| 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 | 29.5 | Very low | 29.8 | Very low | 240 Ų | 240 | 151.4 Ų | 151.4 | 100% | 1.182 | 81% | 0.813 | S | S | * | * | 0 | 117.5 | 0 | -70.3 | 169.7 | -179.3 | 0 | 0 | 107.4 | |||||
| 2 | F | 21.3 | Very low | 30.3 | Very low | 206 Ų | 206 | 155.5 Ų | 155.5 | 90% | 0.904 | 82% | 0.818 | S | S | * | * | trans | -96.8 | 124.1 | 177.8 | -70.1 | -92.4 | 0 | 0 | 0 | 108.4 | ||||
| 3 | L | 33.3 | Very low | 31 | Very low | 177 Ų | 177 | 158.8 Ų | 158.8 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | trans | -122.1 | 89.5 | 168.8 | -70.4 | 175.7 | 0 | 0 | 0 | 108.9 | ||||
| 4 | N | 23.2 | Very low | 31.6 | Very low | 165 Ų | 165 | 160.4 Ų | 160.4 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -75.6 | 128.8 | 169.9 | -137.1 | -3.5 | 0 | 0 | 0 | 108 | ||||
| 5 | G | 26.7 | Very low | 31.8 | Very low | 60 Ų | 60 | 160.9 Ų | 160.9 | 62% | 0.619 | 82% | 0.817 | S | S | * | * | trans | -171.6 | 59.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | C7 | G5-C7 PolarHBondContact O-N 3.26Š| ||
| 6 | N | 27.4 | Very low | 32.1 | Very low | 135 Ų | 135 | 157.3 Ų | 157.3 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 39.3 | 37 | 134.8 | -50.3 | 9.8 | 0 | 0 | 0 | 121.5 | L8 | N6-L8 VanDerWaalsContact C-N 3.25Å; N6-L8 PolarHBondContact O-N 3.4Å | ||
| 7 | C | 30 | Very low | 32.2 | Very low | 90 Ų | 90 | 160 Ų | 160 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -2.3 | 179.9 | -158.2 | 0 | 0 | 0 | 0 | 115.5 | G5 | G5-C7 PolarHBondContact O-N 3.26Š|
| 8 | L | 33.8 | Very low | 32.1 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -23.3 | -175.1 | -138.6 | 108.1 | 0 | 0 | 0 | 113.8 | N6 | N6-L8 VanDerWaalsContact C-N 3.25Å; N6-L8 PolarHBondContact O-N 3.4Å |
| 9 | E | 29.9 | Very low | 32 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -84.4 | -23.7 | -175.6 | -68.3 | -147.4 | 133.8 | 0 | 0 | 113.7 | L11 | E9-L11 VanDerWaalsContact C-N 3.33Å; E9-L11 PolarHBondContact O-N 3.43Å |
| 10 | T | 34.6 | Very low | 32 | Very low | 107 Ų | 107 | 154 Ų | 154 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | G | 310 helix | trans | -77.8 | -16.2 | 178.9 | 2.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 11 | L | 38.7 | Very low | 32 | Very low | 155 Ų | 155 | 157.8 Ų | 157.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | G | 310 helix | trans | -76.2 | -22.8 | 179.9 | -154.4 | 82.9 | 0 | 0 | 0 | 112.8 | E9 K13 | E9-L11 VanDerWaalsContact C-N 3.33Å; E9-L11 PolarHBondContact O-N 3.43Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3Å |
| 12 | K | 35.4 | Very low | 31.9 | Very low | 201 Ų | 201 | 157.3 Ų | 157.3 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | G | 310 helix | trans | -81.3 | -6.9 | -173.7 | -109.1 | -176.6 | 174 | -178 | 0 | 115 | ||
| 13 | K | 39 | Very low | 32.5 | Very low | 199 Ų | 199 | 155 Ų | 155 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -119.2 | 7.6 | -166.7 | -134.3 | 175.6 | -176.9 | 179 | 0 | 115.5 | L11 | L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3Å |
| 14 | K | 40.3 | Very low | 32.4 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -138.7 | 53.9 | -173.8 | -150.5 | 178 | -175.9 | -179.6 | 0 | 113.1 | P16 | K14-P16 VanDerWaalsContact C-CD 3.42Å; K14-P16 WeakPolarHBondContact O-CD 3.24Å | ||
| 15 | E | 34 | Very low | 32.9 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -94.4 | 95.9 | 156.4 | -105.5 | -97.3 | 144.5 | 0 | 0 | 107.3 | ||||
| 16 | P | 37.5 | Very low | 33.2 | Very low | 102 Ų | 102 | 154.1 Ų | 154.1 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -86.9 | 125.1 | 160.6 | 31.8 | -27 | 0 | 0 | 0 | 108.9 | K14 G18 | K14-P16 VanDerWaalsContact C-CD 3.42Å; K14-P16 WeakPolarHBondContact O-CD 3.24Å; P16-G18 PolarHBondContact O-N 3.18Å | ||
| 17 | E | 33.5 | Very low | 33.1 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -41.3 | 104.7 | 169.9 | -73.3 | 168.7 | 121.1 | 0 | 0 | 111.7 | ||
| 18 | G | 30.5 | Very low | 33.1 | Very low | 76 Ų | 76 | 153.6 Ų | 153.6 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 177.6 | 83.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P16 | P16-G18 PolarHBondContact O-N 3.18Š|
| 19 | G | 30.2 | Very low | 33 | Very low | 75 Ų | 75 | 152.2 Ų | 152.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 88.2 | 39.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | R21 | G19-R21 PolarHBondContact O-N 3.17Š| ||
| 20 | R | 31 | Very low | 32.9 | Very low | 209 Ų | 209 | 147.2 Ų | 147.2 | 79% | 0.789 | 78% | 0.776 | S | S | * | * | trans | -67.7 | 80.3 | 166.9 | -164.7 | 176 | -173.4 | -154 | 3.4 | 110.4 | R22 | R20-R22 PolarHBondContact O-N 3Å; R20-R22 VanDerWaalsContact O-N 3.07Å | ||
| 21 | R | 32.8 | Very low | 33 | Very low | 233 Ų | 233 | 153.4 Ų | 153.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 113.1 | 156.8 | -81.3 | -172.2 | 178.4 | 176.8 | 0.7 | 105.8 | G19 L23 | G19-R21 PolarHBondContact O-N 3.17Å; R21-L23 PolarHBondContact O-N 3.27Å | ||
| 22 | R | 27.3 | Very low | 32.6 | Very low | 231 Ų | 231 | 154.3 Ų | 154.3 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -60.6 | 86.8 | 171.8 | -62.1 | 177.4 | -164.8 | -117.2 | 1.6 | 107.4 | R20 S24 | R20-R22 PolarHBondContact O-N 3Å; R20-R22 VanDerWaalsContact O-N 3.07Å; R22-S24 VanDerWaalsContact C-N 3.35Å; R22-S24 PolarHBondContact O-N 3.09Å | ||
| 23 | L | 34.3 | Very low | 32.2 | Very low | 158 Ų | 158 | 154.7 Ų | 154.7 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -64.9 | 106.7 | 159.9 | -89.3 | 154.6 | 0 | 0 | 0 | 104.7 | R21 H25 | R21-L23 PolarHBondContact O-N 3.27Å; L23-H25 PolarHBondContact O-N 2.88Å | ||
| 24 | S | 31.1 | Very low | 31.9 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -37.1 | 131.7 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | R22 | R22-S24 VanDerWaalsContact C-N 3.35Å; R22-S24 PolarHBondContact O-N 3.09Å | ||
| 25 | H | 32.8 | Very low | 31.4 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | -35 | 141.7 | 167.3 | -100.5 | 30.3 | 0 | 0 | 0 | 110 | L23 G27 | L23-H25 PolarHBondContact O-N 2.88Å; H25-G27 PolarHBondContact O-N 2.9Å | ||
| 26 | P | 33.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -67.9 | 70.2 | 163 | 31.1 | -31.3 | 0 | 0 | 0 | 107.7 | N28 M29 | P26-N28 PolarHBondContact O-N 3.48Å; P26-M29 HydrophobicContact CB-CE 3.82Å | ||
| 27 | G | 25.2 | Very low | 30.7 | Very low | 61 Ų | 61 | 148.9 Ų | 148.9 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 120.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | H25 | H25-G27 PolarHBondContact O-N 2.9Š|
| 28 | N | 31.2 | Very low | 30.6 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.9 | 43.4 | 166.7 | -159.3 | 30.3 | 0 | 0 | 0 | 117 | P26 G30 | P26-N28 PolarHBondContact O-N 3.48Å; N28-G30 PolarHBondContact O-N 3.48Å |
| 29 | M | 31 | Very low | 30.6 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | trans | -75.6 | 107.9 | 143.1 | -80.9 | -173.2 | -78.8 | 0 | 0 | 105.2 | P26 W31 | P26-M29 HydrophobicContact CB-CE 3.82Å; M29-W31 VanDerWaalsContact C-N 3.31Å; M29-W31 PolarHBondContact O-N 3.39Å | ||
