| 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 | 31.9 | Very low | 34.6 | Very low | 235 Ų | 235 | 154.9 Ų | 154.9 | 100% | 1.158 | 78% | 0.783 | S | S | * | * | 0 | 98.9 | 0 | -75.7 | 168.4 | 175.8 | 0 | 0 | 108.8 | |||||
| 2 | V | 26.3 | Very low | 35.1 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -90.3 | 107.4 | -178 | -173.1 | 0 | 0 | 0 | 0 | 106.5 | R4 | V2-R4 PolarHBondContact O-N 3.16Š| ||
| 3 | F | 29.4 | Very low | 35.7 | Very low | 206 Ų | 206 | 151.8 Ų | 151.8 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -69.6 | 97.2 | 169.1 | -94.8 | -90.6 | 0 | 0 | 0 | 107.7 | ||||
| 4 | R | 30.2 | Very low | 36.2 | Very low | 228 Ų | 228 | 153.6 Ų | 153.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -71.9 | 123.5 | 161.8 | -85.9 | -171.8 | 168.1 | -167.6 | -3.3 | 107.6 | V2 | V2-R4 PolarHBondContact O-N 3.16Š| ||
| 5 | S | 34.5 | Very low | 36.4 | Very low | 84 Ų | 84 | 157.2 Ų | 157.2 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | trans | -69.4 | 131.7 | 176.3 | -159.7 | 0 | 0 | 0 | 0 | 109.5 | L7 | S5-L7 PolarHBondContact O-N 3.22Å; S5-L7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | P | 36.2 | Very low | 36.3 | Very low | 120 Ų | 120 | 157.7 Ų | 157.7 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 4.1 | -178.1 | -19.1 | 32.2 | 0 | 0 | 0 | 116.1 | ||
| 7 | L | 41.9 | Very low | 36.2 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 61% | 0.607 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 14.2 | -167.2 | -60.7 | -175.8 | 0 | 0 | 0 | 115.6 | S5 L9 | S5-L7 PolarHBondContact O-N 3.22Å; S5-L7 VanDerWaalsContact O-N 3.13Å; L7-L9 PolarHBondContact O-N 3.41Å |
| 8 | E | 37.9 | Very low | 36.1 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 28.7 | 177.8 | -76.1 | -96.2 | 148 | 0 | 0 | 114.4 | ||
| 9 | L | 34.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 155.8 Ų | 155.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 26.8 | -175.8 | -74 | 178.3 | 0 | 0 | 0 | 115 | L7 | L7-L9 PolarHBondContact O-N 3.41Š|
| 10 | Y | 44.4 | Very low | 36.7 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 54% | 0.537 | 77% | 0.772 | S | S | . | * | trans | -124.2 | 111.5 | 177.2 | -67 | -74.7 | 0 | 0 | 0 | 112.8 | ||||
| 11 | P | 34.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 153 Ų | 153 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -62.5 | 134.6 | 173.4 | -20 | 31.8 | 0 | 0 | 0 | 111.6 | H13 | P11-H13 PolarHBondContact O-N 3.48Š| ||
| 12 | S | 40.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -99.9 | 64.6 | -172.1 | 32.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 13 | H | 42 | Very low | 37.5 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -150.7 | 103.4 | 167.5 | -70.3 | -68.8 | 0 | 0 | 0 | 111.8 | P11 | P11-H13 PolarHBondContact O-N 3.48Š| ||
| 14 | F | 42.8 | Very low | 38 | Very low | 177 Ų | 177 | 147 Ų | 147 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -141.4 | 123.6 | 158.5 | -81 | -74.6 | 0 | 0 | 0 | 112.1 | ||||
| 15 | F | 39.5 | Very low | 38.4 | Very low | 208 Ų | 208 | 144 Ų | 144 | 91% | 0.912 | 75% | 0.751 | S | S | * | * | trans | -95.6 | 130.6 | 163 | -110.6 | -97.2 | 0 | 0 | 0 | 106.9 | ||||
| 16 | L | 35.5 | Very low | 38.4 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -167 | 163.8 | 157.5 | -98.8 | 173.1 | 0 | 0 | 0 | 108.9 | ||||
| 17 | P | 33.9 | Very low | 38.4 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -93.5 | 161.7 | -133 | 31.7 | -21.5 | 0 | 0 | 0 | 114.5 | F19 | P17-F19 PolarHBondContact O-N 3.27Š| ||
| 18 | N | 34.7 | Very low | 37.9 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | trans | -42.2 | 112.2 | -178.4 | -162.3 | 17.6 | 0 | 0 | 0 | 114.2 | A20 | N18-A20 PolarHBondContact O-N 3.34Š| ||
| 19 | F | 41.6 | Very low | 38.1 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 55.1 | 172.6 | -81.4 | -91.6 | 0 | 0 | 0 | 111.5 | P17 | P17-F19 PolarHBondContact O-N 3.27Š| ||
| 20 | A | 42.3 | Very low | 38.1 | Very low | 63 Ų | 63 | 143.1 Ų | 143.1 | 52% | 0.521 | 78% | 0.777 | S | S | . | * | trans | -107.7 | 124.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | N18 | N18-A20 PolarHBondContact O-N 3.34Š| ||
| 21 | E | 35.4 | Very low | 38 | Very low | 190 Ų | 190 | 142.7 Ų | 142.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | 95 | 99.5 | 166.8 | -48.6 | -139.4 | 151.7 | 0 | 0 | 117.2 | ||||
| 22 | R | 42.3 | Very low | 37.9 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -73.9 | 127.3 | 151.1 | -78.2 | -179.8 | 169.4 | -175.6 | -3.5 | 107.7 | V24 | R22-V24 PolarHBondContact O-N 3.21Š| ||
| 23 | P | 34.6 | Very low | 38.1 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 114 | 170.4 | 27.3 | -28.5 | 0 | 0 | 0 | 109.1 | L25 | P23-L25 PolarHBondContact O-N 3.05Š| ||
| 24 | V | 38.6 | Very low | 37.9 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | trans | -81.3 | 98.3 | 166 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | R22 L26 | R22-V24 PolarHBondContact O-N 3.21Å; V24-L26 PolarHBondContact O-N 2.97Å | ||
| 25 | L | 39.2 | Very low | 37.5 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -80.8 | 103.3 | 172.5 | -68.3 | -177 | 0 | 0 | 0 | 109.6 | P23 A27 | P23-L25 PolarHBondContact O-N 3.05Å; L25-A27 PolarHBondContact O-N 2.92Å | ||
| 26 | L | 33.9 | Very low | 37.5 | Very low | 162 Ų | 162 | 141 Ų | 141 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -71.8 | 116.7 | 167.5 | -164.8 | 77.6 | 0 | 0 | 0 | 108.5 | V24 S28 | V24-L26 PolarHBondContact O-N 2.97Å; L26-S28 PolarHBondContact O-N 3.29Å | ||
| 27 | A | 36.2 | Very low | 37.9 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 118.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L25 | L25-A27 PolarHBondContact O-N 2.92Š| ||
| 28 | S | 32.2 | Very low | 38.2 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -113.6 | 128.9 | 162.8 | 57.9 | 0 | 0 | 0 | 0 | 110 | L26 | L26-S28 PolarHBondContact O-N 3.29Š| ||
| 29 | S | 41.2 | Very low | 38.4 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -66.8 | 137.4 | -175.9 | 47.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 30 | T | 34.4 | Very low | 38.7 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -160.9 | 141.1 | 138.4 | 47.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 31 | P | 43.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -89.7 | 124.4 | 177.2 | 34 | -27.3 | 0 | 0 | 0 | 110.2 | ||||
| 32 | S | 32.8 | Very low | 39.3 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -142.5 | 120.6 | 163.4 | -90.1 | 0 | 0 | 0 | 0 | 110.1 | R34 | S32-R34 PolarHBondContact O-N 3.28Å; S32-R34 VanDerWaalsContact O-N 3.16Å | ||
| 33 | T | 44.8 | Very low | 39.1 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -52.8 | 105.1 | 180 | -43.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 34 | R | 36.4 | Very low | 39.5 | Very low | 240 Ų | 240 | 140.3 Ų | 140.3 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -142.9 | 147.4 | 161.6 | -74 | -168.5 | 179.5 | 169.8 | 0.2 | 110.3 | S32 | S32-R34 PolarHBondContact O-N 3.28Å; S32-R34 VanDerWaalsContact O-N 3.16Å | ||
| 35 | S | 35.3 | Very low | 40.1 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | trans | -47.7 | 158.2 | -169.8 | 44.7 | 0 | 0 | 0 | 0 | 117.1 | E37 | S35-E37 VanDerWaalsContact C-N 3.33Å; S35-E37 PolarHBondContact O-N 3.48Å | ||
| 36 | P | 40 | Very low | 40.7 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -81.2 | 9.4 | -169.6 | -7.1 | 26.1 | 0 | 0 | 0 | 116.7 | ||
| 37 | E | 42.7 | Very low | 41.6 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -107.2 | 14.9 | -156.8 | -70.5 | -91.6 | 132.1 | 0 | 0 | 116.1 | S35 | S35-E37 VanDerWaalsContact C-N 3.33Å; S35-E37 PolarHBondContact O-N 3.48Å | ||
| 38 | D | 40.2 | Very low | 42.9 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -145.8 | 53 | -175.1 | -146.4 | 6.6 | 0 | 0 | 0 | 116.8 | ||||
| 39 | L | 40.4 | Very low | 44.7 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 95% | 0.948 | 75% | 0.752 | S | S | * | * | trans | -125.5 | 37 | 164.9 | -72.6 | 174.9 | 0 | 0 | 0 | 112.1 | ||||
| 40 | S | 47.5 | Very low | 46.6 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -95.2 | 11.2 | -177.2 | 72.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 41 | M | 43.3 | Very low | 48.9 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -95.7 | 115 | 176.5 | -68.4 | -146.8 | -66.2 | 0 | 0 | 111.2 | ||
| 42 | F | 45.2 | Very low | 50.9 | Low | 190 Ų | 190 | 123.9 Ų | 123.9 | 83% | 0.833 | 68% | 0.682 | S | S | * | * | trans | 91.6 | 29.9 | 175.7 | -50.5 | -73.1 | 0 | 0 | 0 | 118.6 | L44 | F42-L44 PolarHBondContact O-N 3.03Š| ||
| 43 | A | 39.8 | Very low | 53.6 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 77% | 0.769 | 67% | 0.667 | S | S | * | * | trans | -71.9 | 86.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 44 | L | 43.2 | Very low | 55.7 | Low | 137 Ų | 137 | 116.4 Ų | 116.4 | 72% | 0.717 | 62% | 0.624 | S | S | * | * | trans | -55.4 | 132.8 | 157.2 | -72.4 | 174.2 | 0 | 0 | 0 | 106.4 | F42 T46 | F42-L44 PolarHBondContact O-N 3.03Å; L44-T46 PolarHBondContact O-N 3.02Å | ||
| 45 | P | 50.8 | Low | 58.2 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 64% | 0.643 | 58% | 0.582 | S | S | * | * | trans | -54.2 | 114.9 | 178.9 | 19.5 | -29.1 | 0 | 0 | 0 | 107.9 | L47 | P45-L47 HydrophobicContact CB-CD2 4.49Å; P45-L47 PolarHBondContact O-N 2.78Å | ||
| 46 | T | 52.1 | Low | 60.8 | Low | 110 Ų | 110 | 103.3 Ų | 103.3 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | trans | -69.4 | 87.3 | 175.7 | -35.4 | 0 | 0 | 0 | 0 | 106.4 | L44 N48 | L44-T46 PolarHBondContact O-N 3.02Å; T46-N48 PolarHBondContact O-N 3.26Å | ||
| 47 | L | 53.1 | Low | 63.3 | Low | 90 Ų | 90 | 99.6 Ų | 99.6 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | trans | -70.6 | 100.6 | 178 | -64.7 | 170.2 | 0 | 0 | 0 | 107.2 | P45 F49 | P45-L47 HydrophobicContact CB-CD2 4.49Å; P45-L47 PolarHBondContact O-N 2.78Å; L47-F49 HydrophobicContact CB-CD2 3.59Å; L47-F49 HydrophobicContact CB-CE2 3.26Å; L47-F49 HydrophobicContact CB-CG 4.45Å; L47-F49 HydrophobicContact CB-CZ 3.86Å; L47-F49 HydrophobicContact CD1-CE2 3.45Å; L47-F49 VanDerWaalsContact CD1-CE2 3.45Å; L47-F49 HydrophobicContact CD1-CZ 3.75Å; L47-F49 HydrophobicContact CD2-CE2 4.46Å; L47-F49 HydrophobicContact CD2-CZ 4.28Å; L47-F49 HydrophobicContact CG-CE2 3.86Å; L47-F49 HydrophobicContact CG-CZ 4.17Å; L47-F49 PolarHBondContact O-N 2.99Å | ||
| 48 | N | 63.2 | Low | 65.6 | Low | 146 Ų | 146 | 91.5 Ų | 91.5 | 78% | 0.781 | 51% | 0.506 | S | S | * | . | trans | -75.7 | 72.1 | 172.7 | -77.3 | 7.5 | 0 | 0 | 0 | 109.3 | T46 | T46-N48 PolarHBondContact O-N 3.26Š| ||
| 49 | F | 68.8 | Low | 68.1 | Low | 83 Ų | 83 | 88.1 Ų | 88.1 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | trans | -76.6 | 143.6 | 168.9 | -65.6 | -64.5 | 0 | 0 | 0 | 110.2 | L47 Q53 V54 F73 | L47-F49 HydrophobicContact CB-CD2 3.59Å; L47-F49 HydrophobicContact CB-CE2 3.26Å; L47-F49 HydrophobicContact CB-CG 4.45Å; L47-F49 HydrophobicContact CB-CZ 3.86Å; L47-F49 HydrophobicContact CD1-CE2 3.45Å; L47-F49 VanDerWaalsContact CD1-CE2 3.45Å; L47-F49 HydrophobicContact CD1-CZ 3.75Å; L47-F49 HydrophobicContact CD2-CE2 4.46Å; L47-F49 HydrophobicContact CD2-CZ 4.28Å; L47-F49 HydrophobicContact CG-CE2 3.86Å; L47-F49 HydrophobicContact CG-CZ 4.17Å; L47-F49 PolarHBondContact O-N 2.99Å; F49-Q53 HydrophobicContact CB-CB 4.37Å; F49-V54 HydrophobicContact CB-CG2 3.54Å; F49-V54 HydrophobicContact CG-CG2 4.38Å; F49-F73 HydrophobicContact CE2-CE2 4.24Å | ||
| 50 | S | 82.4 | Confident | 70.6 | Confident | 42 Ų | 42 | 83.1 Ų | 83.1 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | trans | -68.6 | 151.7 | 166.2 | 105.4 | 0 | 0 | 0 | 0 | 109.9 | E52 Q53 V54 | S50-E52 WeakPolarHBondContact CB-OE2 3.42Å; S50-E52 PolarHBondContact O-N 3.29Å; S50-E52 VanDerWaalsContact O-N 3.16Å; S50-E52 PolarHBondContact OG-N 3.33Å; S50-E52 PolarHBondContact OG-OE2 3.42Å; S50-Q53 WeakPolarHBondContact O-CB 3.45Å; S50-Q53 PolarHBondContact O-N 2.92Å; S50-Q53 PolarHBondContact OG-N 3.11Å; S50-V54 WeakPolarHBondContact O-CG2 3.43Å; S50-V54 PolarHBondContact O-N 2.81Å | ||
| 51 | P | 81.5 | Confident | 72.8 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 14% | 0.143 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -53.2 | -35 | 177.8 | -26.2 | 34.9 | 0 | 0 | 0 | 113.4 | V54 A55 Q86 | P51-V54 PolarHBondContact O-N 2.92Å; P51-A55 WeakPolarHBondContact O-CB 3.41Å; P51-A55 PolarHBondContact O-N 3.41Å; P51-Q86 HydrophobicContact CG-CB 4.1Å |
| 52 | E | 86.6 | Confident | 75.1 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 178 | -59 | 74.1 | -160.5 | 0 | 0 | 111.7 | S50 A55 S56 | S50-E52 WeakPolarHBondContact CB-OE2 3.42Å; S50-E52 PolarHBondContact O-N 3.29Å; S50-E52 VanDerWaalsContact O-N 3.16Å; S50-E52 PolarHBondContact OG-N 3.33Å; S50-E52 PolarHBondContact OG-OE2 3.42Å; E52-A55 PolarHBondContact O-N 3.47Å; E52-S56 PolarHBondContact O-N 3Å |
| 53 | Q | 88 | Confident | 77.2 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 174.8 | -65.5 | 176 | -37.9 | 0 | 0 | 110.8 | F49 S50 A55 S56 V57 | F49-Q53 HydrophobicContact CB-CB 4.37Å; S50-Q53 WeakPolarHBondContact O-CB 3.45Å; S50-Q53 PolarHBondContact O-N 2.92Å; S50-Q53 PolarHBondContact OG-N 3.11Å; Q53-A55 VanDerWaalsContact C-N 3.32Å; Q53-A55 PolarHBondContact O-N 3.39Å; Q53-S56 PolarHBondContact O-N 3.03Å; Q53-V57 WeakPolarHBondContact O-CG2 3.43Å; Q53-V57 PolarHBondContact O-N 3.43Å |
| 54 | V | 88.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | F49 S50 P51 V57 C58 F73 L77 I93 | F49-V54 HydrophobicContact CB-CG2 3.54Å; F49-V54 HydrophobicContact CG-CG2 4.38Å; S50-V54 WeakPolarHBondContact O-CG2 3.43Å; S50-V54 PolarHBondContact O-N 2.81Å; P51-V54 PolarHBondContact O-N 2.92Å; V54-V57 PolarHBondContact O-N 2.97Å; V54-C58 PolarHBondContact O-N 3.39Å; V54-C58 PolarHBondContact O-SG 3.5Å; V54-F73 HydrophobicContact CG1-CE1 3.88Å; V54-F73 HydrophobicContact CG1-CZ 4.06Å; V54-L77 HydrophobicContact CB-CD2 4.43Å; V54-L77 HydrophobicContact CG1-CD1 3.71Å; V54-L77 HydrophobicContact CG1-CD2 3.6Å; V54-L77 HydrophobicContact CG1-CG 4.33Å; V54-L77 HydrophobicContact CG2-CD2 3.86Å; V54-I93 HydrophobicContact CB-CD1 4.03Å; V54-I93 HydrophobicContact CG1-CD1 3.61Å; V54-I93 HydrophobicContact CG1-CG1 4.19Å |
