicContact CD2-CB 4.45Å; W182-R186 HydrophobicContact CE3-CB 3.94Å; W182-R186 HydrophobicContact CE3-CG 4.45Å; W182-R186 HydrophobicContact CH2-CB 4.03Å; W182-R186 HydrophobicContact CH2-CG 3.67Å; W182-R186 HydrophobicContact CZ2-CG 4.38Å; W182-R186 HydrophobicContact CZ3-CB 3.71Å; W182-R186 HydrophobicContact CZ3-CG 3.72Å; W182-R186 VanDerWaalsContact O-CB 3.31Å; W182-R186 WeakPolarHBondContact O-CB 3.29Å; W182-R186 PolarHBondContact O-N 3.03Å; Q184-R186 VanDerWaalsContact C-N 3.31Å; Q184-R186 PolarHBondContact O-N 3.36Å; R186-M188 VanDerWaalsContact C-N 3.34Å; R186-M188 PolarHBondContact O-N 2.97Å; R186-K189 PolarHBondContact O-N 3.31Å; R186-W190 WeakPolarHBondContact O-CB 3.34Å; R186-W190 PolarHBondContact O-N 3.35Å |
| 187 | R | 97.8 | Very high | 92.6 | Very high | 71 Ų | 71 | 84.5 Ų | 84.5 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 174.5 | -76.3 | -177 | -68.5 | 161.6 | -0.6 | 112.6 | F154 K158 Y183 Q184 W190 K191 | F154-R187 HydrophobicContact CE2-CG 3.79Å; F154-R187 HydrophobicContact CZ-CG 4.14Å; K158-R187 WeakPolarHBondContact O-CD 3.14Å; Y183-R187 WeakPolarHBondContact O-CB 3.32Å; Y183-R187 WeakPolarHBondContact O-CG 3.29Å; Y183-R187 PolarHBondContact O-N 2.62Å; Y183-R187 PolarHBondContact O-NE 3.09Å; Q184-R187 PolarHBondContact O-N 3.49Å; R187-W190 PolarHBondContact O-N 3.41Å; R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 2.93Å |
| 188 | M | 97.1 | Very high | 90.8 | Very high | 120 Ų | 120 | 82.2 Ų | 82.2 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 176.3 | -67.7 | -63 | -96 | 0 | 0 | 111.7 | Q184 N185 R186 K192 | Q184-M188 WeakPolarHBondContact O-CG 3.36Å; Q184-M188 PolarHBondContact O-N 3.11Å; N185-M188 PolarHBondContact O-N 2.81Å; R186-M188 VanDerWaalsContact C-N 3.34Å; R186-M188 PolarHBondContact O-N 2.97Å; M188-K192 PolarHBondContact O-N 3.45Å; M188-K192 VanDerWaalsContact O-N 3.09Å |
| 189 | K | 95 | Very high | 88.6 | Confident | 120 Ų | 120 | 82.1 Ų | 82.1 | 52% | 0.522 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 174 | -175.6 | 177.1 | 177.6 | -174.8 | 0 | 111.3 | N185 R186 K192 I193 | N185-K189 PolarHBondContact O-N 3.34Å; R186-K189 PolarHBondContact O-N 3.31Å; K189-K192 WeakPolarHBondContact O-CB 3.46Å; K189-K192 PolarHBondContact O-N 3.38Å; K189-I193 HydrophobicContact CG-CD1 3.93Å; K189-I193 WeakPolarHBondContact O-CG1 3.33Å; K189-I193 PolarHBondContact O-N 3.31Å |
| 190 | W | 94.6 | Very high | 86.4 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 36% | 0.36 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 178.2 | 176.1 | 72.9 | 0 | 0 | 0 | 111.7 | F154 R186 R187 K192 I193 V194 | F154-W190 HydrophobicContact CE1-CB 4.29Å; F154-W190 HydrophobicContact CE1-CG 4.38Å; F154-W190 HydrophobicContact CZ-CB 4.14Å; F154-W190 HydrophobicContact CZ-CG 4.34Å; R186-W190 WeakPolarHBondContact O-CB 3.34Å; R186-W190 PolarHBondContact O-N 3.35Å; R187-W190 PolarHBondContact O-N 3.41Å; W190-K192 VanDerWaalsContact C-N 3.28Å; W190-K192 PolarHBondContact O-N 3.38Å; W190-I193 PolarHBondContact O-N 3.44Å; W190-I193 VanDerWaalsContact O-N 3.08Å; W190-V194 HydrophobicContact CD2-CG2 4.06Å; W190-V194 HydrophobicContact CG-CG2 4.3Å; W190-V194 HydrophobicContact CZ2-CG2 3.95Å; W190-V194 WeakPolarHBondContact O-CG2 3.35Å; W190-V194 PolarHBondContact O-N 3.43Å |