| 30 | G | 27.8 | Very low | 30.8 | Very low | 65 Ų | 65 | 149.8 Ų | 149.8 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | -60.8 | 95.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109 | N28 M32 | N28-G30 PolarHBondContact O-N 3.48Å; G30-M32 PolarHBondContact O-N 3.05Å | ||
| 31 | W | 36.7 | Very low | 31 | Very low | 237 Ų | 237 | 145.7 Ų | 145.7 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -58.1 | 109.6 | 168.9 | -60.4 | 57.9 | 0 | 0 | 0 | 103.7 | M29 R33 | M29-W31 VanDerWaalsContact C-N 3.31Å; M29-W31 PolarHBondContact O-N 3.39Å; W31-R33 PolarHBondContact O-N 3.22Å | ||
| 32 | M | 29.8 | Very low | 30.7 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -61.4 | 94.5 | 168.2 | -84 | -148.4 | 163.4 | 0 | 0 | 105.9 | G30 | G30-M32 PolarHBondContact O-N 3.05Š| ||
| 33 | R | 27.2 | Very low | 30.8 | Very low | 208 Ų | 208 | 141.4 Ų | 141.4 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -53.5 | 125.1 | 170.5 | -166.4 | 178.2 | -170.8 | 168.8 | 1.7 | 104.9 | W31 S35 | W31-R33 PolarHBondContact O-N 3.22Å; R33-S35 PolarHBondContact O-N 3.41Å | ||
| 34 | P | 33.2 | Very low | 30.4 | Very low | 87 Ų | 87 | 138 Ų | 138 | 57% | 0.565 | 75% | 0.752 | S | S | * | * | trans | -52.5 | 114.6 | 172.6 | -19.1 | 28.5 | 0 | 0 | 0 | 106.3 | Q36 W101 | P34-Q36 PolarHBondContact O-N 2.86Å; P34-W101 HydrophobicContact CG-CH2 3.72Å; P34-W101 HydrophobicContact CG-CZ2 4.48Å; P34-W101 HydrophobicContact CG-CZ3 4.19Å | ||
| 35 | S | 29.9 | Very low | 30.3 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -57.7 | 118 | 172.7 | -162.2 | 0 | 0 | 0 | 0 | 105.3 | R33 E37 | R33-S35 PolarHBondContact O-N 3.41Å; S35-E37 PolarHBondContact O-N 2.89Å | ||
| 36 | Q | 27.9 | Very low | 30.2 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -51.1 | 139.3 | -177.9 | -81.1 | 173.6 | -3.8 | 0 | 0 | 110 | P34 | P34-Q36 PolarHBondContact O-N 2.86Š|
| 37 | E | 28.4 | Very low | 30 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | 60.8 | 79.1 | 153.6 | -102.4 | 160.7 | 120 | 0 | 0 | 116.4 | S35 | S35-E37 PolarHBondContact O-N 2.89Š| ||
| 38 | T | 31.8 | Very low | 30.2 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | -114.2 | 107 | 139.4 | 38.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 39 | T | 29.7 | Very low | 30.2 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | -35.3 | 130.7 | 173 | -46.8 | 0 | 0 | 0 | 0 | 111.2 | P41 | T39-P41 WeakPolarHBondContact O-CD 3.34Å; T39-P41 VanDerWaalsContact O-N 3.1Å | ||
| 40 | P | 34.1 | Very low | 30.1 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | -64.3 | 114.7 | 178.7 | 25.3 | -30.3 | 0 | 0 | 0 | 108.5 | D42 | P40-D42 PolarHBondContact O-N 3.16Š| ||
| 41 | P | 34.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | trans | -78.7 | 111.7 | 171.5 | 24.4 | -12.9 | 0 | 0 | 0 | 107.3 | T39 | T39-P41 WeakPolarHBondContact O-CD 3.34Å; T39-P41 VanDerWaalsContact O-N 3.1Å | ||
| 42 | D | 28.4 | Very low | 30.2 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | 20.9 | 130.1 | 144.8 | -150.4 | -0.3 | 0 | 0 | 0 | 119.1 | P40 S44 | P40-D42 PolarHBondContact O-N 3.16Å; D42-S44 PolarHBondContact O-N 3.09Å | ||
| 43 | R | 27.7 | Very low | 30.4 | Very low | 238 Ų | 238 | 120.6 Ų | 120.6 | 90% | 0.898 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -37.3 | 104.5 | 172.2 | -71 | 167.3 | 157.8 | 154.7 | -6.5 | 112.6 | ||
| 44 | S | 26 | Very low | 30.5 | Very low | 86 Ų | 86 | 112 Ų | 112 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | trans | -167.4 | 121.9 | 160.1 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | D42 | D42-S44 PolarHBondContact O-N 3.09Š| ||
| 45 | H | 29.9 | Very low | 30.5 | Very low | 184 Ų | 184 | 112.1 Ų | 112.1 | 85% | 0.852 | 62% | 0.623 | S | S | * | * | trans | 59.1 | 77.2 | 159.8 | -54.9 | -77.1 | 0 | 0 | 0 | 118.6 | S47 | H45-S47 PolarHBondContact O-N 2.95Š| ||
| 46 | H | 30.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 112.5 Ų | 112.5 | 63% | 0.634 | 62% | 0.623 | S | S | * | * | trans | -72.1 | 92.2 | 164.5 | -61.6 | -59.1 | 0 | 0 | 0 | 110.9 | ||||
| 47 | S | 29 | Very low | 30.8 | Very low | 97 Ų | 97 | 107 Ų | 107 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | trans | -70.1 | 128.8 | 158.4 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | H45 F49 | H45-S47 PolarHBondContact O-N 2.95Å; S47-F49 WeakPolarHBondContact O-CD2 3.39Å; S47-F49 VanDerWaalsContact O-CE2 3.26Å; S47-F49 WeakPolarHBondContact O-CE2 3.47Å | ||
| 48 | G | 29.1 | Very low | 31.1 | Very low | 35 Ų | 35 | 105.6 Ų | 105.6 | 36% | 0.361 | 61% | 0.612 | S | S | . | * | trans | -63.7 | 151.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | W66 | G48-W66 VanDerWaalsContact O-CZ3 3.24Å; G48-W66 WeakPolarHBondContact O-CZ3 3.35Å | ||
| 49 | F | 30.7 | Very low | 31 | Very low | 127 Ų | 127 | 108 Ų | 108 | 56% | 0.557 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.6 | -176.2 | -69.8 | -86.7 | 0 | 0 | 0 | 110.3 | S47 | S47-F49 WeakPolarHBondContact O-CD2 3.39Å; S47-F49 VanDerWaalsContact O-CE2 3.26Å; S47-F49 WeakPolarHBondContact O-CE2 3.47Å |
| 50 | G | 30 | Very low | 31 | Very low | 34 Ų | 34 | 107.3 Ų | 107.3 | 35% | 0.351 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | L65 | G50-L65 WeakPolarHBondContact CA-O 3.26Å |
| 51 | L | 32 | Very low | 30.7 | Very low | 28 Ų | 28 | 109.9 Ų | 109.9 | 15% | 0.147 | 61% | 0.606 | C | S | . | * | trans | -92.7 | 131.6 | 170 | -90.6 | -179.1 | 0 | 0 | 0 | 111.9 | M72 | L51-M72 HydrophobicContact CD1-CE 3.49Å; L51-M72 VanDerWaalsContact CD1-CE 3.49Å; L51-M72 HydrophobicContact CD1-CG 3.47Å; L51-M72 VanDerWaalsContact CD1-CG 3.47Å; L51-M72 HydrophobicContact CD1-SD 3.13Å; L51-M72 WeakPolarHBondContact CD1-SD 3.28Å; L51-M72 HydrophobicContact CD2-CE 4.42Å; L51-M72 HydrophobicContact CD2-SD 3.99Å; L51-M72 HydrophobicContact CG-CE 3.56Å; L51-M72 HydrophobicContact CG-SD 3.59Å; L51-M72 VanDerWaalsContact CG-SD 3.59Å | ||
| 52 | F | 34.1 | Very low | 30.5 | Very low | 121 Ų | 121 | 108.7 Ų | 108.7 | 53% | 0.531 | 60% | 0.599 | S | S | . | * | trans | -107.1 | 107.5 | 170.4 | -61.5 | -79.1 | 0 | 0 | 0 | 110.4 | P62 F63 C107 | F52-P62 HydrophobicContact CD1-CB 4.25Å; F52-P62 HydrophobicContact CE1-CB 3.66Å; F52-F63 WeakPolarHBondContact CE1-O 3.37Å; F52-C107 PolarHBondContact O-SG 3.49Å; F52-C107 VanDerWaalsContact O-SG 3.41Å | ||
| 53 | C | 33.3 | Very low | 30.7 | Very low | 76 Ų | 76 | 108.4 Ų | 108.4 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | trans | -108.1 | 88.3 | 166.3 | -76.1 | 0 | 0 | 0 | 0 | 107.7 | R130 | C53-R130 PolarHBondContact O-NH2 2.84Š| ||
| 54 | G | 29.4 | Very low | 30.9 | Very low | 28 Ų | 28 | 100.8 Ų | 100.8 | 29% | 0.289 | 58% | 0.575 | S | S | . | * | trans | -140.5 | 132 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R130 | G54-R130 VanDerWaalsContact N-NH2 3.13Š| ||
| 55 | D | 33 | Very low | 31.2 | Very low | 89 Ų | 89 | 100.7 Ų | 100.7 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | trans | -69.8 | 126.7 | 149.9 | -107.5 | -35.9 | 0 | 0 | 0 | 104.6 | G57 | D55-G57 PolarHBondContact O-N 3.07Š| ||
| 56 | P | 31.9 | Very low | 31.4 | Very low | 126 Ų | 126 | 100.8 Ų | 100.8 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | trans | -74 | 79 | -176.7 | 31 | -33 | 0 | 0 | 0 | 108.9 | ||||