| 55 | A | 89.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.025 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P51 E52 Q53 V57 C58 E59 H90 I93 | P51-A55 WeakPolarHBondContact O-CB 3.41Å; P51-A55 PolarHBondContact O-N 3.41Å; E52-A55 PolarHBondContact O-N 3.47Å; Q53-A55 VanDerWaalsContact C-N 3.32Å; Q53-A55 PolarHBondContact O-N 3.39Å; A55-V57 PolarHBondContact O-N 2.73Å; A55-C58 WeakPolarHBondContact O-CB 3.16Å; A55-C58 PolarHBondContact O-N 2.69Å; A55-E59 PolarHBondContact O-N 2.91Å; A55-H90 VanDerWaalsContact CB-CE1 3.43Å; A55-H90 WeakPolarHBondContact CB-CE1 3.36Å; A55-H90 VanDerWaalsContact CB-ND1 3.29Å; A55-H90 WeakPolarHBondContact CB-ND1 3.5Å; A55-I93 HydrophobicContact CB-CD1 4.43Å; A55-I93 HydrophobicContact CB-CG1 4.26Å |
| 56 | S | 90.8 | Very high | 83.8 | Confident | 63 Ų | 63 | 64 Ų | 64 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 177.9 | -179.5 | 0 | 0 | 0 | 0 | 112.8 | E52 Q53 E59 T60 | E52-S56 PolarHBondContact O-N 3Å; Q53-S56 PolarHBondContact O-N 3.03Å; S56-E59 PolarHBondContact O-N 3.32Å; S56-T60 PolarHBondContact O-N 3.3Å; S56-T60 PolarHBondContact O-OG1 3.35Å |
| 57 | V | 91.1 | Very high | 85.8 | Confident | 54 Ų | 54 | 60 Ų | 60 | 33% | 0.327 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | Q53 V54 A55 E59 T60 L61 F73 | Q53-V57 WeakPolarHBondContact O-CG2 3.43Å; Q53-V57 PolarHBondContact O-N 3.43Å; V54-V57 PolarHBondContact O-N 2.97Å; A55-V57 PolarHBondContact O-N 2.73Å; V57-E59 PolarHBondContact O-N 3.36Å; V57-T60 PolarHBondContact O-N 3.49Å; V57-L61 HydrophobicContact CG1-CD1 3.82Å; V57-L61 HydrophobicContact CG1-CG 4.28Å; V57-L61 WeakPolarHBondContact O-CB 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.34Å; V57-L61 PolarHBondContact O-N 3.04Å; V57-F73 HydrophobicContact CB-CE1 3.93Å; V57-F73 HydrophobicContact CB-CZ 3.9Å; V57-F73 HydrophobicContact CG1-CD1 3.96Å; V57-F73 HydrophobicContact CG1-CD2 4.37Å; V57-F73 HydrophobicContact CG1-CE1 3.6Å; V57-F73 HydrophobicContact CG1-CE2 4.06Å; V57-F73 HydrophobicContact CG1-CG 4.33Å; V57-F73 HydrophobicContact CG1-CZ 3.65Å; V57-F73 HydrophobicContact CG2-CZ 4.49Å |
| 58 | C | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 176.2 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | V54 A55 L61 E62 L70 A96 | V54-C58 PolarHBondContact O-N 3.39Å; V54-C58 PolarHBondContact O-SG 3.5Å; A55-C58 WeakPolarHBondContact O-CB 3.16Å; A55-C58 PolarHBondContact O-N 2.69Å; C58-L61 PolarHBondContact O-N 3.42Å; C58-E62 VanDerWaalsContact O-CB 3.24Å; C58-E62 WeakPolarHBondContact O-CB 3.27Å; C58-E62 PolarHBondContact O-N 3.17Å; C58-L70 HydrophobicContact CB-CD1 4.33Å; C58-A96 HydrophobicContact CB-CB 3.85Å |
| 59 | E | 91.8 | Very high | 89 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 175.3 | -83.4 | 161 | -161.4 | 0 | 0 | 111.8 | A55 S56 V57 L61 E62 E63 S92 | A55-E59 PolarHBondContact O-N 2.91Å; S56-E59 PolarHBondContact O-N 3.32Å; V57-E59 PolarHBondContact O-N 3.36Å; E59-L61 PolarHBondContact O-N 3.09Å; E59-E62 PolarHBondContact O-N 3.14Å; E59-E63 WeakPolarHBondContact O-CG 3.45Å; E59-E63 PolarHBondContact O-N 3.04Å; E59-S92 VanDerWaalsContact OE1-CB 3.23Å; E59-S92 WeakPolarHBondContact OE1-CB 3.27Å; E59-S92 PolarHBondContact OE1-OG 3.34Å |
| 60 | T | 93.6 | Very high | 90.1 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 47% | 0.466 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | -178.9 | -54.9 | 0 | 0 | 0 | 0 | 112 | S56 V57 E62 E63 T64 | S56-T60 PolarHBondContact O-N 3.3Å; S56-T60 PolarHBondContact O-OG1 3.35Å; V57-T60 PolarHBondContact O-N 3.49Å; T60-E62 VanDerWaalsContact C-N 3.34Å; T60-E63 PolarHBondContact O-N 2.89Å; T60-T64 WeakPolarHBondContact O-CG2 3.3Å; T60-T64 PolarHBondContact O-N 3.47Å; T60-T64 PolarHBondContact O-OG1 3.45Å |
| 61 | L | 92.4 | Very high | 90.5 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -33 | 178.3 | -72.1 | 176.6 | 0 | 0 | 0 | 112.2 | V57 C58 E59 T64 G65 D66 R69 L70 F73 | V57-L61 HydrophobicContact CG1-CD1 3.82Å; V57-L61 HydrophobicContact CG1-CG 4.28Å; V57-L61 WeakPolarHBondContact O-CB 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.34Å; V57-L61 PolarHBondContact O-N 3.04Å; C58-L61 PolarHBondContact O-N 3.42Å; E59-L61 PolarHBondContact O-N 3.09Å; L61-T64 WeakPolarHBondContact CA-OG1 3.48Å; L61-T64 PolarHBondContact O-OG1 2.96Å; L61-T64 VanDerWaalsContact O-OG1 3.13Å; L61-G65 PolarHBondContact O-N 3.48Å; L61-D66 PolarHBondContact O-N 3.46Å; L61-R69 HydrophobicContact CD1-CG 4.45Å; L61-R69 HydrophobicContact CD2-CB 4.36Å; L61-R69 HydrophobicContact CD2-CG 4.03Å; L61-L70 HydrophobicContact CB-CB 4.15Å; L61-L70 HydrophobicContact CB-CD1 3.91Å; L61-L70 HydrophobicContact CD1-CB 4.46Å; L61-L70 HydrophobicContact CD1-CD1 4.11Å; L61-F73 HydrophobicContact CD1-CB 4.19Å; L61-F73 HydrophobicContact CD1-CD1 4.33Å; L61-F73 HydrophobicContact CD1-CG 4.37Å |
| 62 | E | 91.7 | Very high | 90.9 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.6 | -37.2 | 175.5 | -169.7 | -177.1 | 148.5 | 0 | 0 | 112.3 | C58 E59 T60 G65 L70 R95 V99 K126 | C58-E62 VanDerWaalsContact O-CB 3.24Å; C58-E62 WeakPolarHBondContact O-CB 3.27Å; C58-E62 PolarHBondContact O-N 3.17Å; E59-E62 PolarHBondContact O-N 3.14Å; T60-E62 VanDerWaalsContact C-N 3.34Å; E62-G65 PolarHBondContact O-N 3.25Å; E62-L70 HydrophobicContact CB-CD2 4.37Å; E62-R95 IonicContact OE1-CZ 3.33Å; E62-R95 IonicContact OE1-NE 3.77Å; E62-R95 IonicContact OE1-NH1 3.1Å; E62-R95 PolarHBondContact OE1-NH1 2.97Å; E62-R95 IonicContact OE2-CZ 3.66Å; E62-R95 IonicContact OE2-NE 3.78Å; E62-R95 PolarHBondContact OE2-NE 2.82Å; E62-R95 IonicContact OE2-NH1 3.62Å; E62-R95 PolarHBondContact OE2-NH1 2.68Å; E62-R95 IonicContact OE2-NH2 3.98Å; E62-V99 HydrophobicContact CG-CG2 4.33Å; E62-K126 WeakPolarHBondContact OE1-CE 3.49Å; E62-K126 IonicContact OE1-NZ 3.41Å; E62-K126 PolarHBondContact OE1-NZ 3.5Å |
| 63 | E | 90.8 | Very high | 91.1 | Very high | 164 Ų | 164 | 58.3 Ų | 58.3 | 77% | 0.766 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70 | -38.4 | 176.3 | -75.4 | 178.6 | -178.6 | 0 | 0 | 112.7 | E59 T60 G65 | E59-E63 WeakPolarHBondContact O-CG 3.45Å; E59-E63 PolarHBondContact O-N 3.04Å; T60-E63 PolarHBondContact O-N 2.89Å; E63-G65 PolarHBondContact O-N 3.39Å |
| 64 | T | 92.3 | Very high | 91.1 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 58% | 0.577 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -72.3 | -18.1 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | T60 L61 D66 | T60-T64 WeakPolarHBondContact O-CG2 3.3Å; T60-T64 PolarHBondContact O-N 3.47Å; T60-T64 PolarHBondContact O-OG1 3.45Å; L61-T64 WeakPolarHBondContact CA-OG1 3.48Å; L61-T64 PolarHBondContact O-OG1 2.96Å; L61-T64 VanDerWaalsContact O-OG1 3.13Å; T64-D66 VanDerWaalsContact C-N 3.31Å |
| 65 | G | 88.4 | Confident | 91 | Very high | 17 Ų | 17 | 63 Ų | 63 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L61 E62 E63 I67 | L61-G65 PolarHBondContact O-N 3.48Å; E62-G65 PolarHBondContact O-N 3.25Å; E63-G65 PolarHBondContact O-N 3.39Å; G65-I67 VanDerWaalsContact C-N 3.26Å; G65-I67 PolarHBondContact O-N 3.44Å |
| 66 | D | 91.9 | Very high | 90.7 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | trans | -80.1 | 73.9 | 176.5 | -170.6 | -10.4 | 0 | 0 | 0 | 110.7 | L61 T64 E68 R69 L70 | L61-D66 PolarHBondContact O-N 3.46Å; T64-D66 VanDerWaalsContact C-N 3.31Å; D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 3.07Å; D66-R69 HydrophobicContact CB-CB 4.23Å; D66-R69 PolarHBondContact O-N 3.18Å; D66-R69 WeakPolarHBondContact OD1-CB 3.26Å; D66-R69 PolarHBondContact OD1-N 3.09Å; D66-R69 WeakPolarHBondContact OD2-CB 3.41Å; D66-R69 WeakPolarHBondContact OD2-CD 3.18Å; D66-L70 WeakPolarHBondContact O-CB 3.4Å; D66-L70 PolarHBondContact O-N 3.47Å | ||
| 67 | I | 92.8 | Very high | 90.2 | Very high | 28 Ų | 28 | 64 Ų | 64 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -31 | -174.6 | -49.6 | -50.2 | 0 | 0 | 0 | 111.9 | G65 L70 G71 V99 V100 H103 | G65-I67 VanDerWaalsContact C-N 3.26Å; G65-I67 PolarHBondContact O-N 3.44Å; I67-L70 PolarHBondContact O-N 3.41Å; I67-G71 PolarHBondContact O-N 3.49Å; I67-V99 HydrophobicContact CD1-CG1 3.68Å; I67-V100 HydrophobicContact CG2-CG2 4.03Å; I67-H103 HydrophobicContact CG2-CB 3.83Å |
| 68 | E | 91.1 | Very high | 89.1 | Confident | 98 Ų | 98 | 63 Ų | 63 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 177.4 | -65.8 | -165.1 | 176.9 | 0 | 0 | 111.5 | D66 L70 G71 R72 | D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 3.07Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.38Å; E68-G71 PolarHBondContact O-N 3.01Å; E68-R72 WeakPolarHBondContact O-CG 3.37Å; E68-R72 PolarHBondContact O-N 3.41Å; E68-R72 IonicContact OE2-CZ 3.57Å; E68-R72 IonicContact OE2-NH1 2.72Å; E68-R72 PolarHBondContact OE2-NH1 3.33Å; E68-R72 IonicContact OE2-NH2 2.81Å; E68-R72 PolarHBondContact OE2-NH2 3.5Å |
| 69 | R | 91.8 | Very high | 87.7 | Confident | 155 Ų | 155 | 68.5 Ų | 68.5 | 59% | 0.585 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.2 | -37.8 | 176.3 | -171.6 | 173 | -177.2 | 170.1 | 1.3 | 111.1 | L61 D66 R72 F73 | L61-R69 HydrophobicContact CD1-CG 4.45Å; L61-R69 HydrophobicContact CD2-CB 4.36Å; L61-R69 HydrophobicContact CD2-CG 4.03Å; D66-R69 HydrophobicContact CB-CB 4.23Å; D66-R69 PolarHBondContact O-N 3.18Å; D66-R69 WeakPolarHBondContact OD1-CB 3.26Å; D66-R69 PolarHBondContact OD1-N 3.09Å; D66-R69 WeakPolarHBondContact OD2-CB 3.41Å; D66-R69 WeakPolarHBondContact OD2-CD 3.18Å; R69-R72 PolarHBondContact O-N 3.27Å; R69-F73 VanDerWaalsContact O-CB 3.29Å; R69-F73 WeakPolarHBondContact O-CB 3.29Å; R69-F73 PolarHBondContact O-N 2.78Å |
| 70 | L | 92.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 172.5 | -175.6 | 56.3 | 0 | 0 | 0 | 111.7 | C58 L61 E62 D66 I67 E68 F73 L74 A96 V100 | C58-L70 HydrophobicContact CB-CD1 4.33Å; L61-L70 HydrophobicContact CB-CB 4.15Å; L61-L70 HydrophobicContact CB-CD1 3.91Å; L61-L70 HydrophobicContact CD1-CB 4.46Å; L61-L70 HydrophobicContact CD1-CD1 4.11Å; E62-L70 HydrophobicContact CB-CD2 4.37Å; D66-L70 WeakPolarHBondContact O-CB 3.4Å; D66-L70 PolarHBondContact O-N 3.47Å; I67-L70 PolarHBondContact O-N 3.41Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.38Å; L70-F73 PolarHBondContact O-N 3.39Å; L70-L74 HydrophobicContact CD1-CD1 4.19Å; L70-L74 HydrophobicContact CD1-CG 4.27Å; L70-L74 HydrophobicContact CG-CD1 4.08Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.19Å; L70-L74 PolarHBondContact O-N 3.43Å; L70-A96 HydrophobicContact CD1-CB 3.98Å; L70-A96 HydrophobicContact CD2-CB 3.99Å; L70-A96 HydrophobicContact CG-CB 4.32Å; L70-V100 HydrophobicContact CB-CG2 4.21Å; L70-V100 HydrophobicContact CD2-CG2 3.98Å; L70-V100 HydrophobicContact CG-CG2 3.82Å |
| 71 | G | 90.6 | Very high | 84.6 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I67 E68 F73 L74 W75 | I67-G71 PolarHBondContact O-N 3.49Å; E68-G71 PolarHBondContact O-N 3.01Å; G71-F73 PolarHBondContact O-N 2.95Å; G71-L74 PolarHBondContact O-N 3.35Å; G71-W75 WeakPolarHBondContact O-CB 3.03Å; G71-W75 PolarHBondContact O-N 2.98Å |
| 72 | R | 90.6 | Very high | 83.3 | Confident | 157 Ų | 157 | 71 Ų | 71 | 59% | 0.592 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 176.2 | -67.6 | -179 | -165.5 | 102.3 | 4.1 | 111.8 | E68 R69 W75 S76 | E68-R72 WeakPolarHBondContact O-CG 3.37Å; E68-R72 PolarHBondContact O-N 3.41Å; E68-R72 IonicContact OE2-CZ 3.57Å; E68-R72 IonicContact OE2-NH1 2.72Å; E68-R72 PolarHBondContact OE2-NH1 3.33Å; E68-R72 IonicContact OE2-NH2 2.81Å; E68-R72 PolarHBondContact OE2-NH2 3.5Å; R69-R72 PolarHBondContact O-N 3.27Å; R72-W75 PolarHBondContact O-N 2.87Å; R72-S76 PolarHBondContact O-N 3.46Å; R72-S76 PolarHBondContact O-OG 3.25Å |
| 73 | F | 90 | Very high | 82.1 | Confident | 30 Ų | 30 | 72.1 Ų | 72.1 | 13% | 0.132 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 177.3 | 176.9 | -112.2 | 0 | 0 | 0 | 111.2 | F49 V54 V57 L61 R69 L70 G71 W75 S76 L77 | F49-F73 HydrophobicContact CE2-CE2 4.24Å; V54-F73 HydrophobicContact CG1-CE1 3.88Å; V54-F73 HydrophobicContact CG1-CZ 4.06Å; V57-F73 HydrophobicContact CB-CE1 3.93Å; V57-F73 HydrophobicContact CB-CZ 3.9Å; V57-F73 HydrophobicContact CG1-CD1 3.96Å; V57-F73 HydrophobicContact CG1-CD2 4.37Å; V57-F73 HydrophobicContact CG1-CE1 3.6Å; V57-F73 HydrophobicContact CG1-CE2 4.06Å; V57-F73 HydrophobicContact CG1-CG 4.33Å; V57-F73 HydrophobicContact CG1-CZ 3.65Å; V57-F73 HydrophobicContact CG2-CZ 4.49Å; L61-F73 HydrophobicContact CD1-CB 4.19Å; L61-F73 HydrophobicContact CD1-CD1 4.33Å; L61-F73 HydrophobicContact CD1-CG 4.37Å; R69-F73 VanDerWaalsContact O-CB 3.29Å; R69-F73 WeakPolarHBondContact O-CB 3.29Å; R69-F73 PolarHBondContact O-N 2.78Å; L70-F73 PolarHBondContact O-N 3.39Å; G71-F73 PolarHBondContact O-N 2.95Å; F73-W75 VanDerWaalsContact C-N 3.26Å; F73-W75 PolarHBondContact O-N 3.03Å; F73-S76 PolarHBondContact O-N 3.42Å; F73-S76 PolarHBondContact O-OG 3.14Å; F73-L77 HydrophobicContact CE1-CD2 4.23Å; F73-L77 HydrophobicContact CE2-CD2 4.28Å; F73-L77 HydrophobicContact CZ-CD2 3.94Å; F73-L77 PolarHBondContact O-N 2.87Å |
| 74 | L | 88.3 | Confident | 81 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -33.9 | 177.9 | -72.3 | 171.4 | 0 | 0 | 0 | 112.7 | L70 G71 L77 I93 A96 R97 V100 | L70-L74 HydrophobicContact CD1-CD1 4.19Å; L70-L74 HydrophobicContact CD1-CG 4.27Å; L70-L74 HydrophobicContact CG-CD1 4.08Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.19Å; L70-L74 PolarHBondContact O-N 3.43Å; G71-L74 PolarHBondContact O-N 3.35Å; L74-L77 HydrophobicContact CD2-CD1 3.94Å; L74-I93 HydrophobicContact CD2-CG2 4.01Å; L74-A96 HydrophobicContact CD1-CB 4.15Å; L74-R97 HydrophobicContact CD1-CG 3.85Å; L74-R97 HydrophobicContact CD2-CG 4.16Å; L74-V100 HydrophobicContact CD1-CG2 3.94Å |