| 191 | K | 94.4 | Very high | 84.4 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.2 | -42.7 | 175.7 | -173.9 | -178.4 | 69.4 | 167.6 | 0 | 111.6 | R187 I193 V194 L195 | R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 2.93Å; K191-I193 VanDerWaalsContact C-N 3.35Å; K191-I193 PolarHBondContact O-N 3.05Å; K191-V194 PolarHBondContact O-N 3.34Å; K191-L195 WeakPolarHBondContact O-CB 3.41Å; K191-L195 PolarHBondContact O-N 2.93Å |
| 192 | K | 91.3 | Very high | 82 | Confident | 133 Ų | 133 | 91.5 Ų | 91.5 | 58% | 0.578 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 177.2 | -175.3 | -179.2 | -67.4 | -176.5 | 0 | 111.7 | M188 K189 W190 Q196 | M188-K192 PolarHBondContact O-N 3.45Å; M188-K192 VanDerWaalsContact O-N 3.09Å; K189-K192 WeakPolarHBondContact O-CB 3.46Å; K189-K192 PolarHBondContact O-N 3.38Å; W190-K192 VanDerWaalsContact C-N 3.28Å; W190-K192 PolarHBondContact O-N 3.38Å; K192-Q196 VanDerWaalsContact O-CB 3.27Å; K192-Q196 WeakPolarHBondContact O-CB 3.46Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 2.73Å |
| 193 | I | 89.1 | Confident | 80.1 | Confident | 59 Ų | 59 | 96.2 Ų | 96.2 | 30% | 0.303 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 179.6 | -64.9 | 163 | 0 | 0 | 0 | 110.8 | K189 W190 K191 | K189-I193 HydrophobicContact CG-CD1 3.93Å; K189-I193 WeakPolarHBondContact O-CG1 3.33Å; K189-I193 PolarHBondContact O-N 3.31Å; W190-I193 PolarHBondContact O-N 3.44Å; W190-I193 VanDerWaalsContact O-N 3.08Å; K191-I193 VanDerWaalsContact C-N 3.35Å; K191-I193 PolarHBondContact O-N 3.05Å |
| 194 | V | 85.9 | Confident | 77.8 | Confident | 85 Ų | 85 | 101.8 Ų | 101.8 | 52% | 0.515 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -45.4 | 180 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | W190 K191 G197 | W190-V194 HydrophobicContact CD2-CG2 4.06Å; W190-V194 HydrophobicContact CG-CG2 4.3Å; W190-V194 HydrophobicContact CZ2-CG2 3.95Å; W190-V194 WeakPolarHBondContact O-CG2 3.35Å; W190-V194 PolarHBondContact O-N 3.43Å; K191-V194 PolarHBondContact O-N 3.34Å; V194-G197 PolarHBondContact O-N 3.3Å |
| 195 | L | 81.5 | Confident | 75.5 | Confident | 148 Ų | 148 | 105.3 Ų | 105.3 | 78% | 0.775 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.6 | -23 | -175.9 | -158.5 | 69.5 | 0 | 0 | 0 | 113.3 | K191 G197 | K191-L195 WeakPolarHBondContact O-CB 3.41Å; K191-L195 PolarHBondContact O-N 2.93Å; L195-G197 VanDerWaalsContact C-N 3.3Å |
| 196 | Q | 77.1 | Confident | 73.2 | Confident | 152 Ų | 152 | 106.3 Ų | 106.3 | 71% | 0.71 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 13.6 | 174.4 | -74.2 | -175.8 | -3.3 | 0 | 0 | 113.9 | K192 | K192-Q196 VanDerWaalsContact O-CB 3.27Å; K192-Q196 WeakPolarHBondContact O-CB 3.46Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 2.73Å |
| 197 | G | 60.2 | Low | 71 | Confident | 65 Ų | 65 | 113.3 Ų | 113.3 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.5 | 60.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V194 L195 G199 | V194-G197 PolarHBondContact O-N 3.3Å; L195-G197 VanDerWaalsContact C-N 3.3Å; G197-G199 VanDerWaalsContact C-N 3.34Å; G197-G199 PolarHBondContact O-N 3.47Å; G197-G199 VanDerWaalsContact O-N 3.11Å |
| 198 | G | 60.3 | Low | 68.6 | Low | 68 Ų | 68 | 112.9 Ų | 112.9 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 71.4 | 13.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | L200 | G198-L200 PolarHBondContact O-N 2.92Š|
| 199 | G | 52.1 | Low | 66.5 | Low | 52 Ų | 52 | 118 Ų | 118 | 54% | 0.536 | 65% | 0.646 | S | S | . | * | trans | -85.2 | 100.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G197 E201 | G197-G199 VanDerWaalsContact C-N 3.34Å; G197-G199 PolarHBondContact O-N 3.47Å; G197-G199 VanDerWaalsContact O-N 3.11Å; G199-E201 PolarHBondContact O-N 2.86Å | ||