| 57 | G | 31.9 | Very low | 31.5 | Very low | 34 Ų | 34 | 95 Ų | 95 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | trans | -77.4 | 149 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D55 E59 I60 | D55-G57 PolarHBondContact O-N 3.07Å; G57-E59 PolarHBondContact O-N 3.28Å; G57-I60 PolarHBondContact O-N 2.69Å | ||
| 58 | P | 34.8 | Very low | 32 | Very low | 145 Ų | 145 | 96 Ų | 96 | 94% | 0.942 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 1.3 | -172.8 | 25.3 | -33.9 | 0 | 0 | 0 | 115.7 | ||
| 59 | E | 31 | Very low | 32.7 | Very low | 187 Ų | 187 | 96.9 Ų | 96.9 | 87% | 0.874 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 7.4 | -171.8 | -71.1 | -176.9 | 158.5 | 0 | 0 | 114.6 | G57 | G57-E59 PolarHBondContact O-N 3.28Š|
| 60 | I | 29.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 97.9 Ų | 97.9 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | trans | -98.1 | 112 | -178.6 | -56.5 | 178.4 | 0 | 0 | 0 | 109.9 | G57 | G57-I60 PolarHBondContact O-N 2.69Š| ||
| 61 | E | 28.5 | Very low | 34.1 | Very low | 172 Ų | 172 | 101 Ų | 101 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | trans | -64.1 | 130.1 | 170.6 | -109.4 | -153.1 | 132.5 | 0 | 0 | 110.4 | F63 | E61-F63 PolarHBondContact O-N 3Š| ||
| 62 | P | 30.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 99.9 Ų | 99.9 | 64% | 0.643 | 53% | 0.532 | S | S | * | . | trans | -67.1 | 126.3 | 176.1 | 25.7 | -30.6 | 0 | 0 | 0 | 110.2 | F52 | F52-P62 HydrophobicContact CD1-CB 4.25Å; F52-P62 HydrophobicContact CE1-CB 3.66Å | ||
| 63 | F | 31.9 | Very low | 35.6 | Very low | 131 Ų | 131 | 96.9 Ų | 96.9 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | trans | -108.1 | 144.6 | 165.8 | 68.6 | -88.6 | 0 | 0 | 0 | 110.4 | F52 E61 L65 | F52-F63 WeakPolarHBondContact CE1-O 3.37Å; E61-F63 PolarHBondContact O-N 3Å; F63-L65 HydrophobicContact CE2-CB 4.42Å | ||
| 64 | S | 31.7 | Very low | 36.4 | Very low | 78 Ų | 78 | 98.8 Ų | 98.8 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | trans | -102.5 | 110.7 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 65 | L | 33 | Very low | 37.3 | Very low | 84 Ų | 84 | 101.4 Ų | 101.4 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | trans | -95.1 | 118.5 | 170.9 | -159.4 | 82.1 | 0 | 0 | 0 | 109.5 | G50 F63 V67 | G50-L65 WeakPolarHBondContact CA-O 3.26Å; F63-L65 HydrophobicContact CE2-CB 4.42Å; L65-V67 HydrophobicContact CB-CG2 4.29Å; L65-V67 HydrophobicContact CD2-CG2 3.74Å; L65-V67 HydrophobicContact CG-CG2 4.04Å; L65-V67 PolarHBondContact O-N 3.13Å | ||
| 66 | W | 32.8 | Very low | 38.3 | Very low | 186 Ų | 186 | 99 Ų | 99 | 71% | 0.705 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.2 | 176.3 | -63.4 | 88.4 | 0 | 0 | 0 | 109.3 | G48 | G48-W66 VanDerWaalsContact O-CZ3 3.24Å; G48-W66 WeakPolarHBondContact O-CZ3 3.35Å |
| 67 | V | 34.1 | Very low | 39.2 | Very low | 14 Ų | 14 | 97.1 Ų | 97.1 | 9% | 0.085 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.9 | 180 | -128.2 | 0 | 0 | 0 | 0 | 111.4 | L65 M72 E75 | L65-V67 HydrophobicContact CB-CG2 4.29Å; L65-V67 HydrophobicContact CD2-CG2 3.74Å; L65-V67 HydrophobicContact CG-CG2 4.04Å; L65-V67 PolarHBondContact O-N 3.13Å; V67-M72 HydrophobicContact CB-CB 4.42Å; V67-M72 HydrophobicContact CB-CE 3.74Å; V67-M72 HydrophobicContact CG2-CE 3.78Å; V67-E75 WeakPolarHBondContact CG1-OE2 3.28Å |
| 68 | F | 39.5 | Very low | 40.1 | Very low | 119 Ų | 119 | 101.5 Ų | 101.5 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | trans | -74.2 | 144.8 | 173.9 | -70.7 | -83.2 | 0 | 0 | 0 | 110.8 | Q70 E71 M72 | F68-Q70 VanDerWaalsContact C-N 3.26Å; F68-Q70 PolarHBondContact O-N 3.1Å; F68-Q70 VanDerWaalsContact O-N 3.1Å; F68-E71 HydrophobicContact CB-CG 4.4Å; F68-E71 WeakPolarHBondContact CD2-OE2 3.34Å; F68-E71 PolarHBondContact O-N 2.9Å; F68-E71 VanDerWaalsContact O-N 3.13Å; F68-M72 WeakPolarHBondContact O-CB 3.4Å; F68-M72 PolarHBondContact O-N 3.05Å | ||
| 69 | P | 43.6 | Very low | 40.8 | Very low | 53 Ų | 53 | 99.7 Ų | 99.7 | 34% | 0.344 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58 | -29.5 | -171.8 | -25.8 | 33.5 | 0 | 0 | 0 | 115.6 | T103 | P69-T103 HydrophobicContact CB-CG2 4.39Å |
| 70 | Q | 43.4 | Very low | 41.5 | Very low | 148 Ų | 148 | 92.4 Ų | 92.4 | 69% | 0.692 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -80.8 | -37.3 | 178.6 | -63.2 | 103.2 | 22.4 | 0 | 0 | 112.6 | F68 M72 | F68-Q70 VanDerWaalsContact C-N 3.26Å; F68-Q70 PolarHBondContact O-N 3.1Å; F68-Q70 VanDerWaalsContact O-N 3.1Å; Q70-M72 VanDerWaalsContact C-N 3.32Å |
| 71 | E | 47 | Very low | 42.3 | Very low | 100 Ų | 100 | 91.6 Ų | 91.6 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 177.2 | -67.1 | 171.6 | 167.5 | 0 | 0 | 110.5 | F68 V73 L74 E75 | F68-E71 HydrophobicContact CB-CG 4.4Å; F68-E71 WeakPolarHBondContact CD2-OE2 3.34Å; F68-E71 PolarHBondContact O-N 2.9Å; F68-E71 VanDerWaalsContact O-N 3.13Å; E71-V73 VanDerWaalsContact C-N 3.31Å; E71-V73 PolarHBondContact O-N 2.76Å; E71-L74 PolarHBondContact O-N 3.41Å; E71-E75 WeakPolarHBondContact O-CG 3.44Å; E71-E75 PolarHBondContact O-N 3.31Å |
| 72 | M | 48 | Very low | 43.3 | Very low | 5 Ų | 5 | 89.9 Ų | 89.9 | 3% | 0.025 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 178.5 | -168.2 | -178.4 | -70.5 | 0 | 0 | 113.3 | L51 V67 F68 Q70 L74 I76 T103 | L51-M72 HydrophobicContact CD1-CE 3.49Å; L51-M72 VanDerWaalsContact CD1-CE 3.49Å; L51-M72 HydrophobicContact CD1-CG 3.47Å; L51-M72 VanDerWaalsContact CD1-CG 3.47Å; L51-M72 HydrophobicContact CD1-SD 3.13Å; L51-M72 WeakPolarHBondContact CD1-SD 3.28Å; L51-M72 HydrophobicContact CD2-CE 4.42Å; L51-M72 HydrophobicContact CD2-SD 3.99Å; L51-M72 HydrophobicContact CG-CE 3.56Å; L51-M72 HydrophobicContact CG-SD 3.59Å; L51-M72 VanDerWaalsContact CG-SD 3.59Å; V67-M72 HydrophobicContact CB-CB 4.42Å; V67-M72 HydrophobicContact CB-CE 3.74Å; V67-M72 HydrophobicContact CG2-CE 3.78Å; F68-M72 WeakPolarHBondContact O-CB 3.4Å; F68-M72 PolarHBondContact O-N 3.05Å; Q70-M72 VanDerWaalsContact C-N 3.32Å; M72-L74 VanDerWaalsContact C-N 3.33Å; M72-I76 HydrophobicContact CG-CD1 3.84Å; M72-I76 WeakPolarHBondContact O-CB 3.49Å; M72-I76 VanDerWaalsContact O-CD1 3.28Å; M72-I76 WeakPolarHBondContact O-CD1 3.14Å; M72-I76 WeakPolarHBondContact O-CG1 3.03Å; M72-I76 PolarHBondContact O-N 3.05Å; M72-T103 HydrophobicContact CE-CG2 3.72Å; M72-T103 HydrophobicContact SD-CG2 3.21Å; M72-T103 WeakPolarHBondContact SD-CG2 3.13Å |
| 73 | V | 48.5 | Very low | 44.1 | Very low | 57 Ų | 57 | 89.2 Ų | 89.2 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.1 | -34.9 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | E71 H77 A99 | E71-V73 VanDerWaalsContact C-N 3.31Å; E71-V73 PolarHBondContact O-N 2.76Å; V73-H77 VanDerWaalsContact O-CB 3.29Å; V73-H77 WeakPolarHBondContact O-CB 3.29Å; V73-H77 PolarHBondContact O-N 3.05Å; V73-A99 HydrophobicContact CG1-CB 4.1Å |
| 74 | L | 49.8 | Very low | 44.6 | Very low | 116 Ų | 116 | 92.6 Ų | 92.6 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77.5 | -41.5 | 178.4 | -68.6 | 172 | 0 | 0 | 0 | 112.1 | E71 M72 H77 Q78 | E71-L74 PolarHBondContact O-N 3.41Å; M72-L74 VanDerWaalsContact C-N 3.33Å; L74-H77 WeakPolarHBondContact O-CB 3.21Å; L74-H77 PolarHBondContact O-N 3.37Å; L74-H77 VanDerWaalsContact O-N 3.16Å; L74-Q78 PolarHBondContact O-N 3.08Å |