| 75 | W | 86.1 | Confident | 80.1 | Confident | 186 Ų | 186 | 67.7 Ų | 67.7 | 71% | 0.705 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.6 | -32.1 | 174.2 | -170.9 | -93.1 | 0 | 0 | 0 | 113.1 | G71 R72 F73 L77 | G71-W75 WeakPolarHBondContact O-CB 3.03Å; G71-W75 PolarHBondContact O-N 2.98Å; R72-W75 PolarHBondContact O-N 2.87Å; F73-W75 VanDerWaalsContact C-N 3.26Å; F73-W75 PolarHBondContact O-N 3.03Å; W75-L77 VanDerWaalsContact C-N 3.3Å; W75-L77 PolarHBondContact O-N 3.38Å |
| 76 | S | 84.4 | Confident | 79.3 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -78.8 | -7.9 | 179.5 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | R72 F73 | R72-S76 PolarHBondContact O-N 3.46Å; R72-S76 PolarHBondContact O-OG 3.25Å; F73-S76 PolarHBondContact O-N 3.42Å; F73-S76 PolarHBondContact O-OG 3.14Å |
| 77 | L | 80.8 | Confident | 78.6 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -63.5 | 142 | -177.9 | -69.5 | 177.9 | 0 | 0 | 0 | 111.6 | V54 F73 L74 W75 V79 I87 | V54-L77 HydrophobicContact CB-CD2 4.43Å; V54-L77 HydrophobicContact CG1-CD1 3.71Å; V54-L77 HydrophobicContact CG1-CD2 3.6Å; V54-L77 HydrophobicContact CG1-CG 4.33Å; V54-L77 HydrophobicContact CG2-CD2 3.86Å; F73-L77 HydrophobicContact CE1-CD2 4.23Å; F73-L77 HydrophobicContact CE2-CD2 4.28Å; F73-L77 HydrophobicContact CZ-CD2 3.94Å; F73-L77 PolarHBondContact O-N 2.87Å; L74-L77 HydrophobicContact CD2-CD1 3.94Å; W75-L77 VanDerWaalsContact C-N 3.3Å; W75-L77 PolarHBondContact O-N 3.38Å; L77-V79 PolarHBondContact O-N 3.33Å; L77-I87 HydrophobicContact CD1-CG2 4.14Å |
| 78 | P | 68.1 | Low | 77.9 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 21% | 0.214 | 38% | 0.376 | C | S | . | . | trans | -60.6 | 126 | -176.6 | 22.7 | -32 | 0 | 0 | 0 | 111.3 | A80 | P78-A80 PolarHBondContact O-N 2.96Š| ||
| 79 | V | 61.7 | Low | 77.5 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 70% | 0.703 | 39% | 0.387 | S | S | * | . | trans | -82.5 | 8.7 | 179.4 | -162.8 | 0 | 0 | 0 | 0 | 111.8 | L77 | L77-V79 PolarHBondContact O-N 3.33Š| ||
| 80 | A | 61.1 | Low | 77.3 | Confident | 55 Ų | 55 | 69 Ų | 69 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | trans | -58.5 | 124.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P78 G82 A83 C84 | P78-A80 PolarHBondContact O-N 2.96Å; A80-G82 VanDerWaalsContact C-N 3.27Å; A80-G82 PolarHBondContact O-N 2.9Å; A80-G82 VanDerWaalsContact O-N 3.11Å; A80-A83 HydrophobicContact CB-CB 4.4Å; A80-A83 PolarHBondContact O-N 3.3Å; A80-C84 WeakPolarHBondContact O-CB 3.41Å; A80-C84 PolarHBondContact O-N 3.3Å | ||
| 81 | P | 59.9 | Low | 77.2 | Confident | 107 Ų | 107 | 70.9 Ų | 70.9 | 70% | 0.695 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -55.9 | -37.3 | -166.5 | 7.5 | -20.2 | 0 | 0 | 0 | 113.9 | E85 | P81-E85 PolarHBondContact O-N 2.92Å |
| 82 | G | 64.8 | Low | 77.3 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -72.4 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | A80 | A80-G82 VanDerWaalsContact C-N 3.27Å; A80-G82 PolarHBondContact O-N 2.9Å; A80-G82 VanDerWaalsContact O-N 3.11Å |
| 83 | A | 65.9 | Low | 77.3 | Confident | 34 Ų | 34 | 63 Ų | 63 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.5 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | A80 E85 Q86 I87 | A80-A83 HydrophobicContact CB-CB 4.4Å; A80-A83 PolarHBondContact O-N 3.3Å; A83-E85 PolarHBondContact O-N 3.3Å; A83-Q86 PolarHBondContact O-N 3.49Å; A83-I87 HydrophobicContact CB-CD1 4.44Å; A83-I87 WeakPolarHBondContact O-CB 3.44Å; A83-I87 WeakPolarHBondContact O-CD1 3.28Å; A83-I87 WeakPolarHBondContact O-CG1 3.29Å; A83-I87 PolarHBondContact O-N 3.37Å |
| 84 | C | 67.9 | Low | 77.4 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 179.3 | -170.9 | 0 | 0 | 0 | 0 | 112.1 | A80 Q86 I87 N88 | A80-C84 WeakPolarHBondContact O-CB 3.41Å; A80-C84 PolarHBondContact O-N 3.3Å; C84-Q86 PolarHBondContact O-N 3.35Å; C84-I87 PolarHBondContact O-N 2.96Å; C84-N88 VanDerWaalsContact O-CB 3.29Å; C84-N88 WeakPolarHBondContact O-CB 3.35Å; C84-N88 PolarHBondContact O-N 3.29Å; C84-N88 PolarHBondContact O-ND2 3.27Å; C84-N88 PolarHBondContact SG-ND2 3.36Å |
| 85 | E | 73.8 | Confident | 77.7 | Confident | 129 Ų | 129 | 62.7 Ų | 62.7 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 177.1 | -76.2 | -175.9 | -174.5 | 0 | 0 | 113.4 | P81 A83 K89 | P81-E85 PolarHBondContact O-N 2.92Å; A83-E85 PolarHBondContact O-N 3.3Å; E85-K89 WeakPolarHBondContact O-CG 3.33Å; E85-K89 PolarHBondContact O-N 2.88Å |
| 86 | Q | 72.1 | Confident | 78 | Confident | 115 Ų | 115 | 53.8 Ų | 53.8 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 177.7 | -68.7 | -179.9 | -4.9 | 0 | 0 | 111.4 | P51 A83 C84 N88 K89 | P51-Q86 HydrophobicContact CG-CB 4.1Å; A83-Q86 PolarHBondContact O-N 3.49Å; C84-Q86 PolarHBondContact O-N 3.35Å; Q86-N88 VanDerWaalsContact C-N 3.34Å; Q86-N88 PolarHBondContact O-N 2.87Å; Q86-K89 WeakPolarHBondContact O-CB 3.47Å; Q86-K89 PolarHBondContact O-N 3.41Å |
| 87 | I | 76.9 | Confident | 78.5 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 175 | -71.3 | 169.9 | 0 | 0 | 0 | 110.9 | L77 A83 C84 K89 H90 I93 | L77-I87 HydrophobicContact CD1-CG2 4.14Å; A83-I87 HydrophobicContact CB-CD1 4.44Å; A83-I87 WeakPolarHBondContact O-CB 3.44Å; A83-I87 WeakPolarHBondContact O-CD1 3.28Å; A83-I87 WeakPolarHBondContact O-CG1 3.29Å; A83-I87 PolarHBondContact O-N 3.37Å; C84-I87 PolarHBondContact O-N 2.96Å; I87-K89 PolarHBondContact O-N 3.28Å; I87-H90 PolarHBondContact O-N 3.43Å; I87-I93 HydrophobicContact CB-CD1 4.41Å; I87-I93 HydrophobicContact CG2-CD1 3.82Å; I87-I93 HydrophobicContact CG2-CG2 3.93Å |
| 88 | N | 78.7 | Confident | 79.2 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -6.5 | 179.1 | -67.4 | -27 | 0 | 0 | 0 | 114.1 | C84 Q86 L94 R97 | C84-N88 VanDerWaalsContact O-CB 3.29Å; C84-N88 WeakPolarHBondContact O-CB 3.35Å; C84-N88 PolarHBondContact O-N 3.29Å; C84-N88 PolarHBondContact O-ND2 3.27Å; C84-N88 PolarHBondContact SG-ND2 3.36Å; Q86-N88 VanDerWaalsContact C-N 3.34Å; Q86-N88 PolarHBondContact O-N 2.87Å; N88-L94 WeakPolarHBondContact O-CD1 3.3Å; N88-R97 PolarHBondContact OD1-NH1 3.21Å; N88-R97 PolarHBondContact OD1-NH2 3.2Å; N88-R97 VanDerWaalsContact OD1-NH2 3.09Å |
| 89 | K | 82.3 | Confident | 80.5 | Confident | 162 Ų | 162 | 51.9 Ų | 51.9 | 70% | 0.704 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -22.2 | 171.6 | -74 | 169.6 | -174.4 | 176.5 | 0 | 112.5 | E85 Q86 I87 E91 | E85-K89 WeakPolarHBondContact O-CG 3.33Å; E85-K89 PolarHBondContact O-N 2.88Å; Q86-K89 WeakPolarHBondContact O-CB 3.47Å; Q86-K89 PolarHBondContact O-N 3.41Å; I87-K89 PolarHBondContact O-N 3.28Å; K89-E91 PolarHBondContact O-N 3.47Å |
| 90 | H | 87.1 | Confident | 82.1 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | -77.6 | 122.4 | -175.3 | -136.1 | -78.4 | 0 | 0 | 0 | 110.9 | A55 I87 S92 I93 L94 | A55-H90 VanDerWaalsContact CB-CE1 3.43Å; A55-H90 WeakPolarHBondContact CB-CE1 3.36Å; A55-H90 VanDerWaalsContact CB-ND1 3.29Å; A55-H90 WeakPolarHBondContact CB-ND1 3.5Å; I87-H90 PolarHBondContact O-N 3.43Å; H90-S92 VanDerWaalsContact C-N 3.34Å; H90-S92 PolarHBondContact O-N 3.01Å; H90-I93 HydrophobicContact CB-CB 4.42Å; H90-I93 HydrophobicContact CB-CD1 3.77Å; H90-I93 HydrophobicContact CB-CG1 4Å; H90-I93 PolarHBondContact O-N 3.33Å; H90-L94 PolarHBondContact O-N 2.93Å | ||
| 91 | E | 90.8 | Very high | 83.7 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | -176.3 | -175.7 | 178.6 | 151.7 | 0 | 0 | 112.4 | K89 I93 L94 R95 F119 T120 S123 | K89-E91 PolarHBondContact O-N 3.47Å; E91-I93 PolarHBondContact O-N 2.95Å; E91-L94 PolarHBondContact O-N 3.38Å; E91-L94 VanDerWaalsContact O-N 3.15Å; E91-R95 WeakPolarHBondContact O-CB 3.36Å; E91-R95 PolarHBondContact O-N 3.16Å; E91-F119 HydrophobicContact CG-CD1 3.56Å; E91-F119 HydrophobicContact CG-CE1 4.17Å; E91-F119 HydrophobicContact CG-CG 4.48Å; E91-T120 VanDerWaalsContact CD-N 3.28Å; E91-T120 VanDerWaalsContact CD-OG1 3.31Å; E91-T120 PolarHBondContact OE1-N 2.93Å; E91-T120 PolarHBondContact OE1-OG1 3.1Å; E91-T120 WeakPolarHBondContact OE2-CB 3.39Å; E91-T120 WeakPolarHBondContact OE2-CG2 3.39Å; E91-T120 PolarHBondContact OE2-N 3.42Å; E91-T120 PolarHBondContact OE2-OG1 2.93Å; E91-S123 VanDerWaalsContact OE1-CB 3.23Å; E91-S123 WeakPolarHBondContact OE1-CB 3.31Å; E91-S123 PolarHBondContact OE1-OG 2.98Å |
| 92 | S | 91.5 | Very high | 85.4 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.2 | -36.7 | -179.5 | -42.1 | 0 | 0 | 0 | 0 | 112.4 | E59 H90 A96 | E59-S92 VanDerWaalsContact OE1-CB 3.23Å; E59-S92 WeakPolarHBondContact OE1-CB 3.27Å; E59-S92 PolarHBondContact OE1-OG 3.34Å; H90-S92 VanDerWaalsContact C-N 3.34Å; H90-S92 PolarHBondContact O-N 3.01Å; S92-A96 VanDerWaalsContact O-CB 3.31Å; S92-A96 WeakPolarHBondContact O-CB 3.42Å; S92-A96 PolarHBondContact O-N 3.4Å |
| 93 | I | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.1 | -41.7 | -179.2 | -56.9 | 177 | 0 | 0 | 0 | 110.3 | V54 A55 L74 I87 H90 E91 A96 R97 | V54-I93 HydrophobicContact CB-CD1 4.03Å; V54-I93 HydrophobicContact CG1-CD1 3.61Å; V54-I93 HydrophobicContact CG1-CG1 4.19Å; A55-I93 HydrophobicContact CB-CD1 4.43Å; A55-I93 HydrophobicContact CB-CG1 4.26Å; L74-I93 HydrophobicContact CD2-CG2 4.01Å; I87-I93 HydrophobicContact CB-CD1 4.41Å; I87-I93 HydrophobicContact CG2-CD1 3.82Å; I87-I93 HydrophobicContact CG2-CG2 3.93Å; H90-I93 HydrophobicContact CB-CB 4.42Å; H90-I93 HydrophobicContact CB-CD1 3.77Å; H90-I93 HydrophobicContact CB-CG1 4Å; H90-I93 PolarHBondContact O-N 3.33Å; E91-I93 PolarHBondContact O-N 2.95Å; I93-A96 PolarHBondContact O-N 3.38Å; I93-R97 WeakPolarHBondContact O-CG 3.43Å; I93-R97 PolarHBondContact O-N 3.45Å |
| 94 | L | 92.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.5 | -67.7 | 170.1 | 0 | 0 | 0 | 111.6 | N88 H90 E91 R97 A98 I113 H117 F119 | N88-L94 WeakPolarHBondContact O-CD1 3.3Å; H90-L94 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 3.38Å; E91-L94 VanDerWaalsContact O-N 3.15Å; L94-R97 PolarHBondContact O-N 3.28Å; L94-A98 PolarHBondContact O-N 3.36Å; L94-I113 HydrophobicContact CB-CG2 4.39Å; L94-H117 HydrophobicContact CD1-CB 3.78Å; L94-H117 WeakPolarHBondContact CD1-ND1 3.41Å; L94-F119 HydrophobicContact CB-CE1 3.99Å; L94-F119 HydrophobicContact CB-CZ 4.16Å |
| 95 | R | 93.4 | Very high | 89.3 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 174.3 | 176.6 | 177.4 | 54 | 109.8 | -1.1 | 111.1 | E62 E91 R97 A98 V99 F119 L127 | E62-R95 IonicContact OE1-CZ 3.33Å; E62-R95 IonicContact OE1-NE 3.77Å; E62-R95 IonicContact OE1-NH1 3.1Å; E62-R95 PolarHBondContact OE1-NH1 2.97Å; E62-R95 IonicContact OE2-CZ 3.66Å; E62-R95 IonicContact OE2-NE 3.78Å; E62-R95 PolarHBondContact OE2-NE 2.82Å; E62-R95 IonicContact OE2-NH1 3.62Å; E62-R95 PolarHBondContact OE2-NH1 2.68Å; E62-R95 IonicContact OE2-NH2 3.98Å; E91-R95 WeakPolarHBondContact O-CB 3.36Å; E91-R95 PolarHBondContact O-N 3.16Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.15Å; R95-A98 WeakPolarHBondContact O-CB 3.48Å; R95-A98 PolarHBondContact O-N 3.24Å; R95-A98 VanDerWaalsContact O-N 3.1Å; R95-V99 WeakPolarHBondContact O-CG2 3.45Å; R95-V99 PolarHBondContact O-N 3.27Å; R95-F119 HydrophobicContact CB-CE1 4.47Å; R95-L127 HydrophobicContact CG-CD2 4.19Å |
| 96 | A | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C58 L70 L74 S92 I93 V99 V100 | C58-A96 HydrophobicContact CB-CB 3.85Å; L70-A96 HydrophobicContact CD1-CB 3.98Å; L70-A96 HydrophobicContact CD2-CB 3.99Å; L70-A96 HydrophobicContact CG-CB 4.32Å; L74-A96 HydrophobicContact CD1-CB 4.15Å; S92-A96 VanDerWaalsContact O-CB 3.31Å; S92-A96 WeakPolarHBondContact O-CB 3.42Å; S92-A96 PolarHBondContact O-N 3.4Å; I93-A96 PolarHBondContact O-N 3.38Å; A96-V99 PolarHBondContact O-N 3.34Å; A96-V100 WeakPolarHBondContact O-CG2 3.48Å; A96-V100 PolarHBondContact O-N 2.94Å |
| 97 | R | 93.3 | Very high | 91.4 | Very high | 75 Ų | 75 | 39.6 Ų | 39.6 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 173.3 | -75.8 | -179.2 | 175.9 | 176 | 8.5 | 112.6 | L74 N88 I93 L94 R95 V99 V100 A101 I113 | L74-R97 HydrophobicContact CD1-CG 3.85Å; L74-R97 HydrophobicContact CD2-CG 4.16Å; N88-R97 PolarHBondContact OD1-NH1 3.21Å; N88-R97 PolarHBondContact OD1-NH2 3.2Å; N88-R97 VanDerWaalsContact OD1-NH2 3.09Å; I93-R97 WeakPolarHBondContact O-CG 3.43Å; I93-R97 PolarHBondContact O-N 3.45Å; L94-R97 PolarHBondContact O-N 3.28Å; R95-R97 VanDerWaalsContact C-N 3.31Å; R95-R97 PolarHBondContact O-N 3.15Å; R97-V99 VanDerWaalsContact C-N 3.33Å; R97-V100 PolarHBondContact O-N 3.32Å; R97-A101 WeakPolarHBondContact O-CB 3.44Å; R97-A101 PolarHBondContact O-N 3.03Å; R97-I113 HydrophobicContact CB-CD1 3.81Å |
| 98 | A | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L94 R95 A101 F102 L110 I113 L114 M130 | L94-A98 PolarHBondContact O-N 3.36Å; R95-A98 WeakPolarHBondContact O-CB 3.48Å; R95-A98 PolarHBondContact O-N 3.24Å; R95-A98 VanDerWaalsContact O-N 3.1Å; A98-A101 PolarHBondContact O-N 3.36Å; A98-F102 WeakPolarHBondContact O-CB 3.28Å; A98-F102 PolarHBondContact O-N 3.46Å; A98-L110 HydrophobicContact CB-CD1 3.76Å; A98-I113 HydrophobicContact CB-CG2 4.21Å; A98-L114 HydrophobicContact CB-CD2 4.4Å; A98-M130 HydrophobicContact CB-CE 4.15Å |
| 99 | V | 95.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | E62 I67 R95 A96 R97 A101 F102 H103 M130 | E62-V99 HydrophobicContact CG-CG2 4.33Å; I67-V99 HydrophobicContact CD1-CG1 3.68Å; R95-V99 WeakPolarHBondContact O-CG2 3.45Å; R95-V99 PolarHBondContact O-N 3.27Å; A96-V99 PolarHBondContact O-N 3.34Å; R97-V99 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.03Å; V99-F102 PolarHBondContact O-N 3.16Å; V99-H103 PolarHBondContact O-CD2 3.36Å; V99-H103 PolarHBondContact O-N 3.44Å; V99-M130 HydrophobicContact CB-SD 4.47Å; V99-M130 HydrophobicContact CG2-CE 4.05Å; V99-M130 HydrophobicContact CG2-SD 3.9Å |