| 200 | L | 51.4 | Low | 64.7 | Low | 163 Ų | 163 | 118 Ų | 118 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -68.5 | 61.4 | 158 | -72.2 | 174.3 | 0 | 0 | 0 | 109.8 | G198 | G198-L200 PolarHBondContact O-N 2.92Š| ||
| 201 | E | 55.8 | Low | 62.6 | Low | 133 Ų | 133 | 122.9 Ų | 122.9 | 62% | 0.621 | 68% | 0.682 | S | S | * | * | trans | -93.2 | 129.2 | 170.3 | -93.1 | -73.8 | 98.5 | 0 | 0 | 109.6 | G199 | G199-E201 PolarHBondContact O-N 2.86Š| ||
| 202 | S | 48.8 | Very low | 60.4 | Low | 65 Ų | 65 | 126.1 Ų | 126.1 | 46% | 0.455 | 70% | 0.696 | S | S | . | * | trans | -64.1 | 143 | -171.4 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | T204 | S202-T204 PolarHBondContact O-N 3.35Š| ||
| 203 | P | 56.9 | Low | 58.7 | Low | 131 Ų | 131 | 127 Ų | 127 | 85% | 0.851 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 11.9 | -178.6 | -26.7 | 36.1 | 0 | 0 | 0 | 118.3 | ||
| 204 | T | 51.6 | Low | 57 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -0.6 | -172.2 | 39.6 | 0 | 0 | 0 | 0 | 115.5 | S202 | S202-T204 PolarHBondContact O-N 3.35Š|
| 205 | K | 48.4 | Very low | 55.3 | Low | 156 Ų | 156 | 132.7 Ų | 132.7 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -92.3 | 119.7 | 167.8 | -98.2 | 152.5 | 179.4 | 169 | 0 | 110.5 | K207 | K205-K207 VanDerWaalsContact C-N 3.35Å; K205-K207 PolarHBondContact O-N 3.08Å |
| 206 | P | 50.7 | Low | 53.7 | Low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | trans | -62.9 | 103 | 168.6 | 26.1 | -30 | 0 | 0 | 0 | 106.9 | G208 | P206-G208 VanDerWaalsContact C-N 3.29Å; P206-G208 PolarHBondContact O-N 3.47Å | ||
| 207 | K | 51.5 | Low | 52.4 | Low | 199 Ų | 199 | 127 Ų | 127 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | trans | -62.6 | 98.2 | 173.5 | -160.7 | 79.5 | 166 | -175.3 | 0 | 106 | K205 R209 | K205-K207 VanDerWaalsContact C-N 3.35Å; K205-K207 PolarHBondContact O-N 3.08Å; K207-R209 PolarHBondContact O-N 3.25Å | ||
| 208 | G | 46.8 | Very low | 52.2 | Low | 62 Ų | 62 | 128.7 Ų | 128.7 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | trans | -49.4 | 139.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | P206 | P206-G208 VanDerWaalsContact C-N 3.29Å; P206-G208 PolarHBondContact O-N 3.47Å | ||
| 209 | R | 53.3 | Low | 51.9 | Low | 226 Ų | 226 | 132.9 Ų | 132.9 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -32.2 | 132.9 | 164.4 | -172 | -179.4 | -170.2 | -172 | 4.8 | 110.4 | K207 K211 | K207-R209 PolarHBondContact O-N 3.25Å; R209-K211 PolarHBondContact O-N 3.34Å | ||
| 210 | P | 57.2 | Low | 51.7 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -54.7 | 119.4 | 173.1 | 21 | -29.6 | 0 | 0 | 0 | 108.4 | K212 | P210-K212 PolarHBondContact O-N 2.91Š| ||
| 211 | K | 49.5 | Very low | 51.4 | Low | 198 Ų | 198 | 136 Ų | 136 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -64.9 | 106.8 | 169.9 | -81 | -175.7 | 174.6 | -178.8 | 0 | 106.1 | R209 N213 | R209-K211 PolarHBondContact O-N 3.34Å; K211-N213 PolarHBondContact O-N 3.23Å; K211-N213 VanDerWaalsContact O-N 3.09Å | ||
| 212 | K | 49.3 | Very low | 51.4 | Low | 184 Ų | 184 | 133.7 Ų | 133.7 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -54.2 | 111.9 | 154.1 | 64.2 | -175.4 | -174.6 | 174 | 0 | 105.7 | P210 | P210-K212 PolarHBondContact O-N 2.91Š| ||