| 75 | E | 49.6 | Very low | 45.3 | Very low | 84 Ų | 84 | 92.6 Ų | 92.6 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 175.4 | -74.8 | -176.3 | -179.9 | 0 | 0 | 111.3 | V67 E71 H77 Q78 L79 | V67-E75 WeakPolarHBondContact CG1-OE2 3.28Å; E71-E75 WeakPolarHBondContact O-CG 3.44Å; E71-E75 PolarHBondContact O-N 3.31Å; E75-H77 VanDerWaalsContact C-N 3.32Å; E75-H77 PolarHBondContact O-N 3.03Å; E75-Q78 PolarHBondContact O-N 3.08Å; E75-L79 WeakPolarHBondContact O-CB 2.98Å; E75-L79 PolarHBondContact O-N 3.37Å |
| 76 | I | 52.2 | Low | 45.8 | Very low | 38 Ų | 38 | 93.6 Ų | 93.6 | 20% | 0.195 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 170.7 | -73.9 | 170.1 | 0 | 0 | 0 | 109.2 | M72 Q78 L79 F80 | M72-I76 HydrophobicContact CG-CD1 3.84Å; M72-I76 WeakPolarHBondContact O-CB 3.49Å; M72-I76 VanDerWaalsContact O-CD1 3.28Å; M72-I76 WeakPolarHBondContact O-CD1 3.14Å; M72-I76 WeakPolarHBondContact O-CG1 3.03Å; M72-I76 PolarHBondContact O-N 3.05Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 3.43Å; I76-L79 PolarHBondContact O-N 3.32Å; I76-F80 HydrophobicContact CG2-CD2 3.68Å; I76-F80 HydrophobicContact CG2-CE2 3.76Å; I76-F80 WeakPolarHBondContact O-CD2 3.41Å; I76-F80 PolarHBondContact O-N 3.03Å; I76-F80 VanDerWaalsContact O-N 3.08Å |
| 77 | H | 51.2 | Low | 46.2 | Very low | 87 Ų | 87 | 86.4 Ų | 86.4 | 40% | 0.403 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 179 | -171.3 | -78.7 | 0 | 0 | 0 | 112.6 | V73 L74 E75 F80 M81 | V73-H77 VanDerWaalsContact O-CB 3.29Å; V73-H77 WeakPolarHBondContact O-CB 3.29Å; V73-H77 PolarHBondContact O-N 3.05Å; L74-H77 WeakPolarHBondContact O-CB 3.21Å; L74-H77 PolarHBondContact O-N 3.37Å; L74-H77 VanDerWaalsContact O-N 3.16Å; E75-H77 VanDerWaalsContact C-N 3.32Å; E75-H77 PolarHBondContact O-N 3.03Å; H77-F80 PolarHBondContact O-N 3.44Å; H77-M81 VanDerWaalsContact O-CG 3.28Å; H77-M81 WeakPolarHBondContact O-CG 3.41Å; H77-M81 PolarHBondContact O-N 2.69Å |
| 78 | Q | 51.4 | Low | 46.8 | Very low | 126 Ų | 126 | 93 Ų | 93 | 59% | 0.589 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.1 | -47.6 | 177.6 | -76.1 | 175.5 | -26.7 | 0 | 0 | 112.3 | L74 E75 I76 F80 M81 D82 | L74-Q78 PolarHBondContact O-N 3.08Å; E75-Q78 PolarHBondContact O-N 3.08Å; I76-Q78 VanDerWaalsContact C-N 3.34Å; I76-Q78 PolarHBondContact O-N 3.43Å; Q78-F80 PolarHBondContact O-N 3.49Å; Q78-M81 PolarHBondContact O-N 3.04Å; Q78-D82 PolarHBondContact O-N 2.83Å; Q78-D82 VanDerWaalsContact O-N 3.08Å |
| 79 | L | 50.3 | Low | 47.1 | Very low | 107 Ų | 107 | 94 Ų | 94 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -53.9 | -29 | 173.8 | -97 | 154.8 | 0 | 0 | 0 | 112.9 | E75 I76 H83 | E75-L79 WeakPolarHBondContact O-CB 2.98Å; E75-L79 PolarHBondContact O-N 3.37Å; I76-L79 PolarHBondContact O-N 3.32Å; L79-H83 PolarHBondContact O-CD2 2.94Å; L79-H83 VanDerWaalsContact O-CD2 3.31Å |
| 80 | F | 45 | Very low | 47.3 | Very low | 34 Ų | 34 | 93.3 Ų | 93.3 | 15% | 0.149 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -93.9 | -18 | 178.8 | -75.1 | -62.2 | 0 | 0 | 0 | 115.1 | I76 H77 Q78 Y85 T91 W110 | I76-F80 HydrophobicContact CG2-CD2 3.68Å; I76-F80 HydrophobicContact CG2-CE2 3.76Å; I76-F80 WeakPolarHBondContact O-CD2 3.41Å; I76-F80 PolarHBondContact O-N 3.03Å; I76-F80 VanDerWaalsContact O-N 3.08Å; H77-F80 PolarHBondContact O-N 3.44Å; Q78-F80 PolarHBondContact O-N 3.49Å; F80-Y85 AromaticContact CD1-CE2 3.94Å; F80-Y85 HydrophobicContact CD1-CE2 3.94Å; F80-Y85 HydrophobicContact CE1-CE2 4.45Å; F80-T91 HydrophobicContact CB-CG2 3.95Å; F80-W110 HydrophobicContact CD1-CH2 4.46Å; F80-W110 AromaticContact CD1-CZ2 3.85Å; F80-W110 HydrophobicContact CD1-CZ2 3.85Å; F80-W110 HydrophobicContact CD2-CZ2 4.29Å; F80-W110 AromaticContact CE1-CH2 3.33Å; F80-W110 HydrophobicContact CE1-CH2 3.33Å; F80-W110 AromaticContact CE1-CZ2 3.06Å; F80-W110 HydrophobicContact CE1-CZ2 3.06Å; F80-W110 AromaticContact CE2-CE2 3.8Å; F80-W110 HydrophobicContact CE2-CH2 4.18Å; F80-W110 AromaticContact CE2-CZ2 3.61Å; F80-W110 HydrophobicContact CE2-CZ2 3.61Å; F80-W110 AromaticContact CE2-NE1 3.98Å; F80-W110 HydrophobicContact CG-CZ2 4.45Å; F80-W110 HydrophobicContact CZ-CD2 4.44Å; F80-W110 AromaticContact CZ-CE2 3.6Å; F80-W110 AromaticContact CZ-CH2 3.18Å; F80-W110 HydrophobicContact CZ-CH2 3.18Å; F80-W110 AromaticContact CZ-CZ2 2.95Å; F80-W110 HydrophobicContact CZ-CZ2 2.95Å; F80-W110 HydrophobicContact CZ-CZ3 4.04Å |
| 81 | M | 45.3 | Very low | 47.7 | Very low | 86 Ų | 86 | 87.1 Ų | 87.1 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -82.8 | -29 | 172.1 | -71.1 | -66 | 95.6 | 0 | 0 | 112.3 | H77 Q78 H83 T91 | H77-M81 VanDerWaalsContact O-CG 3.28Å; H77-M81 WeakPolarHBondContact O-CG 3.41Å; H77-M81 PolarHBondContact O-N 2.69Å; Q78-M81 PolarHBondContact O-N 3.04Å; M81-H83 VanDerWaalsContact C-N 3.25Å; M81-H83 PolarHBondContact O-N 2.85Å; M81-T91 HydrophobicContact CE-CG2 3.67Å |
| 82 | D | 49.9 | Very low | 48.1 | Very low | 136 Ų | 136 | 85.5 Ų | 85.5 | 73% | 0.727 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -74.2 | -14.9 | 179.6 | -74 | -15 | 0 | 0 | 0 | 113.8 | Q78 | Q78-D82 PolarHBondContact O-N 2.83Å; Q78-D82 VanDerWaalsContact O-N 3.08Å |
| 83 | H | 48.3 | Very low | 48.3 | Very low | 85 Ų | 85 | 90.2 Ų | 90.2 | 39% | 0.394 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -105.4 | 113.4 | 172.7 | -68.3 | -56.4 | 0 | 0 | 0 | 109.3 | L79 M81 Y85 | L79-H83 PolarHBondContact O-CD2 2.94Å; L79-H83 VanDerWaalsContact O-CD2 3.31Å; M81-H83 VanDerWaalsContact C-N 3.25Å; M81-H83 PolarHBondContact O-N 2.85Å; H83-Y85 VanDerWaalsContact C-N 3.3Å; H83-Y85 HydrophobicContact CB-CD2 4.18Å; H83-Y85 HydrophobicContact CB-CE2 3.84Å; H83-Y85 WeakPolarHBondContact O-CD2 3.16Å; H83-Y85 PolarHBondContact O-N 3.21Å |
| 84 | E | 42.8 | Very low | 48.7 | Very low | 202 Ų | 202 | 87.8 Ų | 87.8 | 94% | 0.944 | 44% | 0.441 | S | S | * | . | trans | -54.6 | 87.7 | 175.2 | -82.1 | -178.3 | 137.5 | 0 | 0 | 111.6 | ||||
| 85 | Y | 46.3 | Very low | 49 | Very low | 78 Ų | 78 | 83 Ų | 83 | 31% | 0.306 | 42% | 0.416 | S | S | . | . | trans | -85.7 | 129.6 | 166.9 | -78.8 | -81.3 | 0 | 0 | 0 | 108.5 | F80 H83 C87 | F80-Y85 AromaticContact CD1-CE2 3.94Å; F80-Y85 HydrophobicContact CD1-CE2 3.94Å; F80-Y85 HydrophobicContact CE1-CE2 4.45Å; H83-Y85 VanDerWaalsContact C-N 3.3Å; H83-Y85 HydrophobicContact CB-CD2 4.18Å; H83-Y85 HydrophobicContact CB-CE2 3.84Å; H83-Y85 WeakPolarHBondContact O-CD2 3.16Å; H83-Y85 PolarHBondContact O-N 3.21Å; Y85-C87 PolarHBondContact O-N 2.72Å | ||
| 86 | P | 41.8 | Very low | 49.3 | Very low | 105 Ų | 105 | 87.2 Ų | 87.2 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -69.7 | 16.9 | -174.9 | 26.8 | -34.1 | 0 | 0 | 0 | 114.9 | W122 | P86-W122 HydrophobicContact CG-CZ2 4.19Š|