| 100 | V | 95.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 42.9 Ų | 42.9 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 177 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | I67 L70 L74 A96 R97 F102 H103 T104 | I67-V100 HydrophobicContact CG2-CG2 4.03Å; L70-V100 HydrophobicContact CB-CG2 4.21Å; L70-V100 HydrophobicContact CD2-CG2 3.98Å; L70-V100 HydrophobicContact CG-CG2 3.82Å; L74-V100 HydrophobicContact CD1-CG2 3.94Å; A96-V100 WeakPolarHBondContact O-CG2 3.48Å; A96-V100 PolarHBondContact O-N 2.94Å; R97-V100 PolarHBondContact O-N 3.32Å; V100-F102 VanDerWaalsContact C-N 3.32Å; V100-F102 PolarHBondContact O-N 3.47Å; V100-H103 PolarHBondContact O-N 3.42Å; V100-T104 HydrophobicContact CG1-CG2 4.16Å; V100-T104 WeakPolarHBondContact O-CB 3.49Å; V100-T104 VanDerWaalsContact O-CG2 3.26Å; V100-T104 WeakPolarHBondContact O-CG2 3.39Å; V100-T104 PolarHBondContact O-N 2.57Å; V100-T104 PolarHBondContact O-OG1 2.82Å |
| 101 | A | 95.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R97 A98 V99 T104 G105 N106 D109 L110 | R97-A101 WeakPolarHBondContact O-CB 3.44Å; R97-A101 PolarHBondContact O-N 3.03Å; A98-A101 PolarHBondContact O-N 3.36Å; V99-A101 PolarHBondContact O-N 3.03Å; A101-T104 WeakPolarHBondContact CA-OG1 3.13Å; A101-T104 PolarHBondContact O-OG1 3.44Å; A101-T104 VanDerWaalsContact O-OG1 3.09Å; A101-G105 PolarHBondContact O-N 3.13Å; A101-N106 CarbonylContact O-C 3.56Å; A101-N106 PolarHBondContact O-N 2.99Å; A101-D109 HydrophobicContact CB-CB 4.3Å; A101-L110 HydrophobicContact CB-CB 4.1Å |
| 102 | F | 96.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.9 | -49.4 | 175.7 | 177.9 | -102.1 | 0 | 0 | 0 | 112.1 | A98 V99 V100 T104 G105 F107 L110 M130 E133 A134 | A98-F102 WeakPolarHBondContact O-CB 3.28Å; A98-F102 PolarHBondContact O-N 3.46Å; V99-F102 PolarHBondContact O-N 3.16Å; V100-F102 VanDerWaalsContact C-N 3.32Å; V100-F102 PolarHBondContact O-N 3.47Å; F102-T104 PolarHBondContact O-N 3.36Å; F102-G105 PolarHBondContact O-N 3.08Å; F102-F107 HydrophobicContact CD2-CE1 4.11Å; F102-F107 HydrophobicContact CE2-CE1 4.39Å; F102-L110 HydrophobicContact CB-CD2 4.15Å; F102-L110 HydrophobicContact CD2-CD2 3.92Å; F102-M130 HydrophobicContact CB-SD 3.98Å; F102-M130 HydrophobicContact CD1-CG 4.36Å; F102-M130 HydrophobicContact CD1-SD 4.43Å; F102-M130 HydrophobicContact CD2-CB 4.15Å; F102-M130 HydrophobicContact CD2-CG 4.36Å; F102-M130 HydrophobicContact CG-CB 4.38Å; F102-M130 HydrophobicContact CG-CG 4.16Å; F102-M130 HydrophobicContact CG-SD 4.18Å; F102-E133 HydrophobicContact CE2-CB 3.96Å; F102-E133 HydrophobicContact CE2-CG 4.13Å; F102-E133 HydrophobicContact CZ-CB 4.01Å; F102-E133 HydrophobicContact CZ-CG 3.77Å; F102-A134 HydrophobicContact CD2-CB 4.16Å; F102-A134 HydrophobicContact CE2-CB 4.19Å |
| 103 | H | 94.6 | Very high | 94.4 | Very high | 95 Ų | 95 | 45 Ų | 45 | 44% | 0.44 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.7 | -28.9 | -178.5 | -85.3 | -84.6 | 0 | 0 | 0 | 114 | I67 V99 V100 G105 | I67-H103 HydrophobicContact CG2-CB 3.83Å; V99-H103 PolarHBondContact O-CD2 3.36Å; V99-H103 PolarHBondContact O-N 3.44Å; V100-H103 PolarHBondContact O-N 3.42Å; H103-G105 PolarHBondContact O-N 3.19Å |
| 104 | T | 92.3 | Very high | 94.6 | Very high | 96 Ų | 96 | 45 Ų | 45 | 59% | 0.589 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -6.7 | 174.3 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | V100 A101 F102 N106 | V100-T104 HydrophobicContact CG1-CG2 4.16Å; V100-T104 WeakPolarHBondContact O-CB 3.49Å; V100-T104 VanDerWaalsContact O-CG2 3.26Å; V100-T104 WeakPolarHBondContact O-CG2 3.39Å; V100-T104 PolarHBondContact O-N 2.57Å; V100-T104 PolarHBondContact O-OG1 2.82Å; A101-T104 WeakPolarHBondContact CA-OG1 3.13Å; A101-T104 PolarHBondContact O-OG1 3.44Å; A101-T104 VanDerWaalsContact O-OG1 3.09Å; F102-T104 PolarHBondContact O-N 3.36Å; T104-N106 PolarHBondContact O-N 3.47Å |
| 105 | G | 93 | Very high | 94.7 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 10.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A101 F102 H103 F107 | A101-G105 PolarHBondContact O-N 3.13Å; F102-G105 PolarHBondContact O-N 3.08Å; H103-G105 PolarHBondContact O-N 3.19Å; G105-F107 VanDerWaalsContact C-N 3.27Å; G105-F107 PolarHBondContact O-N 3.43Å |
| 106 | N | 94.5 | Very high | 94.6 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | trans | -84.5 | 73.7 | 173.9 | -173.4 | -2.5 | 0 | 0 | 0 | 110 | A101 T104 R108 D109 L110 | A101-N106 CarbonylContact O-C 3.56Å; A101-N106 PolarHBondContact O-N 2.99Å; T104-N106 PolarHBondContact O-N 3.47Å; N106-R108 PolarHBondContact O-N 2.78Å; N106-D109 VanDerWaalsContact ND2-CG 3.34Å; N106-D109 PolarHBondContact ND2-OD2 3.26Å; N106-D109 PolarHBondContact O-N 3.13Å; N106-D109 PolarHBondContact OD1-N 2.98Å; N106-L110 PolarHBondContact O-N 2.84Å | ||
| 107 | F | 96.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -24.6 | -177 | -55.5 | -48.9 | 0 | 0 | 0 | 113.4 | F102 G105 D109 L110 Y111 A134 Q137 E138 | F102-F107 HydrophobicContact CD2-CE1 4.11Å; F102-F107 HydrophobicContact CE2-CE1 4.39Å; G105-F107 VanDerWaalsContact C-N 3.27Å; G105-F107 PolarHBondContact O-N 3.43Å; F107-D109 PolarHBondContact O-N 3.45Å; F107-L110 HydrophobicContact CD1-CD2 4.32Å; F107-L110 WeakPolarHBondContact O-CB 3.37Å; F107-L110 PolarHBondContact O-N 2.89Å; F107-Y111 HydrophobicContact CB-CD2 4.44Å; F107-Y111 HydrophobicContact CB-CE1 4.41Å; F107-Y111 HydrophobicContact CB-CE2 3.69Å; F107-Y111 WeakPolarHBondContact O-CD2 3.45Å; F107-Y111 WeakPolarHBondContact O-CE2 3.49Å; F107-Y111 PolarHBondContact O-N 3.34Å; F107-A134 HydrophobicContact CB-CB 4.45Å; F107-A134 HydrophobicContact CD1-CB 3.45Å; F107-A134 VanDerWaalsContact CD1-CB 3.45Å; F107-A134 HydrophobicContact CE1-CB 3.81Å; F107-A134 HydrophobicContact CG-CB 3.99Å; F107-Q137 HydrophobicContact CE2-CB 4.38Å; F107-Q137 HydrophobicContact CZ-CB 4.16Å; F107-E138 HydrophobicContact CD2-CG 3.48Å; F107-E138 VanDerWaalsContact CD2-CG 3.48Å; F107-E138 HydrophobicContact CE2-CG 3.92Å; F107-E138 HydrophobicContact CG-CG 4.39Å |
| 108 | R | 95.6 | Very high | 94.3 | Very high | 204 Ų | 204 | 60.7 Ų | 60.7 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 177.2 | -175.6 | 178.4 | 179.1 | 174.6 | -1.2 | 111.6 | N106 Y111 H112 | N106-R108 PolarHBondContact O-N 2.78Å; R108-Y111 PolarHBondContact O-N 3.44Å; R108-H112 WeakPolarHBondContact O-CB 3.19Å; R108-H112 PolarHBondContact O-N 3.1Å |
| 109 | D | 94.1 | Very high | 94.1 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 178.4 | -73.6 | -9.1 | 0 | 0 | 0 | 111.4 | A101 N106 F107 Y111 H112 I113 | A101-D109 HydrophobicContact CB-CB 4.3Å; N106-D109 VanDerWaalsContact ND2-CG 3.34Å; N106-D109 PolarHBondContact ND2-OD2 3.26Å; N106-D109 PolarHBondContact O-N 3.13Å; N106-D109 PolarHBondContact OD1-N 2.98Å; F107-D109 PolarHBondContact O-N 3.45Å; D109-Y111 PolarHBondContact O-N 3.06Å; D109-H112 PolarHBondContact O-N 3.11Å; D109-I113 VanDerWaalsContact O-CG1 3.3Å; D109-I113 WeakPolarHBondContact O-CG1 3.45Å; D109-I113 PolarHBondContact O-N 3.36Å |
| 110 | L | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.2 | -51.6 | 171.4 | 173.1 | 66.5 | 0 | 0 | 0 | 111 | A98 A101 F102 N106 F107 H112 I113 L114 A134 | A98-L110 HydrophobicContact CB-CD1 3.76Å; A101-L110 HydrophobicContact CB-CB 4.1Å; F102-L110 HydrophobicContact CB-CD2 4.15Å; F102-L110 HydrophobicContact CD2-CD2 3.92Å; N106-L110 PolarHBondContact O-N 2.84Å; F107-L110 HydrophobicContact CD1-CD2 4.32Å; F107-L110 WeakPolarHBondContact O-CB 3.37Å; F107-L110 PolarHBondContact O-N 2.89Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H112 PolarHBondContact O-N 2.82Å; L110-I113 PolarHBondContact O-N 3.41Å; L110-L114 HydrophobicContact CD1-CD1 3.66Å; L110-L114 HydrophobicContact CD1-CG 4Å; L110-L114 HydrophobicContact CG-CD1 4Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 VanDerWaalsContact O-CG 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.27Å; L110-L114 PolarHBondContact O-N 2.88Å; L110-A134 HydrophobicContact CD2-CB 3.65Å |
| 111 | Y | 96.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 70.9 Ų | 70.9 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 179.6 | -55.8 | -34.5 | 0 | 0 | 0 | 111.5 | F107 R108 D109 I113 L114 E115 W131 A134 H135 E138 | F107-Y111 HydrophobicContact CB-CD2 4.44Å; F107-Y111 HydrophobicContact CB-CE1 4.41Å; F107-Y111 HydrophobicContact CB-CE2 3.69Å; F107-Y111 WeakPolarHBondContact O-CD2 3.45Å; F107-Y111 WeakPolarHBondContact O-CE2 3.49Å; F107-Y111 PolarHBondContact O-N 3.34Å; R108-Y111 PolarHBondContact O-N 3.44Å; D109-Y111 PolarHBondContact O-N 3.06Å; Y111-I113 PolarHBondContact O-N 3.41Å; Y111-L114 PolarHBondContact O-N 2.94Å; Y111-E115 WeakPolarHBondContact O-CB 3.43Å; Y111-E115 VanDerWaalsContact O-CG 3.28Å; Y111-E115 WeakPolarHBondContact O-CG 3.43Å; Y111-E115 PolarHBondContact O-N 3.36Å; Y111-W131 HydrophobicContact CD1-CD2 4.44Å; Y111-W131 AromaticContact CD1-CE3 3.74Å; Y111-W131 HydrophobicContact CD1-CE3 3.74Å; Y111-W131 HydrophobicContact CD1-CH2 4.2Å; Y111-W131 AromaticContact CD1-CZ3 3.6Å; Y111-W131 HydrophobicContact CD1-CZ3 3.6Å; Y111-W131 HydrophobicContact CE1-CE3 4.36Å; Y111-W131 HydrophobicContact CG-CZ3 4.14Å; Y111-A134 HydrophobicContact CE1-CB 3.92Å; Y111-A134 WeakPolarHBondContact OH-CB 3.44Å; Y111-H135 AromaticContact CE1-CE1 3.64Å; Y111-H135 AromaticContact CE1-NE2 3.66Å; Y111-H135 AromaticContact CE2-CE1 3.62Å; Y111-H135 AromaticContact CZ-CE1 3.27Å; Y111-H135 AromaticContact CZ-ND1 3.46Å; Y111-H135 AromaticContact CZ-NE2 3.8Å; Y111-H135 PolarHBondContact OH-CE1 3.43Å; Y111-H135 PolarHBondContact OH-N 2.92Å; Y111-H135 PolarHBondContact OH-ND1 3.24Å; Y111-E138 PolarHBondContact OH-OE2 3.34Å |
| 112 | H | 95.3 | Very high | 93.3 | Very high | 111 Ų | 111 | 77.8 Ų | 77.8 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 178 | -175.6 | 76.6 | 0 | 0 | 0 | 112.8 | R108 D109 L110 N116 | R108-H112 WeakPolarHBondContact O-CB 3.19Å; R108-H112 PolarHBondContact O-N 3.1Å; D109-H112 PolarHBondContact O-N 3.11Å; L110-H112 VanDerWaalsContact C-N 3.32Å; L110-H112 PolarHBondContact O-N 2.82Å; H112-N116 PolarHBondContact CE1-ND2 3.04Å; H112-N116 PolarHBondContact ND1-ND2 3.4Å; H112-N116 VanDerWaalsContact ND1-ND2 3.14Å; H112-N116 WeakPolarHBondContact O-CB 3.43Å; H112-N116 PolarHBondContact O-N 3.18Å; H112-N116 PolarHBondContact O-ND2 3.48Å |
| 113 | I | 93.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 77.2 Ų | 77.2 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -47.2 | 177.8 | -67.1 | 163.1 | 0 | 0 | 0 | 110.1 | L94 R97 A98 D109 L110 Y111 E115 H117 F119 | L94-I113 HydrophobicContact CB-CG2 4.39Å; R97-I113 HydrophobicContact CB-CD1 3.81Å; A98-I113 HydrophobicContact CB-CG2 4.21Å; D109-I113 VanDerWaalsContact O-CG1 3.3Å; D109-I113 WeakPolarHBondContact O-CG1 3.45Å; D109-I113 PolarHBondContact O-N 3.36Å; L110-I113 PolarHBondContact O-N 3.41Å; Y111-I113 PolarHBondContact O-N 3.41Å; I113-E115 PolarHBondContact O-N 3.35Å; I113-H117 PolarHBondContact O-N 3.15Å; I113-F119 HydrophobicContact CG2-CZ 4.04Å |
| 114 | L | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.7 | -31.3 | -175.9 | -65.7 | -175.7 | 0 | 0 | 0 | 112.9 | A98 L110 Y111 F119 L127 W131 T164 I165 | A98-L114 HydrophobicContact CB-CD2 4.4Å; L110-L114 HydrophobicContact CD1-CD1 3.66Å; L110-L114 HydrophobicContact CD1-CG 4Å; L110-L114 HydrophobicContact CG-CD1 4Å; L110-L114 WeakPolarHBondContact O-CB 3.4Å; L110-L114 VanDerWaalsContact O-CG 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.27Å; L110-L114 PolarHBondContact O-N 2.88Å; Y111-L114 PolarHBondContact O-N 2.94Å; L114-F119 HydrophobicContact CD2-CE2 4.07Å; L114-F119 HydrophobicContact CD2-CZ 4.28Å; L114-L127 HydrophobicContact CD2-CB 3.96Å; L114-L127 HydrophobicContact CD2-CD1 4.03Å; L114-L127 HydrophobicContact CD2-CD2 3.91Å; L114-L127 HydrophobicContact CD2-CG 4.16Å; L114-W131 HydrophobicContact CB-CE3 4.09Å; L114-W131 HydrophobicContact CB-CZ3 4.31Å; L114-W131 HydrophobicContact CD1-CB 4.08Å; L114-W131 HydrophobicContact CD1-CE3 3.86Å; L114-T164 WeakPolarHBondContact O-CB 3.39Å; L114-T164 PolarHBondContact O-OG1 3.13Å; L114-I165 HydrophobicContact CD1-CD1 4.31Å; L114-I165 HydrophobicContact CD2-CG2 4.19Å |
| 115 | E | 94.2 | Very high | 93 | Very high | 104 Ų | 104 | 71.1 Ų | 71.1 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -81.1 | -27.2 | -179.5 | -72.6 | 178.2 | 160.3 | 0 | 0 | 113.8 | Y111 I113 W131 P162 T164 | Y111-E115 WeakPolarHBondContact O-CB 3.43Å; Y111-E115 VanDerWaalsContact O-CG 3.28Å; Y111-E115 WeakPolarHBondContact O-CG 3.43Å; Y111-E115 PolarHBondContact O-N 3.36Å; I113-E115 PolarHBondContact O-N 3.35Å; E115-W131 HydrophobicContact CG-CH2 4Å; E115-W131 HydrophobicContact CG-CZ3 3.95Å; E115-W131 WeakPolarHBondContact OE1-CH2 3.29Å; E115-P162 HydrophobicContact CG-CB 4.15Å; E115-P162 HydrophobicContact CG-CG 4.38Å; E115-T164 VanDerWaalsContact O-CG2 3.28Å; E115-T164 WeakPolarHBondContact O-CG2 3.34Å |
| 116 | N | 92.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 73.8 Ų | 73.8 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -104 | -17.1 | -169.6 | -66.3 | -52.8 | 0 | 0 | 0 | 114.7 | H112 | H112-N116 PolarHBondContact CE1-ND2 3.04Å; H112-N116 PolarHBondContact ND1-ND2 3.4Å; H112-N116 VanDerWaalsContact ND1-ND2 3.14Å; H112-N116 WeakPolarHBondContact O-CB 3.43Å; H112-N116 PolarHBondContact O-N 3.18Å; H112-N116 PolarHBondContact O-ND2 3.48Å |
| 117 | H | 91 | Very high | 93.1 | Very high | 62 Ų | 62 | 70.6 Ų | 70.6 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -117.3 | 138.8 | -177.9 | -64.2 | -90.4 | 0 | 0 | 0 | 111.5 | L94 I113 F119 T164 | L94-H117 HydrophobicContact CD1-CB 3.78Å; L94-H117 WeakPolarHBondContact CD1-ND1 3.41Å; I113-H117 PolarHBondContact O-N 3.15Å; H117-F119 HydrophobicContact CB-CE2 4.03Å; H117-F119 HydrophobicContact CB-CZ 4.18Å; H117-F119 WeakPolarHBondContact O-CD2 3.44Å; H117-F119 WeakPolarHBondContact O-CE2 3.41Å; H117-T164 WeakPolarHBondContact O-CB 3.46Å; H117-T164 VanDerWaalsContact O-CG2 3.25Å; H117-T164 WeakPolarHBondContact O-CG2 3.44Å |
| 118 | K | 89.6 | Confident | 93.1 | Very high | 183 Ų | 183 | 71.3 Ų | 71.3 | 80% | 0.796 | 35% | 0.348 | S | S | * | . | trans | -84.8 | 142.9 | 175 | -64 | -171.4 | 177.4 | -173 | 0 | 110.2 | T164 | K118-T164 HydrophobicContact CG-CG2 4.41Š| ||