| 213 | N | 55.5 | Low | 51.7 | Low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | 176.4 | 57.9 | 163.2 | -83.3 | -5.5 | 0 | 0 | 0 | 105.9 | K211 | K211-N213 PolarHBondContact O-N 3.23Å; K211-N213 VanDerWaalsContact O-N 3.09Å | ||
| 214 | S | 54.2 | Low | 51.2 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -146.1 | 68.7 | 156.9 | -170.6 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 215 | I | 48.4 | Very low | 51.3 | Low | 153 Ų | 153 | 140.7 Ų | 140.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -109.4 | 108.1 | 157.7 | -57.4 | 177.2 | 0 | 0 | 0 | 102.1 | S217 | I215-S217 PolarHBondContact O-N 3.03Š| ||
| 216 | P | 49.7 | Very low | 51.5 | Low | 104 Ų | 104 | 144.2 Ų | 144.2 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | trans | -57 | 127.9 | 168 | -18.2 | 30.9 | 0 | 0 | 0 | 107.6 | S218 | P216-S218 PolarHBondContact O-N 3.42Š| ||
| 217 | S | 47.9 | Very low | 51.5 | Low | 77 Ų | 77 | 142.4 Ų | 142.4 | 54% | 0.538 | 74% | 0.735 | S | S | . | * | trans | -57.7 | 136.2 | 176.3 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | I215 E219 Q220 | I215-S217 PolarHBondContact O-N 3.03Å; S217-E219 PolarHBondContact O-N 3.18Å; S217-Q220 PolarHBondContact O-N 3.39Å | ||
| 218 | S | 55.9 | Low | 51.6 | Low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -4.9 | -177.1 | -172.7 | 0 | 0 | 0 | 0 | 114.5 | P216 | P216-S218 PolarHBondContact O-N 3.42Š|
| 219 | E | 55.4 | Low | 51.9 | Low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -13.5 | -178 | -66.3 | -161.8 | 139.9 | 0 | 0 | 114.5 | S217 S222 | S217-E219 PolarHBondContact O-N 3.18Å; E219-S222 PolarHBondContact O-OG 3.05Å |
| 220 | Q | 47.9 | Very low | 51.8 | Low | 149 Ų | 149 | 137.3 Ų | 137.3 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -87.3 | -7.6 | 177.5 | -76.9 | -179.4 | -102.5 | 0 | 0 | 114.2 | S217 | S217-Q220 PolarHBondContact O-N 3.39Š|
| 221 | L | 45.3 | Very low | 51.1 | Low | 132 Ų | 132 | 135.3 Ų | 135.3 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -84.8 | -19.2 | 179.3 | -77 | 165.4 | 0 | 0 | 0 | 113.4 | ||
| 222 | S | 54.8 | Low | 50.8 | Low | 85 Ų | 85 | 132.8 Ų | 132.8 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -15.1 | -178.9 | 45.9 | 0 | 0 | 0 | 0 | 114.6 | E219 | E219-S222 PolarHBondContact O-OG 3.05Š|
| 223 | E | 54.5 | Low | 50.4 | Low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -23.4 | -177.1 | -64 | -177.2 | 157.7 | 0 | 0 | 113.1 | ||
| 224 | Q | 47.8 | Very low | 49.6 | Very low | 143 Ų | 143 | 132 Ų | 132 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -25.7 | 179.7 | -165.4 | 83 | 45.6 | 0 | 0 | 112.9 | R226 | Q224-R226 VanDerWaalsContact C-N 3.32Å; Q224-R226 PolarHBondContact O-N 3.04Å |
| 225 | E | 54.2 | Low | 49 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -9.8 | -179.8 | -75.3 | -160.5 | 109.5 | 0 | 0 | 113.9 | ||
| 226 | R | 51 | Low | 48.6 | Very low | 230 Ų | 230 | 134.6 Ų | 134.6 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -5.1 | -179.3 | -134.1 | 176.6 | -165.7 | -133.5 | 1.7 | 114.8 | Q224 | Q224-R226 VanDerWaalsContact C-N 3.32Å; Q224-R226 PolarHBondContact O-N 3.04Å |
| 227 | S | 51.5 | Low | 47.9 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -107.5 | 5.5 | -178.9 | 71.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 228 | V | 54.5 | Low | 47.5 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -108.2 | 2 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 229 | A | 51.8 | Low | 46.7 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -99.5 | 19.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 230 | D | 50.8 | Low | 46 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -145.7 | 100.5 | 173.3 | -125.5 | -61 | 0 | 0 | 0 | 110.3 | ||