| 87 | C | 42.5 | Very low | 49.5 | Very low | 35 Ų | 35 | 86.8 Ų | 86.8 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | trans | -149.8 | 92.4 | -179.2 | -94.2 | 0 | 0 | 0 | 0 | 112.4 | Y85 H89 I90 T91 | Y85-C87 PolarHBondContact O-N 2.72Å; C87-H89 PolarHBondContact O-N 3.39Å; C87-H89 VanDerWaalsContact O-N 3.13Å; C87-I90 HydrophobicContact CB-CB 3.86Å; C87-I90 HydrophobicContact CB-CD1 3.53Å; C87-I90 HydrophobicContact CB-CG1 3.72Å; C87-I90 PolarHBondContact O-N 3.47Å; C87-I90 VanDerWaalsContact O-N 3.12Å; C87-T91 PolarHBondContact O-N 2.04Å; C87-T91 PolarHBondContact O-OG1 2.9Å | ||
| 88 | H | 46.1 | Very low | 49.8 | Very low | 152 Ų | 152 | 83 Ų | 83 | 70% | 0.704 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -50.5 | -35.7 | 171 | -73.1 | -76.4 | 0 | 0 | 0 | 113.2 | S92 | H88-S92 WeakPolarHBondContact O-CB 3.43Å; H88-S92 PolarHBondContact O-N 2.87Å; H88-S92 VanDerWaalsContact O-N 3.08Å |
| 89 | H | 46.1 | Very low | 50.1 | Low | 141 Ų | 141 | 79.6 Ų | 79.6 | 65% | 0.653 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.8 | -35.1 | -179.6 | -77.4 | -70.6 | 0 | 0 | 0 | 114 | C87 S92 H93 | C87-H89 PolarHBondContact O-N 3.39Å; C87-H89 VanDerWaalsContact O-N 3.13Å; H89-S92 WeakPolarHBondContact CA-OG 3.5Å; H89-S92 PolarHBondContact O-N 3.5Å; H89-S92 PolarHBondContact O-OG 2.87Å; H89-H93 WeakPolarHBondContact O-CB 3.21Å; H89-H93 PolarHBondContact O-N 2.68Å |
| 90 | I | 47.7 | Very low | 50.4 | Low | 38 Ų | 38 | 81.1 Ų | 81.1 | 20% | 0.195 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.4 | -45.4 | -179.8 | -68.6 | 174.7 | 0 | 0 | 0 | 109.9 | C87 S92 H93 C94 C117 W121 | C87-I90 HydrophobicContact CB-CB 3.86Å; C87-I90 HydrophobicContact CB-CD1 3.53Å; C87-I90 HydrophobicContact CB-CG1 3.72Å; C87-I90 PolarHBondContact O-N 3.47Å; C87-I90 VanDerWaalsContact O-N 3.12Å; I90-S92 VanDerWaalsContact C-N 3.29Å; I90-S92 PolarHBondContact O-N 3.21Å; I90-H93 PolarHBondContact O-N 3.03Å; I90-C94 PolarHBondContact O-N 3.36Å; I90-C94 PolarHBondContact O-SG 3.47Å; I90-C117 HydrophobicContact CD1-CB 4.46Å; I90-C117 HydrophobicContact CG2-CB 3.66Å; I90-C117 WeakPolarHBondContact CG2-SG 3.44Å; I90-W121 VanDerWaalsContact CD1-CD1 3.45Å; I90-W121 HydrophobicContact CD1-CD2 4.08Å; I90-W121 HydrophobicContact CD1-CG 3.91Å; I90-W121 HydrophobicContact CD1-CZ2 4.47Å |
| 91 | T | 51.8 | Low | 50.7 | Low | 18 Ų | 18 | 83.8 Ų | 83.8 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 174.9 | -48.2 | 0 | 0 | 0 | 0 | 110 | F80 M81 C87 H93 C94 T95 | F80-T91 HydrophobicContact CB-CG2 3.95Å; M81-T91 HydrophobicContact CE-CG2 3.67Å; C87-T91 PolarHBondContact O-N 2.04Å; C87-T91 PolarHBondContact O-OG1 2.9Å; T91-H93 PolarHBondContact O-N 2.95Å; T91-C94 PolarHBondContact O-N 3.35Å; T91-T95 VanDerWaalsContact O-CB 3.25Å; T91-T95 WeakPolarHBondContact O-CB 3.11Å; T91-T95 PolarHBondContact O-N 3.38Å; T91-T95 PolarHBondContact O-OG1 3.44Å |
| 92 | S | 54.6 | Low | 51 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 176.8 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | H88 H89 I90 W96 | H88-S92 WeakPolarHBondContact O-CB 3.43Å; H88-S92 PolarHBondContact O-N 2.87Å; H88-S92 VanDerWaalsContact O-N 3.08Å; H89-S92 WeakPolarHBondContact CA-OG 3.5Å; H89-S92 PolarHBondContact O-N 3.5Å; H89-S92 PolarHBondContact O-OG 2.87Å; I90-S92 VanDerWaalsContact C-N 3.29Å; I90-S92 PolarHBondContact O-N 3.21Å; S92-W96 VanDerWaalsContact O-CB 3.25Å; S92-W96 WeakPolarHBondContact O-CB 3.39Å; S92-W96 PolarHBondContact O-N 3.47Å |
| 93 | H | 53.1 | Low | 51.2 | Low | 104 Ų | 104 | 78.9 Ų | 78.9 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.5 | -46.1 | 179.9 | 178.3 | -91.2 | 0 | 0 | 0 | 111.5 | H89 I90 T91 T95 W96 V97 | H89-H93 WeakPolarHBondContact O-CB 3.21Å; H89-H93 PolarHBondContact O-N 2.68Å; I90-H93 PolarHBondContact O-N 3.03Å; T91-H93 PolarHBondContact O-N 2.95Å; H93-T95 VanDerWaalsContact C-N 3.33Å; H93-T95 PolarHBondContact O-N 3.38Å; H93-W96 PolarHBondContact O-N 3.33Å; H93-V97 WeakPolarHBondContact O-CB 3.05Å; H93-V97 VanDerWaalsContact O-CG2 3.27Å; H93-V97 WeakPolarHBondContact O-CG2 3.11Å; H93-V97 PolarHBondContact O-N 2.9Å |
| 94 | C | 56 | Low | 51.2 | Low | 7 Ų | 7 | 79 Ų | 79 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.2 | -35 | 178.3 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | I90 T91 A98 C113 | I90-C94 PolarHBondContact O-N 3.36Å; I90-C94 PolarHBondContact O-SG 3.47Å; T91-C94 PolarHBondContact O-N 3.35Å; C94-A98 WeakPolarHBondContact O-CB 3.23Å; C94-A98 PolarHBondContact O-N 2.82Å; C94-C113 WeakPolarHBondContact CA-SG 3.33Å; C94-C113 HydrophobicContact CB-CB 3.76Å; C94-C113 WeakPolarHBondContact CB-SG 3.25Å; C94-C113 WeakPolarHBondContact SG-CB 3.37Å; C94-C113 CovalentContact SG-SG 2.04Å; C94-C113 PolarHBondContact SG-SG 3.44Å |
| 95 | T | 57.8 | Low | 51.5 | Low | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.098 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | T91 H93 V97 A98 A99 | T91-T95 VanDerWaalsContact O-CB 3.25Å; T91-T95 WeakPolarHBondContact O-CB 3.11Å; T91-T95 PolarHBondContact O-N 3.38Å; T91-T95 PolarHBondContact O-OG1 3.44Å; H93-T95 VanDerWaalsContact C-N 3.33Å; H93-T95 PolarHBondContact O-N 3.38Å; T95-V97 PolarHBondContact O-N 2.85Å; T95-A98 PolarHBondContact O-N 3.29Å; T95-A99 WeakPolarHBondContact O-CB 3.36Å; T95-A99 PolarHBondContact O-N 2.82Å |
| 96 | W | 55.2 | Low | 51.7 | Low | 171 Ų | 171 | 70.5 Ų | 70.5 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 174.6 | -178.4 | 82.9 | 0 | 0 | 0 | 111.7 | S92 H93 A98 A99 H100 | S92-W96 VanDerWaalsContact O-CB 3.25Å; S92-W96 WeakPolarHBondContact O-CB 3.39Å; S92-W96 PolarHBondContact O-N 3.47Å; H93-W96 PolarHBondContact O-N 3.33Å; W96-A98 VanDerWaalsContact C-N 3.35Å; W96-A98 PolarHBondContact O-N 2.87Å; W96-A99 PolarHBondContact O-N 3.27Å; W96-H100 PolarHBondContact O-N 3.48Å |
| 97 | V | 56.1 | Low | 52.3 | Low | 29 Ų | 29 | 66.3 Ų | 66.3 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | H93 T95 A109 | H93-V97 WeakPolarHBondContact O-CB 3.05Å; H93-V97 VanDerWaalsContact O-CG2 3.27Å; H93-V97 WeakPolarHBondContact O-CG2 3.11Å; H93-V97 PolarHBondContact O-N 2.9Å; T95-V97 PolarHBondContact O-N 2.85Å; V97-A109 HydrophobicContact CG1-CB 3.93Å |
| 98 | A | 58.8 | Low | 52.9 | Low | 9 Ų | 9 | 67.6 Ų | 67.6 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C94 T95 W96 H100 W101 S106 W110 | C94-A98 WeakPolarHBondContact O-CB 3.23Å; C94-A98 PolarHBondContact O-N 2.82Å; T95-A98 PolarHBondContact O-N 3.29Å; W96-A98 VanDerWaalsContact C-N 3.35Å; W96-A98 PolarHBondContact O-N 2.87Å; A98-H100 PolarHBondContact O-N 3.37Å; A98-W101 PolarHBondContact O-N 3.49Å; A98-S106 VanDerWaalsContact O-CB 3.23Å; A98-S106 WeakPolarHBondContact O-CB 3.34Å; A98-W110 HydrophobicContact CB-CB 4.41Å |
| 99 | A | 56.1 | Low | 53.3 | Low | 53 Ų | 53 | 61.6 Ų | 61.6 | 44% | 0.438 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.4 | -24.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V73 T95 W96 W101 | V73-A99 HydrophobicContact CG1-CB 4.1Å; T95-A99 WeakPolarHBondContact O-CB 3.36Å; T95-A99 PolarHBondContact O-N 2.82Å; W96-A99 PolarHBondContact O-N 3.27Å; A99-W101 VanDerWaalsContact C-N 3.28Å; A99-W101 PolarHBondContact O-N 3.27Å |
| 100 | H | 57.1 | Low | 54 | Low | 140 Ų | 140 | 57 Ų | 57 | 65% | 0.648 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.9 | 179.2 | -159.9 | -74.9 | 0 | 0 | 0 | 113.3 | W96 A98 | W96-H100 PolarHBondContact O-N 3.48Å; A98-H100 PolarHBondContact O-N 3.37Å |