| 119 | F | 91.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | trans | -121.9 | 153.3 | 179.7 | -64.4 | -91.3 | 0 | 0 | 0 | 110.9 | E91 L94 R95 I113 L114 H117 H124 L127 T164 I165 | E91-F119 HydrophobicContact CG-CD1 3.56Å; E91-F119 HydrophobicContact CG-CE1 4.17Å; E91-F119 HydrophobicContact CG-CG 4.48Å; L94-F119 HydrophobicContact CB-CE1 3.99Å; L94-F119 HydrophobicContact CB-CZ 4.16Å; R95-F119 HydrophobicContact CB-CE1 4.47Å; I113-F119 HydrophobicContact CG2-CZ 4.04Å; L114-F119 HydrophobicContact CD2-CE2 4.07Å; L114-F119 HydrophobicContact CD2-CZ 4.28Å; H117-F119 HydrophobicContact CB-CE2 4.03Å; H117-F119 HydrophobicContact CB-CZ 4.18Å; H117-F119 WeakPolarHBondContact O-CD2 3.44Å; H117-F119 WeakPolarHBondContact O-CE2 3.41Å; F119-H124 PolarHBondContact O-NE2 2.82Å; F119-L127 HydrophobicContact CB-CD1 3.71Å; F119-L127 HydrophobicContact CD1-CD1 3.31Å; F119-L127 HydrophobicContact CD2-CD1 3.56Å; F119-L127 HydrophobicContact CE1-CD1 3.74Å; F119-L127 HydrophobicContact CE2-CD1 3.95Å; F119-L127 HydrophobicContact CG-CD1 3.21Å; F119-L127 HydrophobicContact CZ-CD1 4.04Å; F119-T164 PolarHBondContact N-O 3.4Å; F119-I165 HydrophobicContact CD2-CG2 3.6Å; F119-I165 HydrophobicContact CE2-CG2 4.18Å; F119-I165 HydrophobicContact CG-CG2 4.34Å | ||
| 120 | T | 90.8 | Very high | 93.2 | Very high | 71 Ų | 71 | 61.2 Ų | 61.2 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | trans | -68.6 | 156.8 | 170.2 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | E91 D122 S123 H124 | E91-T120 VanDerWaalsContact CD-N 3.28Å; E91-T120 VanDerWaalsContact CD-OG1 3.31Å; E91-T120 PolarHBondContact OE1-N 2.93Å; E91-T120 PolarHBondContact OE1-OG1 3.1Å; E91-T120 WeakPolarHBondContact OE2-CB 3.39Å; E91-T120 WeakPolarHBondContact OE2-CG2 3.39Å; E91-T120 PolarHBondContact OE2-N 3.42Å; E91-T120 PolarHBondContact OE2-OG1 2.93Å; T120-D122 PolarHBondContact O-N 3.39Å; T120-S123 PolarHBondContact O-N 3.28Å; T120-S123 VanDerWaalsContact O-N 3.16Å; T120-H124 PolarHBondContact O-CD2 2.83Å; T120-H124 PolarHBondContact O-N 2.91Å; T120-H124 PolarHBondContact O-NE2 3.21Å | ||
| 121 | K | 89 | Confident | 93.2 | Very high | 155 Ų | 155 | 61.6 Ų | 61.6 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.1 | -29.2 | -175.7 | -169.1 | 174.3 | -179.1 | 176.3 | 0 | 113.2 | S123 H124 | K121-S123 VanDerWaalsContact C-N 3.34Å; K121-H124 WeakPolarHBondContact O-CB 3.42Å; K121-H124 PolarHBondContact O-N 2.96Å |
| 122 | D | 89.7 | Confident | 93.2 | Very high | 153 Ų | 153 | 62.3 Ų | 62.3 | 82% | 0.818 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.1 | -37.4 | 179.6 | -60 | -28.4 | 0 | 0 | 0 | 111.3 | T120 | T120-D122 PolarHBondContact O-N 3.39Å |
| 123 | S | 90.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.119 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -75.2 | -25 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | E91 T120 K121 G125 K126 L127 | E91-S123 VanDerWaalsContact OE1-CB 3.23Å; E91-S123 WeakPolarHBondContact OE1-CB 3.31Å; E91-S123 PolarHBondContact OE1-OG 2.98Å; T120-S123 PolarHBondContact O-N 3.28Å; T120-S123 VanDerWaalsContact O-N 3.16Å; K121-S123 VanDerWaalsContact C-N 3.34Å; S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 3.43Å; S123-K126 PolarHBondContact O-N 3.49Å; S123-L127 WeakPolarHBondContact O-CG 3.18Å; S123-L127 PolarHBondContact O-N 2.94Å; S123-L127 VanDerWaalsContact O-N 3.14Å |
| 124 | H | 93.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.065 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -54.3 | -44.9 | -171.2 | -76.7 | -173.1 | 0 | 0 | 0 | 113.1 | F119 T120 K121 K126 L127 Q128 D167 | F119-H124 PolarHBondContact O-NE2 2.82Å; T120-H124 PolarHBondContact O-CD2 2.83Å; T120-H124 PolarHBondContact O-N 2.91Å; T120-H124 PolarHBondContact O-NE2 3.21Å; K121-H124 WeakPolarHBondContact O-CB 3.42Å; K121-H124 PolarHBondContact O-N 2.96Å; H124-K126 VanDerWaalsContact C-N 3.31Å; H124-K126 PolarHBondContact O-N 3.49Å; H124-L127 PolarHBondContact O-N 3.45Å; H124-Q128 VanDerWaalsContact O-CB 3.29Å; H124-Q128 WeakPolarHBondContact O-CB 3.14Å; H124-Q128 WeakPolarHBondContact O-CG 3.18Å; H124-Q128 PolarHBondContact O-N 3.19Å; H124-D167 IonicContact CE1-OD1 2.74Å |
| 125 | G | 93.5 | Very high | 93.6 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S123 A129 | S123-G125 VanDerWaalsContact C-N 3.33Å; S123-G125 PolarHBondContact O-N 3.43Å; G125-A129 PolarHBondContact O-N 3.38Å |
| 126 | K | 93.3 | Very high | 93.7 | Very high | 96 Ų | 96 | 56.1 Ų | 56.1 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 178.6 | -170.9 | 171.7 | -174.5 | 173.7 | 0 | 111.7 | E62 S123 H124 A129 M130 | E62-K126 WeakPolarHBondContact OE1-CE 3.49Å; E62-K126 IonicContact OE1-NZ 3.41Å; E62-K126 PolarHBondContact OE1-NZ 3.5Å; S123-K126 PolarHBondContact O-N 3.49Å; H124-K126 VanDerWaalsContact C-N 3.31Å; H124-K126 PolarHBondContact O-N 3.49Å; K126-A129 WeakPolarHBondContact O-CB 3.43Å; K126-A129 PolarHBondContact O-N 3.47Å; K126-M130 PolarHBondContact O-N 2.91Å; K126-M130 VanDerWaalsContact O-N 3.08Å |
| 127 | L | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -39.6 | -178.8 | -59.3 | -179.9 | 0 | 0 | 0 | 112.6 | R95 L114 F119 S123 H124 A129 M130 W131 I165 | R95-L127 HydrophobicContact CG-CD2 4.19Å; L114-L127 HydrophobicContact CD2-CB 3.96Å; L114-L127 HydrophobicContact CD2-CD1 4.03Å; L114-L127 HydrophobicContact CD2-CD2 3.91Å; L114-L127 HydrophobicContact CD2-CG 4.16Å; F119-L127 HydrophobicContact CB-CD1 3.71Å; F119-L127 HydrophobicContact CD1-CD1 3.31Å; F119-L127 HydrophobicContact CD2-CD1 3.56Å; F119-L127 HydrophobicContact CE1-CD1 3.74Å; F119-L127 HydrophobicContact CE2-CD1 3.95Å; F119-L127 HydrophobicContact CG-CD1 3.21Å; F119-L127 HydrophobicContact CZ-CD1 4.04Å; S123-L127 WeakPolarHBondContact O-CG 3.18Å; S123-L127 PolarHBondContact O-N 2.94Å; S123-L127 VanDerWaalsContact O-N 3.14Å; H124-L127 PolarHBondContact O-N 3.45Å; L127-A129 VanDerWaalsContact C-N 3.31Å; L127-A129 PolarHBondContact O-N 3.04Å; L127-M130 HydrophobicContact CD2-CE 3.36Å; L127-M130 PolarHBondContact O-N 3.06Å; L127-W131 PolarHBondContact O-N 2.49Å; L127-I165 HydrophobicContact CB-CB 4.43Å; L127-I165 HydrophobicContact CB-CD1 4.33Å; L127-I165 HydrophobicContact CB-CG2 4.04Å; L127-I165 HydrophobicContact CD1-CG2 3.79Å |
| 128 | Q | 95.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.6 | -69.9 | 169.1 | 13.4 | 0 | 0 | 111.3 | H124 W131 L132 L161 I165 | H124-Q128 VanDerWaalsContact O-CB 3.29Å; H124-Q128 WeakPolarHBondContact O-CB 3.14Å; H124-Q128 WeakPolarHBondContact O-CG 3.18Å; H124-Q128 PolarHBondContact O-N 3.19Å; Q128-W131 PolarHBondContact O-N 3.21Å; Q128-L132 VanDerWaalsContact O-CG 3.3Å; Q128-L132 WeakPolarHBondContact O-CG 3.25Å; Q128-L132 PolarHBondContact O-N 2.99Å; Q128-L132 VanDerWaalsContact O-N 3.09Å; Q128-L161 HydrophobicContact CB-CD1 4.4Å; Q128-L161 HydrophobicContact CB-CD2 4.03Å; Q128-L161 HydrophobicContact CG-CD1 3.98Å; Q128-L161 HydrophobicContact CG-CD2 4.01Å; Q128-I165 HydrophobicContact CG-CD1 4.23Å; Q128-I165 HydrophobicContact CG-CG1 4.25Å; Q128-I165 WeakPolarHBondContact CG-O 3.23Å; Q128-I165 PolarHBondContact NE2-O 2.92Å |
| 129 | A | 95.6 | Very high | 94.4 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G125 K126 L127 W131 L132 E133 | G125-A129 PolarHBondContact O-N 3.38Å; K126-A129 WeakPolarHBondContact O-CB 3.43Å; K126-A129 PolarHBondContact O-N 3.47Å; L127-A129 VanDerWaalsContact C-N 3.31Å; L127-A129 PolarHBondContact O-N 3.04Å; A129-W131 PolarHBondContact O-N 2.56Å; A129-L132 PolarHBondContact O-N 3.31Å; A129-E133 VanDerWaalsContact O-CB 3.24Å; A129-E133 WeakPolarHBondContact O-CB 3.15Å; A129-E133 PolarHBondContact O-N 2.85Å |
| 130 | M | 96.2 | Very high | 94.6 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.2 | -69.8 | -169.5 | -61.5 | 0 | 0 | 112.6 | A98 V99 F102 K126 L127 L132 E133 A134 | A98-M130 HydrophobicContact CB-CE 4.15Å; V99-M130 HydrophobicContact CB-SD 4.47Å; V99-M130 HydrophobicContact CG2-CE 4.05Å; V99-M130 HydrophobicContact CG2-SD 3.9Å; F102-M130 HydrophobicContact CB-SD 3.98Å; F102-M130 HydrophobicContact CD1-CG 4.36Å; F102-M130 HydrophobicContact CD1-SD 4.43Å; F102-M130 HydrophobicContact CD2-CB 4.15Å; F102-M130 HydrophobicContact CD2-CG 4.36Å; F102-M130 HydrophobicContact CG-CB 4.38Å; F102-M130 HydrophobicContact CG-CG 4.16Å; F102-M130 HydrophobicContact CG-SD 4.18Å; K126-M130 PolarHBondContact O-N 2.91Å; K126-M130 VanDerWaalsContact O-N 3.08Å; L127-M130 HydrophobicContact CD2-CE 3.36Å; L127-M130 PolarHBondContact O-N 3.06Å; M130-L132 PolarHBondContact O-N 3.3Å; M130-E133 PolarHBondContact O-N 2.71Å; M130-A134 WeakPolarHBondContact O-CB 3.47Å; M130-A134 PolarHBondContact O-N 2.92Å |
| 131 | W | 96.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 3% | 0.03 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 176.3 | 176.2 | -85.4 | 0 | 0 | 0 | 112 | Y111 L114 E115 L127 Q128 A129 H135 F159 L161 P162 I165 | Y111-W131 HydrophobicContact CD1-CD2 4.44Å; Y111-W131 AromaticContact CD1-CE3 3.74Å; Y111-W131 HydrophobicContact CD1-CE3 3.74Å; Y111-W131 HydrophobicContact CD1-CH2 4.2Å; Y111-W131 AromaticContact CD1-CZ3 3.6Å; Y111-W131 HydrophobicContact CD1-CZ3 3.6Å; Y111-W131 HydrophobicContact CE1-CE3 4.36Å; Y111-W131 HydrophobicContact CG-CZ3 4.14Å; L114-W131 HydrophobicContact CB-CE3 4.09Å; L114-W131 HydrophobicContact CB-CZ3 4.31Å; L114-W131 HydrophobicContact CD1-CB 4.08Å; L114-W131 HydrophobicContact CD1-CE3 3.86Å; E115-W131 HydrophobicContact CG-CH2 4Å; E115-W131 HydrophobicContact CG-CZ3 3.95Å; E115-W131 WeakPolarHBondContact OE1-CH2 3.29Å; L127-W131 PolarHBondContact O-N 2.49Å; Q128-W131 PolarHBondContact O-N 3.21Å; A129-W131 PolarHBondContact O-N 2.56Å; W131-H135 AromaticContact CD1-CD2 3.97Å; W131-H135 AromaticContact CE2-CD2 3.71Å; W131-H135 AromaticContact CE2-NE2 3.53Å; W131-H135 AromaticContact CZ2-NE2 3.45Å; W131-H135 WeakPolarHBondContact CZ2-NE2 3.31Å; W131-H135 AromaticContact NE1-CD2 3.54Å; W131-H135 AromaticContact NE1-NE2 3.83Å; W131-H135 PolarHBondContact O-CD2 3.41Å; W131-H135 PolarHBondContact O-N 3.09Å; W131-F159 PolarHBondContact NE1-O 3.24Å; W131-L161 HydrophobicContact CB-CD2 4.26Å; W131-L161 HydrophobicContact CG-CD2 4.03Å; W131-P162 HydrophobicContact CD2-CG 4.31Å; W131-P162 HydrophobicContact CE3-CG 3.96Å; W131-P162 HydrophobicContact CH2-CG 4.11Å; W131-P162 HydrophobicContact CZ2-CG 4.42Å; W131-P162 HydrophobicContact CZ3-CG 3.86Å; W131-I165 HydrophobicContact CB-CD1 4.23Å |
| 132 | L | 96.8 | Very high | 94.9 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -45.2 | -178.9 | -69.6 | 177.2 | 0 | 0 | 0 | 111.6 | Q128 A129 M130 H135 Y136 R156 L161 | Q128-L132 VanDerWaalsContact O-CG 3.3Å; Q128-L132 WeakPolarHBondContact O-CG 3.25Å; Q128-L132 PolarHBondContact O-N 2.99Å; Q128-L132 VanDerWaalsContact O-N 3.09Å; A129-L132 PolarHBondContact O-N 3.31Å; M130-L132 PolarHBondContact O-N 3.3Å; L132-H135 PolarHBondContact O-N 3.4Å; L132-Y136 HydrophobicContact CB-CE2 4.06Å; L132-Y136 VanDerWaalsContact O-CD2 3.27Å; L132-Y136 WeakPolarHBondContact O-CD2 3.37Å; L132-Y136 PolarHBondContact O-N 2.95Å; L132-R156 HydrophobicContact CD2-CG 3.63Å; L132-L161 HydrophobicContact CD2-CD2 4.43Å; L132-L161 HydrophobicContact CG-CD2 4.27Å |
| 133 | E | 96.6 | Very high | 95 | Very high | 76 Ų | 76 | 55.4 Ų | 55.4 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | -178 | -166.5 | 59.6 | -151.8 | 0 | 0 | 111.4 | F102 A129 M130 H135 Y136 Q137 | F102-E133 HydrophobicContact CE2-CB 3.96Å; F102-E133 HydrophobicContact CE2-CG 4.13Å; F102-E133 HydrophobicContact CZ-CB 4.01Å; F102-E133 HydrophobicContact CZ-CG 3.77Å; A129-E133 VanDerWaalsContact O-CB 3.24Å; A129-E133 WeakPolarHBondContact O-CB 3.15Å; A129-E133 PolarHBondContact O-N 2.85Å; M130-E133 PolarHBondContact O-N 2.71Å; E133-H135 PolarHBondContact O-N 3.32Å; E133-Y136 WeakPolarHBondContact O-CB 3.46Å; E133-Y136 PolarHBondContact O-N 3.13Å; E133-Y136 VanDerWaalsContact O-N 3.09Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.31Å |
| 134 | A | 97 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.7 | -48.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F102 F107 L110 Y111 M130 Y136 Q137 E138 | F102-A134 HydrophobicContact CD2-CB 4.16Å; F102-A134 HydrophobicContact CE2-CB 4.19Å; F107-A134 HydrophobicContact CB-CB 4.45Å; F107-A134 HydrophobicContact CD1-CB 3.45Å; F107-A134 VanDerWaalsContact CD1-CB 3.45Å; F107-A134 HydrophobicContact CE1-CB 3.81Å; F107-A134 HydrophobicContact CG-CB 3.99Å; L110-A134 HydrophobicContact CD2-CB 3.65Å; Y111-A134 HydrophobicContact CE1-CB 3.92Å; Y111-A134 WeakPolarHBondContact OH-CB 3.44Å; M130-A134 WeakPolarHBondContact O-CB 3.47Å; M130-A134 PolarHBondContact O-N 2.92Å; A134-Y136 VanDerWaalsContact C-N 3.31Å; A134-Y136 PolarHBondContact O-N 3Å; A134-Q137 PolarHBondContact O-N 3.09Å; A134-E138 WeakPolarHBondContact O-CG 3.38Å; A134-E138 PolarHBondContact O-N 3.38Å |
| 135 | H | 97.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 64.5 Ų | 64.5 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.8 | -29 | 176.8 | -78.4 | -48.5 | 0 | 0 | 0 | 113.7 | Y111 W131 L132 E133 E138 A139 V155 F159 | Y111-H135 AromaticContact CE1-CE1 3.64Å; Y111-H135 AromaticContact CE1-NE2 3.66Å; Y111-H135 AromaticContact CE2-CE1 3.62Å; Y111-H135 AromaticContact CZ-CE1 3.27Å; Y111-H135 AromaticContact CZ-ND1 3.46Å; Y111-H135 AromaticContact CZ-NE2 3.8Å; Y111-H135 PolarHBondContact OH-CE1 3.43Å; Y111-H135 PolarHBondContact OH-N 2.92Å; Y111-H135 PolarHBondContact OH-ND1 3.24Å; W131-H135 AromaticContact CD1-CD2 3.97Å; W131-H135 AromaticContact CE2-CD2 3.71Å; W131-H135 AromaticContact CE2-NE2 3.53Å; W131-H135 AromaticContact CZ2-NE2 3.45Å; W131-H135 WeakPolarHBondContact CZ2-NE2 3.31Å; W131-H135 AromaticContact NE1-CD2 3.54Å; W131-H135 AromaticContact NE1-NE2 3.83Å; W131-H135 PolarHBondContact O-CD2 3.41Å; W131-H135 PolarHBondContact O-N 3.09Å; L132-H135 PolarHBondContact O-N 3.4Å; E133-H135 PolarHBondContact O-N 3.32Å; H135-E138 IonicContact ND1-OE2 3.92Å; H135-E138 PolarHBondContact ND1-OE2 3.04Å; H135-A139 VanDerWaalsContact O-CB 3.27Å; H135-A139 WeakPolarHBondContact O-CB 3.48Å; H135-A139 PolarHBondContact O-N 3.49Å; H135-A139 VanDerWaalsContact O-N 3.1Å; H135-V155 HydrophobicContact CB-CG1 3.64Å; H135-F159 HydrophobicContact CB-CD2 4.42Å; H135-F159 AromaticContact CD2-CG 3.94Å; H135-F159 AromaticContact CE1-CD1 3.78Å; H135-F159 AromaticContact CE1-CG 3.75Å; H135-F159 AromaticContact ND1-CD2 3.93Å; H135-F159 AromaticContact ND1-CG 3.99Å; H135-F159 WeakPolarHBondContact NE2-CB 3.44Å; H135-F159 AromaticContact NE2-CD1 3.94Å; H135-F159 AromaticContact NE2-CG 3.69Å |