| 231 | G | 44.3 | Very low | 45.8 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | 165.3 | 30.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 232 | D | 41.4 | Very low | 45.6 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -89.9 | 106.3 | 165.4 | -169.8 | -75.9 | 0 | 0 | 0 | 108.1 | ||||
| 233 | H | 42.1 | Very low | 45.3 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | trans | -172.4 | 115 | 144.2 | -101.7 | 13.9 | 0 | 0 | 0 | 113.5 | ||||
| 234 | Q | 38.3 | Very low | 44.6 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 58.6 | 117.2 | 137.8 | -56.5 | 177.6 | 32.8 | 0 | 0 | 119.9 | ||||
| 235 | S | 40.8 | Very low | 44.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | -163.4 | 132.7 | 103.5 | 89.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 236 | E | 39.9 | Very low | 43.8 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -70 | 165.6 | 167.6 | -53.8 | -152.4 | 131.1 | 0 | 0 | 112.2 | ||||
| 237 | G | 35.8 | Very low | 43.6 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | 144.2 | 101.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 238 | S | 38.8 | Very low | 43.2 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | 64.1 | 118.5 | 131.7 | -59.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 239 | S | 40.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | 90.8 | 148.1 | 72.9 | -168.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 240 | S | 41 | Very low | 42.1 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | 82.5 | 115 | 176.1 | 72.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 241 | H | 42.6 | Very low | 41.6 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | 56.3 | 103.1 | 52 | -168.6 | 82 | 0 | 0 | 0 | 113 | E243 | H241-E243 IonicContact CE1-OE2 3.57Å; H241-E243 IonicContact NE2-OE2 3.91Å | |||
| 242 | F | 41.7 | Very low | 41.5 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -146.4 | 105.3 | 151.4 | -102.3 | -82.6 | 0 | 0 | 0 | 109.1 | ||||
| 243 | E | 48.1 | Very low | 41.5 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | -58.2 | 140.1 | 143.9 | -97.7 | 166.9 | 91 | 0 | 0 | 108.7 | H241 | H241-E243 IonicContact CE1-OE2 3.57Å; H241-E243 IonicContact NE2-OE2 3.91Å | ||
| 244 | N | 39.7 | Very low | 41.4 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -139.5 | 124.1 | 151.6 | -160.6 | 38.9 | 0 | 0 | 0 | 110.4 | ||||
| 245 | T | 41.4 | Very low | 41.7 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 63% | 0.632 | 79% | 0.788 | S | S | * | * | trans | -80.2 | 175.7 | 172.8 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 246 | Q | 45 | Very low | 41.7 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | 88.3 | 141.5 | 169.9 | -64.8 | 177.9 | -56 | 0 | 0 | 115.3 | ||||
| 247 | E | 46.3 | Very low | 41.9 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -166.7 | 145.2 | 3.3 | -105.4 | 157.2 | 179.9 | 0 | 0 | 102 | ||||
| 248 | E | 42.1 | Very low | 42.4 | Very low | 266 Ų | 266 | 148.7 Ų | 148.7 | 100% | 1.243 | 78% | 0.781 | S | S | * | * | -179.6 | 0 | 64.7 | 178.1 | -176.5 | 119.4 | 0 | 0 | 106.5 |
Retrieved 248 of 248 residues in 58.9 ms
(Link to these results)