| 101 | W | 52.4 | Low | 54.6 | Low | 90 Ų | 90 | 57.8 Ų | 57.8 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -123.6 | 150.6 | -174.3 | -63.7 | 67.4 | 0 | 0 | 0 | 111.3 | P34 A98 A99 Q105 | P34-W101 HydrophobicContact CG-CH2 3.72Å; P34-W101 HydrophobicContact CG-CZ2 4.48Å; P34-W101 HydrophobicContact CG-CZ3 4.19Å; A98-W101 PolarHBondContact O-N 3.49Å; A99-W101 VanDerWaalsContact C-N 3.28Å; A99-W101 PolarHBondContact O-N 3.27Å; W101-Q105 HydrophobicContact CB-CB 3.74Å; W101-Q105 HydrophobicContact CD2-CB 4.32Å; W101-Q105 HydrophobicContact CE3-CB 3.78Å; W101-Q105 HydrophobicContact CE3-CG 4.17Å; W101-Q105 HydrophobicContact CG-CB 4.36Å |
| 102 | T | 51.4 | Low | 55.1 | Low | 87 Ų | 87 | 58.7 Ų | 58.7 | 53% | 0.534 | 33% | 0.328 | S | S | . | . | trans | -59.7 | 152.1 | 173.3 | 58.7 | 0 | 0 | 0 | 0 | 110.5 | S104 Q105 S106 | T102-S104 VanDerWaalsContact C-N 3.28Å; T102-S104 PolarHBondContact O-N 2.9Å; T102-Q105 CarbonylContact O-C 3.55Å; T102-Q105 WeakPolarHBondContact O-CA 3.19Å; T102-Q105 WeakPolarHBondContact O-CB 3.41Å; T102-Q105 PolarHBondContact O-N 3.19Å; T102-Q105 VanDerWaalsContact OG1-CD 3.26Å; T102-Q105 PolarHBondContact OG1-OE1 2.85Å; T102-S106 PolarHBondContact O-N 3.48Å | ||
| 103 | T | 52.6 | Low | 55.5 | Low | 32 Ų | 32 | 56.2 Ų | 56.2 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -51.1 | -38 | -165.1 | 45.5 | 0 | 0 | 0 | 0 | 114.9 | P69 M72 S106 C107 | P69-T103 HydrophobicContact CB-CG2 4.39Å; M72-T103 HydrophobicContact CE-CG2 3.72Å; M72-T103 HydrophobicContact SD-CG2 3.21Å; M72-T103 WeakPolarHBondContact SD-CG2 3.13Å; T103-S106 PolarHBondContact O-OG 3.39Å; T103-C107 PolarHBondContact O-N 2.79Å |
| 104 | S | 48.7 | Very low | 55.9 | Low | 87 Ų | 87 | 53.5 Ų | 53.5 | 61% | 0.608 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.1 | -40 | 174.6 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | T102 | T102-S104 VanDerWaalsContact C-N 3.28Å; T102-S104 PolarHBondContact O-N 2.9Å |
| 105 | Q | 49.4 | Very low | 56.1 | Low | 91 Ų | 91 | 59.9 Ų | 59.9 | 43% | 0.425 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.3 | -32 | 177.4 | -68.1 | 169.2 | -13.3 | 0 | 0 | 111.7 | W101 T102 C107 A108 A109 | W101-Q105 HydrophobicContact CB-CB 3.74Å; W101-Q105 HydrophobicContact CD2-CB 4.32Å; W101-Q105 HydrophobicContact CE3-CB 3.78Å; W101-Q105 HydrophobicContact CE3-CG 4.17Å; W101-Q105 HydrophobicContact CG-CB 4.36Å; T102-Q105 CarbonylContact O-C 3.55Å; T102-Q105 WeakPolarHBondContact O-CA 3.19Å; T102-Q105 WeakPolarHBondContact O-CB 3.41Å; T102-Q105 PolarHBondContact O-N 3.19Å; T102-Q105 VanDerWaalsContact OG1-CD 3.26Å; T102-Q105 PolarHBondContact OG1-OE1 2.85Å; Q105-C107 VanDerWaalsContact C-N 3.34Å; Q105-C107 PolarHBondContact O-N 3.3Å; Q105-A108 PolarHBondContact O-N 3.12Å; Q105-A109 WeakPolarHBondContact O-CB 3.39Å; Q105-A109 PolarHBondContact O-N 2.71Å |
| 106 | S | 51.3 | Low | 56.2 | Low | 10 Ų | 10 | 61.5 Ų | 61.5 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 177.8 | 79 | 0 | 0 | 0 | 0 | 111.6 | A98 T102 T103 A109 W110 | A98-S106 VanDerWaalsContact O-CB 3.23Å; A98-S106 WeakPolarHBondContact O-CB 3.34Å; T102-S106 PolarHBondContact O-N 3.48Å; T103-S106 PolarHBondContact O-OG 3.39Å; S106-A109 PolarHBondContact O-N 3.41Å; S106-W110 WeakPolarHBondContact O-CB 3.48Å; S106-W110 PolarHBondContact O-N 3.42Å |
| 107 | C | 53 | Low | 56.3 | Low | 18 Ų | 18 | 54.5 Ų | 54.5 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -46 | 179 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | F52 T103 Q105 W110 Q111 | F52-C107 PolarHBondContact O-SG 3.49Å; F52-C107 VanDerWaalsContact O-SG 3.41Å; T103-C107 PolarHBondContact O-N 2.79Å; Q105-C107 VanDerWaalsContact C-N 3.34Å; Q105-C107 PolarHBondContact O-N 3.3Å; C107-W110 PolarHBondContact O-N 2.97Å; C107-Q111 WeakPolarHBondContact O-CG 3.28Å; C107-Q111 PolarHBondContact O-N 2.76Å |
| 108 | A | 55.2 | Low | 56.4 | Low | 62 Ų | 62 | 54 Ų | 54 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q105 W110 Q111 G112 | Q105-A108 PolarHBondContact O-N 3.12Å; A108-W110 VanDerWaalsContact C-N 3.31Å; A108-W110 PolarHBondContact O-N 3.23Å; A108-Q111 PolarHBondContact O-N 3.22Å; A108-G112 PolarHBondContact O-N 3.13Å |
| 109 | A | 55.3 | Low | 56.3 | Low | 25 Ų | 25 | 57.6 Ų | 57.6 | 21% | 0.207 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V97 Q105 S106 G112 C113 | V97-A109 HydrophobicContact CG1-CB 3.93Å; Q105-A109 WeakPolarHBondContact O-CB 3.39Å; Q105-A109 PolarHBondContact O-N 2.71Å; S106-A109 PolarHBondContact O-N 3.41Å; A109-G112 PolarHBondContact O-N 3.08Å; A109-C113 WeakPolarHBondContact O-CB 3.32Å; A109-C113 PolarHBondContact O-N 3.43Å |
| 110 | W | 61.2 | Low | 56.1 | Low | 44 Ų | 44 | 60 Ų | 60 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 176.4 | -167.8 | 88.8 | 0 | 0 | 0 | 112.1 | F80 A98 S106 C107 A108 G112 C113 R114 | F80-W110 HydrophobicContact CD1-CH2 4.46Å; F80-W110 AromaticContact CD1-CZ2 3.85Å; F80-W110 HydrophobicContact CD1-CZ2 3.85Å; F80-W110 HydrophobicContact CD2-CZ2 4.29Å; F80-W110 AromaticContact CE1-CH2 3.33Å; F80-W110 HydrophobicContact CE1-CH2 3.33Å; F80-W110 AromaticContact CE1-CZ2 3.06Å; F80-W110 HydrophobicContact CE1-CZ2 3.06Å; F80-W110 AromaticContact CE2-CE2 3.8Å; F80-W110 HydrophobicContact CE2-CH2 4.18Å; F80-W110 AromaticContact CE2-CZ2 3.61Å; F80-W110 HydrophobicContact CE2-CZ2 3.61Å; F80-W110 AromaticContact CE2-NE1 3.98Å; F80-W110 HydrophobicContact CG-CZ2 4.45Å; F80-W110 HydrophobicContact CZ-CD2 4.44Å; F80-W110 AromaticContact CZ-CE2 3.6Å; F80-W110 AromaticContact CZ-CH2 3.18Å; F80-W110 HydrophobicContact CZ-CH2 3.18Å; F80-W110 AromaticContact CZ-CZ2 2.95Å; F80-W110 HydrophobicContact CZ-CZ2 2.95Å; F80-W110 HydrophobicContact CZ-CZ3 4.04Å; A98-W110 HydrophobicContact CB-CB 4.41Å; S106-W110 WeakPolarHBondContact O-CB 3.48Å; S106-W110 PolarHBondContact O-N 3.42Å; C107-W110 PolarHBondContact O-N 2.97Å; A108-W110 VanDerWaalsContact C-N 3.31Å; A108-W110 PolarHBondContact O-N 3.23Å; W110-G112 VanDerWaalsContact C-N 3.32Å; W110-G112 PolarHBondContact O-N 3.06Å; W110-C113 PolarHBondContact O-N 3.12Å; W110-R114 HydrophobicContact CH2-CG 4.49Å; W110-R114 HydrophobicContact CZ3-CB 4.45Å; W110-R114 WeakPolarHBondContact O-CB 3.48Å; W110-R114 PolarHBondContact O-N 3.44Å |
| 111 | Q | 60.5 | Low | 55.7 | Low | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 172.1 | -74 | -173.8 | 7.2 | 0 | 0 | 111.7 | C107 A108 R114 R115 | C107-Q111 WeakPolarHBondContact O-CG 3.28Å; C107-Q111 PolarHBondContact O-N 2.76Å; A108-Q111 PolarHBondContact O-N 3.22Å; Q111-R114 PolarHBondContact O-N 2.04Å; Q111-R115 WeakPolarHBondContact O-CB 3.07Å; Q111-R115 VanDerWaalsContact O-CG 3.28Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 2.92Å |
| 112 | G | 62.2 | Low | 55.2 | Low | 36 Ų | 36 | 61.7 Ų | 61.7 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A108 A109 W110 R115 A116 | A108-G112 PolarHBondContact O-N 3.13Å; A109-G112 PolarHBondContact O-N 3.08Å; W110-G112 VanDerWaalsContact C-N 3.32Å; W110-G112 PolarHBondContact O-N 3.06Å; G112-R115 PolarHBondContact O-N 3.22Å; G112-A116 WeakPolarHBondContact O-CB 3.19Å; G112-A116 PolarHBondContact O-N 2.89Å |