| 136 | Y | 96.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 67.4 Ų | 67.4 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.9 | -46.9 | 171.1 | -63.8 | -28 | 0 | 0 | 0 | 110.9 | L132 E133 A134 E138 A139 E140 L147 K152 V155 R156 | L132-Y136 HydrophobicContact CB-CE2 4.06Å; L132-Y136 VanDerWaalsContact O-CD2 3.27Å; L132-Y136 WeakPolarHBondContact O-CD2 3.37Å; L132-Y136 PolarHBondContact O-N 2.95Å; E133-Y136 WeakPolarHBondContact O-CB 3.46Å; E133-Y136 PolarHBondContact O-N 3.13Å; E133-Y136 VanDerWaalsContact O-N 3.09Å; A134-Y136 VanDerWaalsContact C-N 3.31Å; A134-Y136 PolarHBondContact O-N 3Å; Y136-E138 PolarHBondContact O-N 3.02Å; Y136-A139 CarbonylContact O-C 3.5Å; Y136-A139 PolarHBondContact O-N 2.94Å; Y136-A139 VanDerWaalsContact O-N 3.13Å; Y136-E140 WeakPolarHBondContact O-CB 3.27Å; Y136-E140 VanDerWaalsContact O-CG 3.31Å; Y136-E140 WeakPolarHBondContact O-CG 3.48Å; Y136-E140 PolarHBondContact O-N 3.47Å; Y136-L147 HydrophobicContact CD1-CD2 4.14Å; Y136-K152 HydrophobicContact CD1-CB 4.37Å; Y136-K152 HydrophobicContact CD1-CG 4.1Å; Y136-K152 HydrophobicContact CD2-CD 4.37Å; Y136-K152 HydrophobicContact CE1-CB 3.75Å; Y136-K152 HydrophobicContact CE1-CD 4.47Å; Y136-K152 HydrophobicContact CE1-CG 3.94Å; Y136-K152 HydrophobicContact CE2-CD 4.18Å; Y136-K152 HydrophobicContact CG-CG 4.49Å; Y136-V155 HydrophobicContact CD1-CB 4Å; Y136-V155 HydrophobicContact CD1-CG1 3.76Å; Y136-V155 HydrophobicContact CD1-CG2 4.36Å; Y136-V155 HydrophobicContact CE1-CB 3.93Å; Y136-V155 HydrophobicContact CE1-CG1 3.88Å; Y136-R156 HydrophobicContact CE1-CG 4.41Å; Y136-R156 VanDerWaalsContact OH-CD 3.25Å; Y136-R156 WeakPolarHBondContact OH-CD 3.44Å; Y136-R156 WeakPolarHBondContact OH-CG 3.33Å; Y136-R156 PolarHBondContact OH-NE 3.23Å |
| 137 | Q | 95.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.4 | -70.6 | -177.2 | 26.7 | 0 | 0 | 112 | F107 E133 A134 A139 E140 K141 | F107-Q137 HydrophobicContact CE2-CB 4.38Å; F107-Q137 HydrophobicContact CZ-CB 4.16Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.31Å; A134-Q137 PolarHBondContact O-N 3.09Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-A139 PolarHBondContact O-N 3.48Å; Q137-E140 PolarHBondContact O-N 2.81Å; Q137-K141 VanDerWaalsContact O-CB 3.3Å; Q137-K141 WeakPolarHBondContact O-CB 3.24Å; Q137-K141 PolarHBondContact O-N 2.97Å |
| 138 | E | 95.5 | Very high | 95.2 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 173.7 | -71.5 | -170.2 | 125.8 | 0 | 0 | 111.8 | F107 Y111 A134 H135 Y136 K141 L142 | F107-E138 HydrophobicContact CD2-CG 3.48Å; F107-E138 VanDerWaalsContact CD2-CG 3.48Å; F107-E138 HydrophobicContact CE2-CG 3.92Å; F107-E138 HydrophobicContact CG-CG 4.39Å; Y111-E138 PolarHBondContact OH-OE2 3.34Å; A134-E138 WeakPolarHBondContact O-CG 3.38Å; A134-E138 PolarHBondContact O-N 3.38Å; H135-E138 IonicContact ND1-OE2 3.92Å; H135-E138 PolarHBondContact ND1-OE2 3.04Å; Y136-E138 PolarHBondContact O-N 3.02Å; E138-K141 PolarHBondContact O-N 3.35Å; E138-L142 WeakPolarHBondContact O-CB 3.41Å; E138-L142 VanDerWaalsContact O-CG 3.27Å; E138-L142 WeakPolarHBondContact O-CG 3.32Å; E138-L142 PolarHBondContact O-N 3.12Å |
| 139 | A | 95.5 | Very high | 95.2 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H135 Y136 Q137 R143 L147 V155 | H135-A139 VanDerWaalsContact O-CB 3.27Å; H135-A139 WeakPolarHBondContact O-CB 3.48Å; H135-A139 PolarHBondContact O-N 3.49Å; H135-A139 VanDerWaalsContact O-N 3.1Å; Y136-A139 CarbonylContact O-C 3.5Å; Y136-A139 PolarHBondContact O-N 2.94Å; Y136-A139 VanDerWaalsContact O-N 3.13Å; Q137-A139 VanDerWaalsContact C-N 3.33Å; Q137-A139 PolarHBondContact O-N 3.48Å; A139-R143 WeakPolarHBondContact O-CB 3.39Å; A139-R143 WeakPolarHBondContact O-CG 3.3Å; A139-R143 PolarHBondContact O-N 3.15Å; A139-R143 VanDerWaalsContact O-N 3.08Å; A139-L147 HydrophobicContact CB-CD1 4.01Å; A139-L147 HydrophobicContact CB-CD2 3.81Å; A139-V155 HydrophobicContact CB-CG2 3.79Å |
| 140 | E | 95.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 176.4 | -74.5 | -175.6 | 156.9 | 0 | 0 | 110.4 | Y136 Q137 L142 R143 G144 L147 | Y136-E140 WeakPolarHBondContact O-CB 3.27Å; Y136-E140 VanDerWaalsContact O-CG 3.31Å; Y136-E140 WeakPolarHBondContact O-CG 3.48Å; Y136-E140 PolarHBondContact O-N 3.47Å; Q137-E140 PolarHBondContact O-N 2.81Å; E140-L142 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 2.98Å; E140-R143 PolarHBondContact O-N 2.85Å; E140-R143 VanDerWaalsContact O-N 3.13Å; E140-G144 PolarHBondContact O-N 3.47Å; E140-L147 HydrophobicContact CB-CD1 4.2Å; E140-L147 HydrophobicContact CG-CB 3.75Å; E140-L147 HydrophobicContact CG-CD1 3.4Å; E140-L147 VanDerWaalsContact CG-CD1 3.4Å; E140-L147 HydrophobicContact CG-CG 4.03Å; E140-L147 WeakPolarHBondContact OE1-CB 3.35Å; E140-L147 PolarHBondContact OE1-N 2.89Å |
| 141 | K | 94 | Very high | 95 | Very high | 190 Ų | 190 | 70 Ų | 70 | 83% | 0.826 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 176.1 | -170.8 | 174.3 | -176.7 | 175.9 | 0 | 112.1 | Q137 E138 R143 | Q137-K141 VanDerWaalsContact O-CB 3.3Å; Q137-K141 WeakPolarHBondContact O-CB 3.24Å; Q137-K141 PolarHBondContact O-N 2.97Å; E138-K141 PolarHBondContact O-N 3.35Å; K141-R143 VanDerWaalsContact C-N 3.31Å; K141-R143 PolarHBondContact O-N 3.43Å |
| 142 | L | 92.7 | Very high | 95 | Very high | 156 Ų | 156 | 72.8 Ų | 72.8 | 82% | 0.817 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.9 | -29.2 | 176.4 | -74 | 171.1 | 0 | 0 | 0 | 113.3 | E138 E140 | E138-L142 WeakPolarHBondContact O-CB 3.41Å; E138-L142 VanDerWaalsContact O-CG 3.27Å; E138-L142 WeakPolarHBondContact O-CG 3.32Å; E138-L142 PolarHBondContact O-N 3.12Å; E140-L142 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 2.98Å |
| 143 | R | 92.6 | Very high | 94.8 | Very high | 156 Ų | 156 | 77.1 Ų | 77.1 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -92 | -21 | -178.3 | -68.3 | -114.1 | -176.4 | -123.1 | -2 | 113.5 | A139 E140 K141 R145 | A139-R143 WeakPolarHBondContact O-CB 3.39Å; A139-R143 WeakPolarHBondContact O-CG 3.3Å; A139-R143 PolarHBondContact O-N 3.15Å; A139-R143 VanDerWaalsContact O-N 3.08Å; E140-R143 PolarHBondContact O-N 2.85Å; E140-R143 VanDerWaalsContact O-N 3.13Å; K141-R143 VanDerWaalsContact C-N 3.31Å; K141-R143 PolarHBondContact O-N 3.43Å; R143-R145 HydrophobicContact CB-CG 4.11Å; R143-R145 PolarHBondContact O-N 3.44Å |
| 144 | G | 92.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 80.4 Ų | 80.4 | 76% | 0.763 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 19.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E140 | E140-G144 PolarHBondContact O-N 3.47Š|
| 145 | R | 94.1 | Very high | 94.7 | Very high | 147 Ų | 147 | 81.1 Ų | 81.1 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -150.1 | 153.5 | -179.6 | 69.6 | 177 | -167.2 | 167.6 | 5.4 | 110.9 | R143 D151 | R143-R145 HydrophobicContact CB-CG 4.11Å; R143-R145 PolarHBondContact O-N 3.44Å; R145-D151 IonicContact NH2-OD2 3.46Å; R145-D151 PolarHBondContact NH2-OD2 3.04Å |
| 146 | P | 92.6 | Very high | 94.5 | Very high | 111 Ų | 111 | 86.3 Ų | 86.3 | 72% | 0.721 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 145 | 177 | 25 | -34.4 | 0 | 0 | 0 | 112 | ||
| 147 | L | 94.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 92.5 Ų | 92.5 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 120.7 | -174.5 | -115.1 | 69.6 | 0 | 0 | 0 | 111.7 | Y136 A139 E140 D151 K152 V155 | Y136-L147 HydrophobicContact CD1-CD2 4.14Å; A139-L147 HydrophobicContact CB-CD1 4.01Å; A139-L147 HydrophobicContact CB-CD2 3.81Å; E140-L147 HydrophobicContact CB-CD1 4.2Å; E140-L147 HydrophobicContact CG-CB 3.75Å; E140-L147 HydrophobicContact CG-CD1 3.4Å; E140-L147 VanDerWaalsContact CG-CD1 3.4Å; E140-L147 HydrophobicContact CG-CG 4.03Å; E140-L147 WeakPolarHBondContact OE1-CB 3.35Å; E140-L147 PolarHBondContact OE1-N 2.89Å; L147-D151 HydrophobicContact CD2-CB 4.17Å; L147-D151 HydrophobicContact CG-CB 3.72Å; L147-K152 HydrophobicContact CB-CG 3.94Å; L147-K152 HydrophobicContact CD2-CG 4.16Å; L147-K152 WeakPolarHBondContact O-CE 3.24Å; L147-V155 HydrophobicContact CD2-CG2 3.74Å |
| 148 | G | 95.4 | Very high | 94.2 | Very high | 28 Ų | 28 | 96.4 Ų | 96.4 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 167.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V150 D151 K152 | G148-V150 VanDerWaalsContact C-N 3.26Å; G148-V150 PolarHBondContact O-N 3.35Å; G148-V150 VanDerWaalsContact O-N 3.14Å; G148-D151 PolarHBondContact O-N 3.47Å; G148-K152 PolarHBondContact O-N 3.46Å |
| 149 | P | 95.5 | Very high | 94.1 | Very high | 113 Ų | 113 | 96.3 Ų | 96.3 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -55 | -37.2 | -177.5 | -28.2 | 35.2 | 0 | 0 | 0 | 114.6 | Y153 | P149-Y153 PolarHBondContact O-N 3.46Å |
| 150 | V | 93.1 | Very high | 94 | Very high | 87 Ų | 87 | 99.4 Ų | 99.4 | 53% | 0.527 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -38.9 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | G148 Y153 R154 | G148-V150 VanDerWaalsContact C-N 3.26Å; G148-V150 PolarHBondContact O-N 3.35Å; G148-V150 VanDerWaalsContact O-N 3.14Å; V150-Y153 WeakPolarHBondContact O-CB 3.41Å; V150-Y153 PolarHBondContact O-N 3.09Å; V150-R154 WeakPolarHBondContact O-CG 3.11Å; V150-R154 PolarHBondContact O-N 3.47Å |
| 151 | D | 94.6 | Very high | 93.8 | Very high | 17 Ų | 17 | 98.7 Ų | 98.7 | 9% | 0.091 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 178.1 | -68.9 | -35.6 | 0 | 0 | 0 | 110.6 | R145 L147 G148 Y153 R154 V155 | R145-D151 IonicContact NH2-OD2 3.46Å; R145-D151 PolarHBondContact NH2-OD2 3.04Å; L147-D151 HydrophobicContact CD2-CB 4.17Å; L147-D151 HydrophobicContact CG-CB 3.72Å; G148-D151 PolarHBondContact O-N 3.47Å; D151-Y153 VanDerWaalsContact C-N 3.27Å; D151-Y153 PolarHBondContact O-N 2.93Å; D151-R154 WeakPolarHBondContact O-CA 3.38Å; D151-R154 WeakPolarHBondContact O-CB 3.45Å; D151-R154 PolarHBondContact O-N 3.32Å; D151-R154 IonicContact OD1-CZ 3.21Å; D151-R154 IonicContact OD1-NH1 3.71Å; D151-R154 PolarHBondContact OD1-NH1 2.66Å; D151-V155 WeakPolarHBondContact O-CG2 3.44Å; D151-V155 PolarHBondContact O-N 3.08Å |
| 152 | K | 95.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 90.6 Ų | 90.6 | 29% | 0.291 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.9 | -37.1 | 170.9 | -65.6 | -167.9 | 179.1 | -165.8 | 0 | 112.4 | Y136 L147 G148 R156 | Y136-K152 HydrophobicContact CD1-CB 4.37Å; Y136-K152 HydrophobicContact CD1-CG 4.1Å; Y136-K152 HydrophobicContact CD2-CD 4.37Å; Y136-K152 HydrophobicContact CE1-CB 3.75Å; Y136-K152 HydrophobicContact CE1-CD 4.47Å; Y136-K152 HydrophobicContact CE1-CG 3.94Å; Y136-K152 HydrophobicContact CE2-CD 4.18Å; Y136-K152 HydrophobicContact CG-CG 4.49Å; L147-K152 HydrophobicContact CB-CG 3.94Å; L147-K152 HydrophobicContact CD2-CG 4.16Å; L147-K152 WeakPolarHBondContact O-CE 3.24Å; G148-K152 PolarHBondContact O-N 3.46Å; K152-R156 WeakPolarHBondContact O-CG 3.23Å; K152-R156 PolarHBondContact O-N 3.26Å; K152-R156 VanDerWaalsContact O-N 3.12Å; K152-R156 PolarHBondContact O-NE 2.72Å |
| 153 | Y | 94 | Very high | 93.5 | Very high | 133 Ų | 133 | 93.4 Ų | 93.4 | 52% | 0.522 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 171.3 | 171.3 | -98.1 | 0 | 0 | 0 | 112.3 | P149 V150 D151 V155 R156 K157 | P149-Y153 PolarHBondContact O-N 3.46Å; V150-Y153 WeakPolarHBondContact O-CB 3.41Å; V150-Y153 PolarHBondContact O-N 3.09Å; D151-Y153 VanDerWaalsContact C-N 3.27Å; D151-Y153 PolarHBondContact O-N 2.93Å; Y153-V155 VanDerWaalsContact C-N 3.34Å; Y153-V155 PolarHBondContact O-N 3.48Å; Y153-R156 PolarHBondContact O-N 3.18Å; Y153-K157 HydrophobicContact CE1-CD 4.31Å; Y153-K157 WeakPolarHBondContact O-CB 3.41Å; Y153-K157 PolarHBondContact O-N 2.92Å |
| 154 | R | 94.9 | Very high | 93.4 | Very high | 144 Ų | 144 | 87 Ų | 87 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.2 | -70.9 | 169.9 | 177.9 | 135.5 | -0 | 111.9 | V150 D151 K157 K158 | V150-R154 WeakPolarHBondContact O-CG 3.11Å; V150-R154 PolarHBondContact O-N 3.47Å; D151-R154 WeakPolarHBondContact O-CA 3.38Å; D151-R154 WeakPolarHBondContact O-CB 3.45Å; D151-R154 PolarHBondContact O-N 3.32Å; D151-R154 IonicContact OD1-CZ 3.21Å; D151-R154 IonicContact OD1-NH1 3.71Å; D151-R154 PolarHBondContact OD1-NH1 2.66Å; R154-K157 PolarHBondContact O-N 3.44Å; R154-K158 WeakPolarHBondContact O-CB 3.41Å; R154-K158 PolarHBondContact O-N 3.19Å |
| 155 | V | 95.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 83.5 Ų | 83.5 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.5 | -53.1 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | H135 Y136 A139 L147 D151 Y153 K157 K158 F159 | H135-V155 HydrophobicContact CB-CG1 3.64Å; Y136-V155 HydrophobicContact CD1-CB 4Å; Y136-V155 HydrophobicContact CD1-CG1 3.76Å; Y136-V155 HydrophobicContact CD1-CG2 4.36Å; Y136-V155 HydrophobicContact CE1-CB 3.93Å; Y136-V155 HydrophobicContact CE1-CG1 3.88Å; A139-V155 HydrophobicContact CB-CG2 3.79Å; L147-V155 HydrophobicContact CD2-CG2 3.74Å; D151-V155 WeakPolarHBondContact O-CG2 3.44Å; D151-V155 PolarHBondContact O-N 3.08Å; Y153-V155 VanDerWaalsContact C-N 3.34Å; Y153-V155 PolarHBondContact O-N 3.48Å; V155-K157 PolarHBondContact O-N 3.32Å; V155-K157 VanDerWaalsContact O-N 3.15Å; V155-K158 PolarHBondContact O-N 2.84Å; V155-F159 HydrophobicContact CG1-CD2 4.12Å; V155-F159 PolarHBondContact O-N 3.14Å |