| 113 | C | 61.6 | Low | 54.8 | Low | 14 Ų | 14 | 67.7 Ų | 67.7 | 10% | 0.095 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.9 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | C94 A109 W110 R115 A116 C117 | C94-C113 WeakPolarHBondContact CA-SG 3.33Å; C94-C113 HydrophobicContact CB-CB 3.76Å; C94-C113 WeakPolarHBondContact CB-SG 3.25Å; C94-C113 WeakPolarHBondContact SG-CB 3.37Å; C94-C113 CovalentContact SG-SG 2.04Å; C94-C113 PolarHBondContact SG-SG 3.44Å; A109-C113 WeakPolarHBondContact O-CB 3.32Å; A109-C113 PolarHBondContact O-N 3.43Å; W110-C113 PolarHBondContact O-N 3.12Å; C113-R115 PolarHBondContact O-N 2.88Å; C113-A116 PolarHBondContact O-N 2.89Å; C113-C117 VanDerWaalsContact O-CB 3.32Å; C113-C117 WeakPolarHBondContact O-CB 3.27Å; C113-C117 PolarHBondContact O-N 3.45Å; C113-C117 PolarHBondContact O-SG 2.9Å |
| 114 | R | 61.8 | Low | 54.1 | Low | 47 Ų | 47 | 68.4 Ų | 68.4 | 18% | 0.177 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 175.3 | -174.3 | 176.3 | 179.4 | -137.3 | -2.3 | 112.1 | W110 Q111 C117 C118 C128 | W110-R114 HydrophobicContact CH2-CG 4.49Å; W110-R114 HydrophobicContact CZ3-CB 4.45Å; W110-R114 WeakPolarHBondContact O-CB 3.48Å; W110-R114 PolarHBondContact O-N 3.44Å; Q111-R114 PolarHBondContact O-N 2.04Å; R114-C117 PolarHBondContact O-N 3.3Å; R114-C118 WeakPolarHBondContact O-CB 3.25Å; R114-C118 PolarHBondContact O-N 3.47Å; R114-C118 PolarHBondContact O-SG 2.84Å; R114-C128 PolarHBondContact NH2-O 2.94Å |
| 115 | R | 60.7 | Low | 53.8 | Low | 141 Ų | 141 | 69.9 Ų | 69.9 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.3 | -73.1 | -180 | -135.8 | -102.6 | 2.6 | 111.7 | Q111 G112 C113 S119 | Q111-R115 WeakPolarHBondContact O-CB 3.07Å; Q111-R115 VanDerWaalsContact O-CG 3.28Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 2.92Å; G112-R115 PolarHBondContact O-N 3.22Å; C113-R115 PolarHBondContact O-N 2.88Å; R115-S119 WeakPolarHBondContact O-CB 3.07Å; R115-S119 PolarHBondContact O-N 3.38Å; R115-S119 PolarHBondContact O-OG 3.27Å |
| 116 | A | 58.8 | Low | 53.5 | Low | 50 Ų | 50 | 68.8 Ų | 68.8 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G112 C113 S119 T120 | G112-A116 WeakPolarHBondContact O-CB 3.19Å; G112-A116 PolarHBondContact O-N 2.89Å; C113-A116 PolarHBondContact O-N 2.89Å; A116-S119 PolarHBondContact O-OG 2.89Å; A116-T120 PolarHBondContact O-N 3.01Å; A116-T120 VanDerWaalsContact O-N 3.17Å; A116-T120 PolarHBondContact O-OG1 2.96Å |
| 117 | C | 59.2 | Low | 53 | Low | 23 Ų | 23 | 73.9 Ų | 73.9 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.4 | -39.9 | 178 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | I90 C113 R114 S119 T120 W121 | I90-C117 HydrophobicContact CD1-CB 4.46Å; I90-C117 HydrophobicContact CG2-CB 3.66Å; I90-C117 WeakPolarHBondContact CG2-SG 3.44Å; C113-C117 VanDerWaalsContact O-CB 3.32Å; C113-C117 WeakPolarHBondContact O-CB 3.27Å; C113-C117 PolarHBondContact O-N 3.45Å; C113-C117 PolarHBondContact O-SG 2.9Å; R114-C117 PolarHBondContact O-N 3.3Å; C117-S119 VanDerWaalsContact C-N 3.32Å; C117-S119 PolarHBondContact O-N 2.94Å; C117-T120 WeakPolarHBondContact CA-OG1 3.28Å; C117-T120 PolarHBondContact O-N 3.48Å; C117-T120 PolarHBondContact O-OG1 3.16Å; C117-T120 VanDerWaalsContact O-OG1 3.13Å; C117-W121 WeakPolarHBondContact O-CB 3.34Å; C117-W121 VanDerWaalsContact O-CD1 3.27Å; C117-W121 PolarHBondContact O-N 2.96Å |
| 118 | C | 57.7 | Low | 52.4 | Low | 20 Ų | 20 | 74.3 Ų | 74.3 | 14% | 0.135 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 174.2 | -79.3 | 0 | 0 | 0 | 0 | 111.9 | R114 W122 C128 | R114-C118 WeakPolarHBondContact O-CB 3.25Å; R114-C118 PolarHBondContact O-N 3.47Å; R114-C118 PolarHBondContact O-SG 2.84Å; C118-W122 WeakPolarHBondContact O-CA 3.44Å; C118-W122 VanDerWaalsContact O-CB 3.28Å; C118-W122 WeakPolarHBondContact O-CB 3.38Å; C118-W122 PolarHBondContact O-N 3.17Å; C118-C128 HydrophobicContact CB-CB 3.69Å; C118-C128 WeakPolarHBondContact CB-SG 3.15Å; C118-C128 WeakPolarHBondContact SG-CB 3.32Å; C118-C128 CovalentContact SG-SG 2.04Å; C118-C128 PolarHBondContact SG-SG 3.38Å |
| 119 | S | 55.3 | Low | 51.6 | Low | 83 Ų | 83 | 76.7 Ų | 76.7 | 58% | 0.58 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.7 | -25.4 | 176.8 | 59 | 0 | 0 | 0 | 0 | 114.1 | R115 A116 C117 | R115-S119 WeakPolarHBondContact O-CB 3.07Å; R115-S119 PolarHBondContact O-N 3.38Å; R115-S119 PolarHBondContact O-OG 3.27Å; A116-S119 PolarHBondContact O-OG 2.89Å; C117-S119 VanDerWaalsContact C-N 3.32Å; C117-S119 PolarHBondContact O-N 2.94Å |
| 120 | T | 53.2 | Low | 50.9 | Low | 103 Ų | 103 | 80.5 Ų | 80.5 | 63% | 0.632 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -86 | -33.6 | 177.5 | 35.7 | 0 | 0 | 0 | 0 | 113.5 | A116 C117 | A116-T120 PolarHBondContact O-N 3.01Å; A116-T120 VanDerWaalsContact O-N 3.17Å; A116-T120 PolarHBondContact O-OG1 2.96Å; C117-T120 WeakPolarHBondContact CA-OG1 3.28Å; C117-T120 PolarHBondContact O-N 3.48Å; C117-T120 PolarHBondContact O-OG1 3.16Å; C117-T120 VanDerWaalsContact O-OG1 3.13Å |
| 121 | W | 47.7 | Very low | 49.6 | Very low | 172 Ų | 172 | 80.8 Ų | 80.8 | 65% | 0.652 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -107.8 | -22.6 | -172.2 | -65.9 | 88 | 0 | 0 | 0 | 114.2 | I90 C117 | I90-W121 VanDerWaalsContact CD1-CD1 3.45Å; I90-W121 HydrophobicContact CD1-CD2 4.08Å; I90-W121 HydrophobicContact CD1-CG 3.91Å; I90-W121 HydrophobicContact CD1-CZ2 4.47Å; C117-W121 WeakPolarHBondContact O-CB 3.34Å; C117-W121 VanDerWaalsContact O-CD1 3.27Å; C117-W121 PolarHBondContact O-N 2.96Å |
| 122 | W | 43.3 | Very low | 48.3 | Very low | 95 Ų | 95 | 84 Ų | 84 | 36% | 0.36 | 46% | 0.456 | S | S | . | . | trans | -111.2 | 130.6 | -177.7 | -60.8 | 77.9 | 0 | 0 | 0 | 111.2 | P86 C118 S124 Q127 | P86-W122 HydrophobicContact CG-CZ2 4.19Å; C118-W122 WeakPolarHBondContact O-CA 3.44Å; C118-W122 VanDerWaalsContact O-CB 3.28Å; C118-W122 WeakPolarHBondContact O-CB 3.38Å; C118-W122 PolarHBondContact O-N 3.17Å; W122-S124 PolarHBondContact O-N 3.29Å; W122-S124 VanDerWaalsContact O-N 3.16Å; W122-Q127 HydrophobicContact CD2-CB 4.19Å; W122-Q127 HydrophobicContact CE3-CB 3.36Å; W122-Q127 HydrophobicContact CE3-CG 4.24Å; W122-Q127 VanDerWaalsContact CE3-OE1 3.31Å; W122-Q127 HydrophobicContact CZ3-CB 3.82Å; W122-Q127 VanDerWaalsContact CZ3-OE1 3.23Å | ||
| 123 | K | 42.4 | Very low | 47 | Very low | 213 Ų | 213 | 88.4 Ų | 88.4 | 93% | 0.926 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -66.8 | -11.2 | 179 | -70.1 | -178.8 | 178.2 | 178.5 | 0 | 113.7 | ||
| 124 | S | 38.8 | Very low | 45.4 | Very low | 46 Ų | 46 | 95.6 Ų | 95.6 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | trans | -152.1 | 134.6 | -178 | 177 | 0 | 0 | 0 | 0 | 111.8 | W122 A126 Q127 | W122-S124 PolarHBondContact O-N 3.29Å; W122-S124 VanDerWaalsContact O-N 3.16Å; S124-A126 PolarHBondContact O-N 3.13Å; S124-A126 VanDerWaalsContact O-N 3.12Å; S124-A126 WeakPolarHBondContact OG-CB 3.45Å; S124-A126 PolarHBondContact OG-N 2.95Å; S124-Q127 PolarHBondContact O-N 2.69Å | ||