| 156 | R | 94.7 | Very high | 92.9 | Very high | 117 Ų | 117 | 81.1 Ų | 81.1 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.2 | -34.5 | 176.6 | -76.9 | -179.9 | -73.3 | 179.4 | -1.4 | 113.9 | L132 Y136 K152 Y153 F159 | L132-R156 HydrophobicContact CD2-CG 3.63Å; Y136-R156 HydrophobicContact CE1-CG 4.41Å; Y136-R156 VanDerWaalsContact OH-CD 3.25Å; Y136-R156 WeakPolarHBondContact OH-CD 3.44Å; Y136-R156 WeakPolarHBondContact OH-CG 3.33Å; Y136-R156 PolarHBondContact OH-NE 3.23Å; K152-R156 WeakPolarHBondContact O-CG 3.23Å; K152-R156 PolarHBondContact O-N 3.26Å; K152-R156 VanDerWaalsContact O-N 3.12Å; K152-R156 PolarHBondContact O-NE 2.72Å; Y153-R156 PolarHBondContact O-N 3.18Å; R156-F159 CarbonylContact O-C 3.48Å |
| 157 | K | 91.9 | Very high | 92.1 | Very high | 150 Ų | 150 | 81.4 Ų | 81.4 | 65% | 0.652 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -75.8 | -34.9 | 177.7 | -172.2 | 174.6 | -178.9 | 178.9 | 0 | 112.6 | Y153 R154 V155 | Y153-K157 HydrophobicContact CE1-CD 4.31Å; Y153-K157 WeakPolarHBondContact O-CB 3.41Å; Y153-K157 PolarHBondContact O-N 2.92Å; R154-K157 PolarHBondContact O-N 3.44Å; V155-K157 PolarHBondContact O-N 3.32Å; V155-K157 VanDerWaalsContact O-N 3.15Å |
| 158 | K | 93.7 | Very high | 90.9 | Very high | 155 Ų | 155 | 82 Ų | 82 | 67% | 0.674 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -75.3 | -37.4 | 178.5 | -173.2 | 177.7 | 175.3 | -169.1 | 0 | 111.5 | R154 V155 P160 | R154-K158 WeakPolarHBondContact O-CB 3.41Å; R154-K158 PolarHBondContact O-N 3.19Å; V155-K158 PolarHBondContact O-N 2.84Å; K158-P160 WeakPolarHBondContact O-CD 3.46Å |
| 159 | F | 93.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 88.1 Ų | 88.1 | 30% | 0.303 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -123.7 | 77.9 | -177.5 | -53.4 | -72 | 0 | 0 | 0 | 109.6 | W131 H135 V155 R156 | W131-F159 PolarHBondContact NE1-O 3.24Å; H135-F159 HydrophobicContact CB-CD2 4.42Å; H135-F159 AromaticContact CD2-CG 3.94Å; H135-F159 AromaticContact CE1-CD1 3.78Å; H135-F159 AromaticContact CE1-CG 3.75Å; H135-F159 AromaticContact ND1-CD2 3.93Å; H135-F159 AromaticContact ND1-CG 3.99Å; H135-F159 WeakPolarHBondContact NE2-CB 3.44Å; H135-F159 AromaticContact NE2-CD1 3.94Å; H135-F159 AromaticContact NE2-CG 3.69Å; V155-F159 HydrophobicContact CG1-CD2 4.12Å; V155-F159 PolarHBondContact O-N 3.14Å; R156-F159 CarbonylContact O-C 3.48Å |
| 160 | P | 92.4 | Very high | 87.8 | Confident | 87 Ų | 87 | 90.7 Ų | 90.7 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -64 | 155.9 | 176.5 | 29.7 | -35.2 | 0 | 0 | 0 | 110.7 | K158 | K158-P160 WeakPolarHBondContact O-CD 3.46Š|
| 161 | L | 92 | Very high | 86.2 | Confident | 41 Ų | 41 | 94.2 Ų | 94.2 | 22% | 0.215 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 134.4 | 176.2 | -67.4 | 168.6 | 0 | 0 | 0 | 110.5 | Q128 W131 L132 I165 W166 | Q128-L161 HydrophobicContact CB-CD1 4.4Å; Q128-L161 HydrophobicContact CB-CD2 4.03Å; Q128-L161 HydrophobicContact CG-CD1 3.98Å; Q128-L161 HydrophobicContact CG-CD2 4.01Å; W131-L161 HydrophobicContact CB-CD2 4.26Å; W131-L161 HydrophobicContact CG-CD2 4.03Å; L132-L161 HydrophobicContact CD2-CD2 4.43Å; L132-L161 HydrophobicContact CG-CD2 4.27Å; L161-I165 HydrophobicContact CD2-CD1 4.33Å; L161-W166 HydrophobicContact CB-CB 3.93Å; L161-W166 HydrophobicContact CB-CG 4.19Å; L161-W166 HydrophobicContact CD1-CD2 3.96Å; L161-W166 HydrophobicContact CD1-CE3 3.43Å; L161-W166 VanDerWaalsContact CD1-CE3 3.43Å; L161-W166 HydrophobicContact CD1-CG 4.44Å; L161-W166 HydrophobicContact CD1-CZ3 3.95Å |
| 162 | P | 92.1 | Very high | 84.8 | Confident | 19 Ų | 19 | 98.2 Ų | 98.2 | 12% | 0.123 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -71 | 149.4 | 177.9 | 26.6 | -29.7 | 0 | 0 | 0 | 111.3 | E115 W131 T164 I165 W166 | E115-P162 HydrophobicContact CG-CB 4.15Å; E115-P162 HydrophobicContact CG-CG 4.38Å; W131-P162 HydrophobicContact CD2-CG 4.31Å; W131-P162 HydrophobicContact CE3-CG 3.96Å; W131-P162 HydrophobicContact CH2-CG 4.11Å; W131-P162 HydrophobicContact CZ2-CG 4.42Å; W131-P162 HydrophobicContact CZ3-CG 3.86Å; P162-T164 WeakPolarHBondContact CB-OG1 3.41Å; P162-T164 PolarHBondContact O-N 2.76Å; P162-T164 VanDerWaalsContact O-N 3.09Å; P162-I165 HydrophobicContact CG-CD1 3.95Å; P162-I165 HydrophobicContact CG-CG1 3.89Å; P162-I165 PolarHBondContact O-N 3.09Å; P162-I165 VanDerWaalsContact O-N 3.13Å; P162-W166 WeakPolarHBondContact O-CB 3.25Å; P162-W166 PolarHBondContact O-N 2.67Å |
| 163 | R | 88.3 | Confident | 83.3 | Confident | 216 Ų | 216 | 103.3 Ų | 103.3 | 82% | 0.815 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15.2 | -174.8 | -70.7 | -175 | 176.2 | -96.9 | 2.5 | 114.4 | W166 | R163-W166 CarbonylContact C-O 3.58Å; R163-W166 WeakPolarHBondContact CA-O 3.36Å; R163-W166 VanDerWaalsContact O-O 3.08Å |
| 164 | T | 89.5 | Confident | 82.4 | Confident | 21 Ų | 21 | 100.5 Ų | 100.5 | 13% | 0.129 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -28.1 | 175.8 | 36.4 | 0 | 0 | 0 | 0 | 113.8 | L114 E115 H117 K118 F119 P162 | L114-T164 WeakPolarHBondContact O-CB 3.39Å; L114-T164 PolarHBondContact O-OG1 3.13Å; E115-T164 VanDerWaalsContact O-CG2 3.28Å; E115-T164 WeakPolarHBondContact O-CG2 3.34Å; H117-T164 WeakPolarHBondContact O-CB 3.46Å; H117-T164 VanDerWaalsContact O-CG2 3.25Å; H117-T164 WeakPolarHBondContact O-CG2 3.44Å; K118-T164 HydrophobicContact CG-CG2 4.41Å; F119-T164 PolarHBondContact N-O 3.4Å; P162-T164 WeakPolarHBondContact CB-OG1 3.41Å; P162-T164 PolarHBondContact O-N 2.76Å; P162-T164 VanDerWaalsContact O-N 3.09Å |
| 165 | I | 89.1 | Confident | 81.9 | Confident | 0 Ų | 0 | 96.2 Ų | 96.2 | 0% | 0 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -121.3 | 12.4 | 178.4 | 67.7 | 178.9 | 0 | 0 | 0 | 112.1 | L114 F119 L127 Q128 W131 L161 P162 | L114-I165 HydrophobicContact CD1-CD1 4.31Å; L114-I165 HydrophobicContact CD2-CG2 4.19Å; F119-I165 HydrophobicContact CD2-CG2 3.6Å; F119-I165 HydrophobicContact CE2-CG2 4.18Å; F119-I165 HydrophobicContact CG-CG2 4.34Å; L127-I165 HydrophobicContact CB-CB 4.43Å; L127-I165 HydrophobicContact CB-CD1 4.33Å; L127-I165 HydrophobicContact CB-CG2 4.04Å; L127-I165 HydrophobicContact CD1-CG2 3.79Å; Q128-I165 HydrophobicContact CG-CD1 4.23Å; Q128-I165 HydrophobicContact CG-CG1 4.25Å; Q128-I165 WeakPolarHBondContact CG-O 3.23Å; Q128-I165 PolarHBondContact NE2-O 2.92Å; W131-I165 HydrophobicContact CB-CD1 4.23Å; L161-I165 HydrophobicContact CD2-CD1 4.33Å; P162-I165 HydrophobicContact CG-CD1 3.95Å; P162-I165 HydrophobicContact CG-CG1 3.89Å; P162-I165 PolarHBondContact O-N 3.09Å; P162-I165 VanDerWaalsContact O-N 3.13Å |
| 166 | W | 87.6 | Confident | 81.4 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 37% | 0.367 | 49% | 0.492 | S | S | . | . | trans | -150.2 | 123.6 | -177 | -177.9 | -96.7 | 0 | 0 | 0 | 110.9 | L161 P162 R163 G168 | L161-W166 HydrophobicContact CB-CB 3.93Å; L161-W166 HydrophobicContact CB-CG 4.19Å; L161-W166 HydrophobicContact CD1-CD2 3.96Å; L161-W166 HydrophobicContact CD1-CE3 3.43Å; L161-W166 VanDerWaalsContact CD1-CE3 3.43Å; L161-W166 HydrophobicContact CD1-CG 4.44Å; L161-W166 HydrophobicContact CD1-CZ3 3.95Å; P162-W166 WeakPolarHBondContact O-CB 3.25Å; P162-W166 PolarHBondContact O-N 2.67Å; R163-W166 CarbonylContact C-O 3.58Å; R163-W166 WeakPolarHBondContact CA-O 3.36Å; R163-W166 VanDerWaalsContact O-O 3.08Å; W166-G168 PolarHBondContact O-N 3.16Å | ||
| 167 | D | 76.8 | Confident | 81 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | trans | -67.6 | -1.9 | -176.3 | -62.3 | -26.3 | 0 | 0 | 0 | 114.3 | H124 E169 | H124-D167 IonicContact CE1-OD1 2.74Å; D167-E169 VanDerWaalsContact C-N 3.28Å; D167-E169 PolarHBondContact O-N 3.22Å | ||
| 168 | G | 68.6 | Low | 80.9 | Confident | 28 Ų | 28 | 106.9 Ų | 106.9 | 29% | 0.289 | 50% | 0.504 | S | S | . | . | trans | 79.8 | 7.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | W166 Q170 | W166-G168 PolarHBondContact O-N 3.16Å; G168-Q170 VanDerWaalsContact C-N 3.29Å; G168-Q170 PolarHBondContact O-N 3.35Å | ||
| 169 | E | 66.3 | Low | 80.8 | Confident | 155 Ų | 155 | 100.6 Ų | 100.6 | 72% | 0.724 | 48% | 0.479 | S | S | * | . | trans | -69.2 | 88.6 | 177.9 | -149.5 | -171.8 | -152.7 | 0 | 0 | 109.9 | D167 K171 | D167-E169 VanDerWaalsContact C-N 3.28Å; D167-E169 PolarHBondContact O-N 3.22Å; E169-K171 PolarHBondContact O-N 3.38Å | ||
| 170 | Q | 60.1 | Low | 80.7 | Confident | 167 Ų | 167 | 100.6 Ų | 100.6 | 78% | 0.78 | 48% | 0.477 | S | S | * | . | trans | -83.2 | 104.5 | -175.2 | -162.4 | 172.7 | 10.8 | 0 | 0 | 108.9 | G168 T172 | G168-Q170 VanDerWaalsContact C-N 3.29Å; G168-Q170 PolarHBondContact O-N 3.35Å; Q170-T172 VanDerWaalsContact C-N 3.35Å; Q170-T172 PolarHBondContact O-N 2.75Å | ||
| 171 | K | 59.2 | Low | 80.7 | Confident | 161 Ų | 161 | 98 Ų | 98 | 70% | 0.7 | 47% | 0.465 | S | S | * | . | trans | -64.2 | 99.2 | 165.3 | -76 | 179.5 | 179 | 168 | 0 | 108.2 | E169 H173 | E169-K171 PolarHBondContact O-N 3.38Å; K171-H173 PolarHBondContact O-CD2 2.95Å; K171-H173 PolarHBondContact O-N 3.04Å | ||
| 172 | T | 64.2 | Low | 80.7 | Confident | 102 Ų | 102 | 98.9 Ų | 98.9 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | trans | -66.1 | 101.2 | 171.5 | -75.3 | 0 | 0 | 0 | 0 | 107.7 | Q170 C174 | Q170-T172 VanDerWaalsContact C-N 3.35Å; Q170-T172 PolarHBondContact O-N 2.75Å; T172-C174 HydrophobicContact CG2-CB 3.65Å; T172-C174 PolarHBondContact O-N 2.82Å | ||
| 173 | H | 64.5 | Low | 80.9 | Confident | 174 Ų | 174 | 98 Ų | 98 | 81% | 0.806 | 46% | 0.464 | S | S | * | . | trans | -74.9 | 7.4 | 174.4 | -68.1 | -73.9 | 0 | 0 | 0 | 113 | K171 | K171-H173 PolarHBondContact O-CD2 2.95Å; K171-H173 PolarHBondContact O-N 3.04Å | ||
| 174 | C | 75.6 | Confident | 81.1 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -81.2 | 140.5 | 167.6 | -69.6 | 0 | 0 | 0 | 0 | 109.4 | T172 | T172-C174 HydrophobicContact CG2-CB 3.65Å; T172-C174 PolarHBondContact O-N 2.82Å |
| 175 | F | 83.9 | Confident | 81.4 | Confident | 53 Ų | 53 | 95.9 Ų | 95.9 | 23% | 0.232 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 158.6 | 170.6 | -51.4 | -47.2 | 0 | 0 | 0 | 111.2 | T179 R180 L183 L207 Q211 W215 | F175-T179 HydrophobicContact CB-CG2 3.88Å; F175-T179 HydrophobicContact CD2-CG2 4.45Å; F175-T179 HydrophobicContact CG-CG2 4.26Å; F175-R180 HydrophobicContact CB-CG 4Å; F175-R180 WeakPolarHBondContact O-CD 3.29Å; F175-R180 WeakPolarHBondContact O-CG 3.5Å; F175-L183 HydrophobicContact CD2-CD1 3.92Å; F175-L183 HydrophobicContact CE2-CD1 4.15Å; F175-L207 HydrophobicContact CD1-CD1 4.14Å; F175-L207 HydrophobicContact CD1-CD2 3.57Å; F175-L207 HydrophobicContact CD2-CD1 3.76Å; F175-L207 HydrophobicContact CE1-CD1 4Å; F175-L207 HydrophobicContact CE1-CD2 3.58Å; F175-L207 HydrophobicContact CE1-CG 4.44Å; F175-L207 HydrophobicContact CE2-CD1 3.59Å; F175-L207 HydrophobicContact CG-CD1 4.04Å; F175-L207 HydrophobicContact CG-CD2 4.15Å; F175-L207 HydrophobicContact CZ-CD1 3.73Å; F175-L207 HydrophobicContact CZ-CD2 4.16Å; F175-Q211 HydrophobicContact CZ-CB 4.04Å; F175-Q211 HydrophobicContact CZ-CG 4.47Å; F175-W215 AromaticContact CD2-CD1 3.96Å; F175-W215 HydrophobicContact CE2-CB 4.26Å; F175-W215 AromaticContact CE2-CD1 3.68Å; F175-W215 HydrophobicContact CE2-CG 4.26Å |
| 176 | K | 84.9 | Confident | 81.6 | Confident | 175 Ų | 175 | 99.9 Ų | 99.9 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 150.3 | 173.8 | -67.3 | -179.1 | 177.2 | 177.4 | 0 | 110.4 | R178 T179 R180 | K176-R178 VanDerWaalsContact C-N 3.28Å; K176-R178 PolarHBondContact O-N 3.17Å; K176-T179 WeakPolarHBondContact O-CB 3.49Å; K176-T179 PolarHBondContact O-N 2.91Å; K176-R180 WeakPolarHBondContact O-CG 3.1Å; K176-R180 PolarHBondContact O-N 3Å |
| 177 | E | 87.8 | Confident | 82 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | -174.2 | -168.4 | 56.9 | -151.8 | 0 | 0 | 112.5 | T179 R180 G181 R184 | E177-T179 PolarHBondContact O-N 2.88Å; E177-R180 PolarHBondContact O-N 2.99Å; E177-R180 WeakPolarHBondContact OE2-CD 3.47Å; E177-R180 IonicContact OE2-CZ 3.82Å; E177-R180 IonicContact OE2-NE 2.66Å; E177-R180 PolarHBondContact OE2-NE 3.14Å; E177-G181 PolarHBondContact O-N 2.95Å; E177-R184 IonicContact OE1-CZ 2.82Å; E177-R184 IonicContact OE1-NH1 2.71Å; E177-R184 PolarHBondContact OE1-NH1 3.22Å; E177-R184 IonicContact OE1-NH2 3.3Å; E177-R184 PolarHBondContact OE1-NH2 3.38Å; E177-R184 IonicContact OE2-NH2 3.49Å |
| 178 | R | 89.6 | Confident | 82.8 | Confident | 223 Ų | 223 | 97.1 Ų | 97.1 | 84% | 0.842 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -53.9 | -51.4 | 171.3 | -178.5 | -177 | -76.5 | 127.5 | -3.8 | 112 | K176 R180 G181 L182 | K176-R178 VanDerWaalsContact C-N 3.28Å; K176-R178 PolarHBondContact O-N 3.17Å; R178-R180 VanDerWaalsContact C-N 3.34Å; R178-R180 PolarHBondContact O-N 3.35Å; R178-G181 PolarHBondContact O-N 2.99Å; R178-L182 PolarHBondContact O-N 3.35Å; R178-L182 VanDerWaalsContact O-N 3.14Å |
| 179 | T | 91.3 | Very high | 84 | Confident | 23 Ų | 23 | 102.5 Ų | 102.5 | 14% | 0.141 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.6 | -41 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | F175 K176 E177 L182 L183 T205 L207 | F175-T179 HydrophobicContact CB-CG2 3.88Å; F175-T179 HydrophobicContact CD2-CG2 4.45Å; F175-T179 HydrophobicContact CG-CG2 4.26Å; K176-T179 WeakPolarHBondContact O-CB 3.49Å; K176-T179 PolarHBondContact O-N 2.91Å; E177-T179 PolarHBondContact O-N 2.88Å; T179-L182 PolarHBondContact O-N 2.88Å; T179-L183 HydrophobicContact CG2-CD1 4.21Å; T179-L183 WeakPolarHBondContact O-CG 3.43Å; T179-L183 PolarHBondContact O-N 3.49Å; T179-L183 VanDerWaalsContact O-N 3.15Å; T179-T205 HydrophobicContact CG2-CG2 4.01Å; T179-L207 HydrophobicContact CG2-CD1 3.64Å; T179-L207 HydrophobicContact CG2-CD2 4.33Å; T179-L207 HydrophobicContact CG2-CG 3.94Å |