| 125 | P | 41.8 | Very low | 43.9 | Very low | 119 Ų | 119 | 98.7 Ų | 98.7 | 77% | 0.773 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -54.5 | -26.2 | 170.6 | -23.5 | 32.7 | 0 | 0 | 0 | 113.5 | Q127 C128 | P125-Q127 VanDerWaalsContact C-N 3.26Å; P125-Q127 PolarHBondContact O-N 3.44Å; P125-C128 WeakPolarHBondContact O-CA 3.35Å; P125-C128 WeakPolarHBondContact O-CB 3.44Å; P125-C128 PolarHBondContact O-N 3.44Å |
| 126 | A | 42.5 | Very low | 42.7 | Very low | 67 Ų | 67 | 96.1 Ų | 96.1 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -65.6 | -27.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S124 C128 T129 | S124-A126 PolarHBondContact O-N 3.13Å; S124-A126 VanDerWaalsContact O-N 3.12Å; S124-A126 WeakPolarHBondContact OG-CB 3.45Å; S124-A126 PolarHBondContact OG-N 2.95Å; A126-C128 PolarHBondContact O-N 2.83Å; A126-T129 PolarHBondContact O-OG1 2.83Å |
| 127 | Q | 41.2 | Very low | 41.4 | Very low | 117 Ų | 117 | 99.8 Ų | 99.8 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -80.6 | -7 | 174.8 | -59.6 | -162 | 40.4 | 0 | 0 | 112.8 | W122 S124 P125 T129 | W122-Q127 HydrophobicContact CD2-CB 4.19Å; W122-Q127 HydrophobicContact CE3-CB 3.36Å; W122-Q127 HydrophobicContact CE3-CG 4.24Å; W122-Q127 VanDerWaalsContact CE3-OE1 3.31Å; W122-Q127 HydrophobicContact CZ3-CB 3.82Å; W122-Q127 VanDerWaalsContact CZ3-OE1 3.23Å; S124-Q127 PolarHBondContact O-N 2.69Å; P125-Q127 VanDerWaalsContact C-N 3.26Å; P125-Q127 PolarHBondContact O-N 3.44Å; Q127-T129 VanDerWaalsContact C-N 3.29Å |
| 128 | C | 39.7 | Very low | 40.5 | Very low | 28 Ų | 28 | 107.9 Ų | 107.9 | 19% | 0.189 | 60% | 0.598 | C | S | . | * | G | 310 helix | trans | -97.4 | 29.8 | 172.5 | -165 | 0 | 0 | 0 | 0 | 110.6 | R114 C118 P125 A126 | R114-C128 PolarHBondContact NH2-O 2.94Å; C118-C128 HydrophobicContact CB-CB 3.69Å; C118-C128 WeakPolarHBondContact CB-SG 3.15Å; C118-C128 WeakPolarHBondContact SG-CB 3.32Å; C118-C128 CovalentContact SG-SG 2.04Å; C118-C128 PolarHBondContact SG-SG 3.38Å; P125-C128 WeakPolarHBondContact O-CA 3.35Å; P125-C128 WeakPolarHBondContact O-CB 3.44Å; P125-C128 PolarHBondContact O-N 3.44Å; A126-C128 PolarHBondContact O-N 2.83Å |
| 129 | T | 39.2 | Very low | 39.4 | Very low | 111 Ų | 111 | 115.6 Ų | 115.6 | 68% | 0.681 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143 | 172.7 | 13.4 | 0 | 0 | 0 | 0 | 110 | A126 Q127 | A126-T129 PolarHBondContact O-OG1 2.83Å; Q127-T129 VanDerWaalsContact C-N 3.29Å |
| 130 | R | 39.5 | Very low | 38.5 | Very low | 105 Ų | 105 | 118 Ų | 118 | 40% | 0.396 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 147.1 | -179.3 | -95.6 | 172.8 | 168 | -162.9 | -17.9 | 111.8 | C53 G54 T132 | C53-R130 PolarHBondContact O-NH2 2.84Å; G54-R130 VanDerWaalsContact N-NH2 3.13Å; R130-T132 PolarHBondContact O-N 2.72Å |
| 131 | P | 35.7 | Very low | 38 | Very low | 50 Ų | 50 | 117.8 Ų | 117.8 | 33% | 0.325 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -60 | 123 | 154.7 | 25.6 | -27.6 | 0 | 0 | 0 | 107.7 | V133 | P131-V133 PolarHBondContact O-N 2.91Å; P131-V133 VanDerWaalsContact O-N 3.09Å |
| 132 | T | 32.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 77% | 0.767 | 66% | 0.661 | S | S | * | * | trans | -56.8 | 113 | 164.9 | -58 | 0 | 0 | 0 | 0 | 106.6 | R130 M134 | R130-T132 PolarHBondContact O-N 2.72Å; T132-M134 VanDerWaalsContact C-N 3.31Å; T132-M134 PolarHBondContact O-N 2.65Å | ||
| 133 | V | 33.9 | Very low | 37.8 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | -64.3 | 98.6 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | P131 S135 | P131-V133 PolarHBondContact O-N 2.91Å; P131-V133 VanDerWaalsContact O-N 3.09Å; V133-S135 PolarHBondContact O-N 3.36Å | ||
| 134 | M | 29 | Very low | 38.1 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -65.5 | 118.8 | 162.7 | -73.3 | -178.6 | 67.1 | 0 | 0 | 105.8 | T132 A136 | T132-M134 VanDerWaalsContact C-N 3.31Å; T132-M134 PolarHBondContact O-N 2.65Å; M134-A136 PolarHBondContact O-N 3.47Å | ||
| 135 | S | 30.8 | Very low | 38.8 | Very low | 111 Ų | 111 | 118.1 Ų | 118.1 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -50.9 | 104.8 | 177.3 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | V133 T137 | V133-S135 PolarHBondContact O-N 3.36Å; S135-T137 PolarHBondContact O-N 2.82Å | ||
| 136 | A | 33.6 | Very low | 39.5 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 70% | 0.695 | S | S | * | * | trans | -73 | 104.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | M134 F138 | M134-A136 PolarHBondContact O-N 3.47Å; A136-F138 PolarHBondContact O-N 3.24Å; A136-F138 VanDerWaalsContact O-N 3.09Å | ||
| 137 | T | 31.6 | Very low | 40.2 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | -56.7 | 110.9 | 169.5 | -42.9 | 0 | 0 | 0 | 0 | 107.9 | S135 E139 | S135-T137 PolarHBondContact O-N 2.82Å; T137-E139 VanDerWaalsContact C-N 3.34Å; T137-E139 PolarHBondContact O-N 2.77Å | ||
| 138 | F | 40.7 | Very low | 40.1 | Very low | 194 Ų | 194 | 125.3 Ų | 125.3 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | -69.6 | 93.9 | 168.5 | -108.2 | -97 | 0 | 0 | 0 | 107.7 | A136 T140 | A136-F138 PolarHBondContact O-N 3.24Å; A136-F138 VanDerWaalsContact O-N 3.09Å; F138-T140 PolarHBondContact O-N 3.07Å | ||
| 139 | E | 34.4 | Very low | 40.1 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -65.9 | 111.8 | 159.7 | -89.3 | -175.7 | 93.8 | 0 | 0 | 107.8 | T137 A141 | T137-E139 VanDerWaalsContact C-N 3.34Å; T137-E139 PolarHBondContact O-N 2.77Å; E139-A141 PolarHBondContact O-N 3.38Å | ||
| 140 | T | 37.5 | Very low | 40.2 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -69.2 | 93.2 | 172.6 | -57.6 | 0 | 0 | 0 | 0 | 108 | F138 Q142 | F138-T140 PolarHBondContact O-N 3.07Å; T140-Q142 PolarHBondContact O-N 3.06Å | ||
| 141 | A | 41.4 | Very low | 40.2 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -76.1 | 106 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | E139 E143 | E139-A141 PolarHBondContact O-N 3.38Å; A141-E143 PolarHBondContact O-N 3.43Å | ||
| 142 | Q | 42.7 | Very low | 40.5 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 116.1 | 178.4 | -163.6 | 174.6 | -31.1 | 0 | 0 | 110.5 | T140 | T140-Q142 PolarHBondContact O-N 3.06Š|
| 143 | E | 44.8 | Very low | 41 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.1 | 171.7 | -96.6 | -85 | 103.9 | 0 | 0 | 110.7 | A141 G145 | A141-E143 PolarHBondContact O-N 3.43Å; E143-G145 PolarHBondContact O-N 3.02Å |
| 144 | P | 49.5 | Very low | 41.6 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117.9 | 172.2 | 30.4 | -28 | 0 | 0 | 0 | 109.6 | ||
| 145 | G | 52.5 | Low | 42.5 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 153.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E143 | E143-G145 PolarHBondContact O-N 3.02Š|
| 146 | P | 56.9 | Low | 43.5 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 90% | 0.896 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 133.7 | -174.9 | 32.5 | -32 | 0 | 0 | 0 | 109.9 | ||
| 147 | S | 56.4 | Low | 44.4 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 100% | 1.336 | 86% | 0.855 | S | S | * | * | trans | -138.9 | 0 | 159.8 | -170.8 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 147 of 147 residues in 406.7 ms
(Link to these results)