| 180 | R | 91.1 | Very high | 85.2 | Confident | 70 Ų | 70 | 97 Ų | 97 | 26% | 0.264 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 177.1 | -68.9 | 163.9 | 53.7 | 105.1 | -8 | 111.8 | F175 K176 E177 R178 L183 R184 | F175-R180 HydrophobicContact CB-CG 4Å; F175-R180 WeakPolarHBondContact O-CD 3.29Å; F175-R180 WeakPolarHBondContact O-CG 3.5Å; K176-R180 WeakPolarHBondContact O-CG 3.1Å; K176-R180 PolarHBondContact O-N 3Å; E177-R180 PolarHBondContact O-N 2.99Å; E177-R180 WeakPolarHBondContact OE2-CD 3.47Å; E177-R180 IonicContact OE2-CZ 3.82Å; E177-R180 IonicContact OE2-NE 2.66Å; E177-R180 PolarHBondContact OE2-NE 3.14Å; R178-R180 VanDerWaalsContact C-N 3.34Å; R178-R180 PolarHBondContact O-N 3.35Å; R180-L183 PolarHBondContact O-N 3.34Å; R180-R184 VanDerWaalsContact NH2-NH2 3.18Å; R180-R184 WeakPolarHBondContact O-CG 3.47Å; R180-R184 PolarHBondContact O-N 3.32Å |
| 181 | G | 92.1 | Very high | 86.8 | Confident | 31 Ų | 31 | 91.1 Ų | 91.1 | 32% | 0.32 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.1 | -50.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E177 R178 L183 R184 E185 | E177-G181 PolarHBondContact O-N 2.95Å; R178-G181 PolarHBondContact O-N 2.99Å; G181-L183 PolarHBondContact O-N 2.89Å; G181-R184 PolarHBondContact O-N 3.03Å; G181-R184 VanDerWaalsContact O-N 3.11Å; G181-E185 PolarHBondContact O-N 3.04Å |
| 182 | L | 93.2 | Very high | 88.5 | Confident | 60 Ų | 60 | 90.9 Ų | 90.9 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.2 | -43 | 179.8 | -164.7 | 148.7 | 0 | 0 | 0 | 112.3 | R178 T179 R184 E185 W186 L201 T205 | R178-L182 PolarHBondContact O-N 3.35Å; R178-L182 VanDerWaalsContact O-N 3.14Å; T179-L182 PolarHBondContact O-N 2.88Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 3.47Å; L182-E185 PolarHBondContact O-N 3.08Å; L182-W186 PolarHBondContact O-N 3.32Å; L182-W186 VanDerWaalsContact O-N 3.14Å; L182-L201 HydrophobicContact CD2-CD2 3.92Å; L182-T205 HydrophobicContact CB-CG2 4.48Å; L182-T205 HydrophobicContact CD2-CG2 3.67Å |
| 183 | L | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 176.2 | -69 | 169.4 | 0 | 0 | 0 | 112.8 | F175 T179 R180 G181 Y187 T205 L207 V212 W215 F216 | F175-L183 HydrophobicContact CD2-CD1 3.92Å; F175-L183 HydrophobicContact CE2-CD1 4.15Å; T179-L183 HydrophobicContact CG2-CD1 4.21Å; T179-L183 WeakPolarHBondContact O-CG 3.43Å; T179-L183 PolarHBondContact O-N 3.49Å; T179-L183 VanDerWaalsContact O-N 3.15Å; R180-L183 PolarHBondContact O-N 3.34Å; G181-L183 PolarHBondContact O-N 2.89Å; L183-Y187 VanDerWaalsContact O-CB 3.31Å; L183-Y187 WeakPolarHBondContact O-CB 3.39Å; L183-Y187 PolarHBondContact O-N 3.3Å; L183-T205 HydrophobicContact CD2-CG2 4.14Å; L183-T205 HydrophobicContact CG-CG2 4.17Å; L183-L207 HydrophobicContact CD1-CD1 3.97Å; L183-V212 HydrophobicContact CD2-CG1 4.11Å; L183-V212 HydrophobicContact CD2-CG2 4.48Å; L183-W215 HydrophobicContact CB-CD2 4Å; L183-W215 HydrophobicContact CB-CE3 4Å; L183-W215 HydrophobicContact CB-CH2 3.8Å; L183-W215 HydrophobicContact CB-CZ2 3.76Å; L183-W215 HydrophobicContact CB-CZ3 3.92Å; L183-W215 HydrophobicContact CD1-CB 4.49Å; L183-W215 HydrophobicContact CD1-CD2 3.93Å; L183-W215 HydrophobicContact CD1-CG 3.87Å; L183-W215 HydrophobicContact CG-CD2 4.45Å; L183-W215 WeakPolarHBondContact O-CH2 3.2Å; L183-W215 WeakPolarHBondContact O-CZ3 3.45Å; L183-F216 HydrophobicContact CD2-CE2 3.89Å |
| 184 | R | 94.1 | Very high | 91.3 | Very high | 86 Ų | 86 | 81.7 Ų | 81.7 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 176.6 | -73.4 | -177.9 | -155.5 | 126.4 | 1 | 111.8 | E177 R180 G181 L182 Y187 L188 W215 | E177-R184 IonicContact OE1-CZ 2.82Å; E177-R184 IonicContact OE1-NH1 2.71Å; E177-R184 PolarHBondContact OE1-NH1 3.22Å; E177-R184 IonicContact OE1-NH2 3.3Å; E177-R184 PolarHBondContact OE1-NH2 3.38Å; E177-R184 IonicContact OE2-NH2 3.49Å; R180-R184 VanDerWaalsContact NH2-NH2 3.18Å; R180-R184 WeakPolarHBondContact O-CG 3.47Å; R180-R184 PolarHBondContact O-N 3.32Å; G181-R184 PolarHBondContact O-N 3.03Å; G181-R184 VanDerWaalsContact O-N 3.11Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 3.47Å; R184-Y187 WeakPolarHBondContact O-CB 3.42Å; R184-Y187 PolarHBondContact O-N 3.02Å; R184-L188 PolarHBondContact O-N 3.38Å; R184-W215 HydrophobicContact CG-CH2 4.18Å; R184-W215 HydrophobicContact CG-CZ2 4.01Å |
| 185 | E | 95.1 | Very high | 92.1 | Very high | 107 Ų | 107 | 82.9 Ų | 82.9 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59 | -52 | 178.1 | -174.2 | 55.9 | -138 | 0 | 0 | 110.6 | G181 L182 Y187 L188 | G181-E185 PolarHBondContact O-N 3.04Å; L182-E185 PolarHBondContact O-N 3.08Å; E185-Y187 VanDerWaalsContact C-N 3.25Å; E185-Y187 PolarHBondContact O-N 2.79Å; E185-L188 WeakPolarHBondContact O-CB 3.27Å; E185-L188 PolarHBondContact O-N 3.13Å; E185-L188 VanDerWaalsContact O-N 3.12Å |
| 186 | W | 92.9 | Very high | 92.6 | Very high | 84 Ų | 84 | 84 Ų | 84 | 32% | 0.318 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | 176.8 | -89 | 95.9 | 0 | 0 | 0 | 113.9 | L182 L188 Q189 D190 L201 F216 | L182-W186 PolarHBondContact O-N 3.32Å; L182-W186 VanDerWaalsContact O-N 3.14Å; W186-L188 VanDerWaalsContact C-N 3.3Å; W186-L188 PolarHBondContact O-N 3.08Å; W186-Q189 PolarHBondContact O-N 3.06Å; W186-D190 PolarHBondContact O-N 3.31Å; W186-L201 HydrophobicContact CB-CD2 4.07Å; W186-L201 VanDerWaalsContact CD1-CD2 3.44Å; W186-L201 HydrophobicContact CD2-CD2 3.7Å; W186-L201 HydrophobicContact CG-CD2 3.47Å; W186-L201 VanDerWaalsContact CG-CD2 3.47Å; W186-F216 HydrophobicContact CB-CZ 4.35Å |
| 187 | Y | 95.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 79 Ų | 79 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -33 | 177.5 | -176.9 | -97.4 | 0 | 0 | 0 | 113.1 | L183 R184 E185 Q189 P191 W215 F216 R219 R220 D223 | L183-Y187 VanDerWaalsContact O-CB 3.31Å; L183-Y187 WeakPolarHBondContact O-CB 3.39Å; L183-Y187 PolarHBondContact O-N 3.3Å; R184-Y187 WeakPolarHBondContact O-CB 3.42Å; R184-Y187 PolarHBondContact O-N 3.02Å; E185-Y187 VanDerWaalsContact C-N 3.25Å; E185-Y187 PolarHBondContact O-N 2.79Å; Y187-Q189 VanDerWaalsContact C-N 3.28Å; Y187-P191 HydrophobicContact CD2-CB 4.23Å; Y187-P191 HydrophobicContact CE2-CB 3.78Å; Y187-P191 WeakPolarHBondContact O-CG 3.45Å; Y187-W215 HydrophobicContact CD2-CZ3 4.14Å; Y187-W215 HydrophobicContact CG-CH2 4.49Å; Y187-W215 HydrophobicContact CG-CZ3 4.26Å; Y187-F216 AromaticContact CD2-CD1 3.68Å; Y187-F216 HydrophobicContact CD2-CD1 3.68Å; Y187-F216 AromaticContact CD2-CE1 3.83Å; Y187-F216 HydrophobicContact CD2-CE1 3.83Å; Y187-F216 HydrophobicContact CE2-CD1 4.36Å; Y187-F216 HydrophobicContact CG-CE1 4.49Å; Y187-R219 HydrophobicContact CD1-CG 4.05Å; Y187-R219 HydrophobicContact CD2-CB 4.42Å; Y187-R219 HydrophobicContact CD2-CG 3.94Å; Y187-R219 HydrophobicContact CE1-CG 3.74Å; Y187-R219 HydrophobicContact CE2-CB 4.07Å; Y187-R219 HydrophobicContact CE2-CG 3.65Å; Y187-R219 HydrophobicContact CG-CG 4.12Å; Y187-R220 HydrophobicContact CE2-CG 3.75Å; Y187-R220 WeakPolarHBondContact OH-CG 3.38Å; Y187-D223 VanDerWaalsContact CE1-OD2 3.27Å; Y187-D223 WeakPolarHBondContact CE1-OD2 3.46Å; Y187-D223 VanDerWaalsContact CZ-OD2 3.3Å; Y187-D223 PolarHBondContact OH-OD2 3.14Å |
| 188 | L | 94.2 | Very high | 93.2 | Very high | 132 Ų | 132 | 77 Ų | 77 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.2 | -33.3 | 175.5 | -66 | 174.5 | 0 | 0 | 0 | 111.5 | R184 E185 W186 | R184-L188 PolarHBondContact O-N 3.38Å; E185-L188 WeakPolarHBondContact O-CB 3.27Å; E185-L188 PolarHBondContact O-N 3.13Å; E185-L188 VanDerWaalsContact O-N 3.12Å; W186-L188 VanDerWaalsContact C-N 3.3Å; W186-L188 PolarHBondContact O-N 3.08Å |
| 189 | Q | 93.9 | Very high | 93.5 | Very high | 141 Ų | 141 | 73 Ų | 73 | 66% | 0.659 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -77.9 | -49.6 | 178.7 | -55.9 | -60.2 | -23.2 | 0 | 0 | 112.2 | W186 Y187 | W186-Q189 PolarHBondContact O-N 3.06Å; Y187-Q189 VanDerWaalsContact C-N 3.28Å |
| 190 | D | 91.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 76.8 Ų | 76.8 | 21% | 0.209 | 37% | 0.372 | C | S | . | . | trans | -144.6 | 96.3 | -175.8 | -175.1 | -3.8 | 0 | 0 | 0 | 111 | W186 Y192 K197 F216 | W186-D190 PolarHBondContact O-N 3.31Å; D190-Y192 PolarHBondContact O-N 3.09Å; D190-Y192 PolarHBondContact OD1-N 3.39Å; D190-K197 IonicContact OD2-NZ 3.61Å; D190-K197 PolarHBondContact OD2-NZ 3.01Å; D190-F216 WeakPolarHBondContact O-CE1 3.27Å | ||
| 191 | P | 93.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 73.5 Ų | 73.5 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -66.4 | -13.4 | 177.4 | -21.9 | 32.2 | 0 | 0 | 0 | 114.5 | Y187 P193 R220 | Y187-P191 HydrophobicContact CD2-CB 4.23Å; Y187-P191 HydrophobicContact CE2-CB 3.78Å; Y187-P191 WeakPolarHBondContact O-CG 3.45Å; P191-P193 VanDerWaalsContact C-CD 3.49Å; P191-R220 PolarHBondContact O-NH1 3.23Å |
| 192 | Y | 95.3 | Very high | 94 | Very high | 156 Ų | 156 | 72.3 Ų | 72.3 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -128.6 | 63.7 | -175.2 | -65.7 | -88.7 | 0 | 0 | 0 | 111.8 | D190 N194 R220 | D190-Y192 PolarHBondContact O-N 3.09Å; D190-Y192 PolarHBondContact OD1-N 3.39Å; Y192-N194 PolarHBondContact O-N 3.06Å; Y192-R220 VanDerWaalsContact CE1-CD 3.41Å |
| 193 | P | 92.3 | Very high | 94 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 5% | 0.045 | 37% | 0.365 | C | S | . | . | trans | -64.1 | 138.3 | -176.6 | 27 | -35.2 | 0 | 0 | 0 | 111.7 | P191 K197 K198 L201 F216 | P191-P193 VanDerWaalsContact C-CD 3.49Å; P193-K197 HydrophobicContact CB-CB 4.05Å; P193-K198 HydrophobicContact CB-CG 4.21Å; P193-K198 HydrophobicContact CG-CG 4.02Å; P193-K198 WeakPolarHBondContact O-CE 3.47Å; P193-L201 HydrophobicContact CB-CD1 4.49Å; P193-F216 HydrophobicContact CG-CD1 3.78Å; P193-F216 HydrophobicContact CG-CD2 4.29Å; P193-F216 HydrophobicContact CG-CE1 3.8Å; P193-F216 HydrophobicContact CG-CE2 4.32Å; P193-F216 HydrophobicContact CG-CG 4.05Å; P193-F216 HydrophobicContact CG-CZ 4.09Å | ||
| 194 | N | 93.9 | Very high | 94 | Very high | 76 Ų | 76 | 79.7 Ų | 79.7 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | trans | -68.9 | 166.1 | 174.8 | 72.1 | 37.3 | 0 | 0 | 0 | 111.7 | Y192 S196 K197 K198 | Y192-N194 PolarHBondContact O-N 3.06Å; N194-S196 PolarHBondContact O-N 3.45Å; N194-S196 WeakPolarHBondContact OD1-CB 3.38Å; N194-S196 PolarHBondContact OD1-N 3.19Å; N194-S196 VanDerWaalsContact OD1-N 3.09Å; N194-K197 PolarHBondContact O-N 2.59Å; N194-K197 WeakPolarHBondContact OD1-CG 3.43Å; N194-K197 PolarHBondContact OD1-N 3.17Å; N194-K198 WeakPolarHBondContact O-CG 3.43Å; N194-K198 PolarHBondContact O-N 2.84Å | ||
| 195 | P | 93.8 | Very high | 93.9 | Very high | 98 Ų | 98 | 76.3 Ų | 76.3 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.7 | -33.3 | -177.8 | -27.5 | 36.2 | 0 | 0 | 0 | 114.9 | R199 | P195-R199 PolarHBondContact O-N 2.92Å |
| 196 | S | 93.8 | Very high | 93.8 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 53% | 0.531 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.9 | -51.1 | 178.1 | -162.9 | 0 | 0 | 0 | 0 | 111.2 | N194 K198 R199 E200 | N194-S196 PolarHBondContact O-N 3.45Å; N194-S196 WeakPolarHBondContact OD1-CB 3.38Å; N194-S196 PolarHBondContact OD1-N 3.19Å; N194-S196 VanDerWaalsContact OD1-N 3.09Å; S196-K198 VanDerWaalsContact C-N 3.25Å; S196-K198 PolarHBondContact O-N 2.72Å; S196-R199 WeakPolarHBondContact O-CA 3.44Å; S196-R199 WeakPolarHBondContact O-CB 3.37Å; S196-R199 PolarHBondContact O-N 3.21Å; S196-E200 PolarHBondContact O-N 2.74Å |
| 197 | K | 92.1 | Very high | 93.8 | Very high | 71 Ų | 71 | 71.8 Ų | 71.8 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.5 | -36.3 | 175.3 | -69.9 | -175.3 | -174.7 | -176.4 | 0 | 112.1 | D190 P193 N194 R199 E200 L201 | D190-K197 IonicContact OD2-NZ 3.61Å; D190-K197 PolarHBondContact OD2-NZ 3.01Å; P193-K197 HydrophobicContact CB-CB 4.05Å; N194-K197 PolarHBondContact O-N 2.59Å; N194-K197 WeakPolarHBondContact OD1-CG 3.43Å; N194-K197 PolarHBondContact OD1-N 3.17Å; K197-R199 VanDerWaalsContact C-N 3.3Å; K197-R199 PolarHBondContact O-N 2.94Å; K197-E200 PolarHBondContact O-N 2.88Å; K197-L201 WeakPolarHBondContact O-CB 3.42Å; K197-L201 VanDerWaalsContact O-CG 3.27Å; K197-L201 WeakPolarHBondContact O-CG 3.38Å; K197-L201 PolarHBondContact O-N 3.25Å |
| 198 | K | 94.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.2 | -36.8 | 173.7 | -75.1 | 175.9 | -178.1 | 162.4 | 0 | 112.6 | P193 N194 S196 A202 | P193-K198 HydrophobicContact CB-CG 4.21Å; P193-K198 HydrophobicContact CG-CG 4.02Å; P193-K198 WeakPolarHBondContact O-CE 3.47Å; N194-K198 WeakPolarHBondContact O-CG 3.43Å; N194-K198 PolarHBondContact O-N 2.84Å; S196-K198 VanDerWaalsContact C-N 3.25Å; S196-K198 PolarHBondContact O-N 2.72Å; K198-A202 VanDerWaalsContact O-CB 3.29Å; K198-A202 WeakPolarHBondContact O-CB 3.42Å; K198-A202 PolarHBondContact O-N 3.36Å |
| 199 | R | 95.1 | Very high | 93.7 | Very high | 139 Ų | 139 | 70.7 Ų | 70.7 | 53% | 0.525 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.3 | -40.7 | 177.4 | -167.7 | -177.8 | -64.2 | 111.8 | -4.5 | 111.2 | P195 S196 K197 A202 Q203 | P195-R199 PolarHBondContact O-N 2.92Å; S196-R199 WeakPolarHBondContact O-CA 3.44Å; S196-R199 WeakPolarHBondContact O-CB 3.37Å; S196-R199 PolarHBondContact O-N 3.21Å; K197-R199 VanDerWaalsContact C-N 3.3Å; K197-R199 PolarHBondContact O-N 2.94Å; R199-A202 WeakPolarHBondContact O-CB 3.36Å; R199-A202 PolarHBondContact O-N 3.49Å; R199-Q203 WeakPolarHBondContact O-CG 3.43Å; R199-Q203 PolarHBondContact O-N 2.88Å |
| 200 | E | 95.1 | Very high | 93.7 | Very high | 102 Ų | 102 | 68.6 Ų | 68.6 | 48% | 0.477 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 173.1 | -173.6 | -173.5 | 168.9 | 0 | 0 | 111.4 | S196 K197 A202 Q203 A204 | S196-E200 PolarHBondContact O-N 2.74Å; K197-E200 PolarHBondContact O-N 2.88Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 3.49Å; E200-Q203 WeakPolarHBondContact O-CB 3.33Å; E200-Q203 PolarHBondContact O-N 3.43Å; E200-A204 WeakPolarHBondContact O-CB 3.5Å; E200-A204 PolarHBondContact O-N 3.05Å |
| 201 | L | 93.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 174.8 | -73.9 | 172.4 | 0 | 0 | 0 | 112.4 | L182 W186 P193 K197 Q203 A204 T205 V212 F216 | L182-L201 HydrophobicContact CD2-CD2 3.92Å; W186-L201 HydrophobicContact CB-CD2 4.07Å; W186-L201 VanDerWaalsContact CD1-CD2 3.44Å; W186-L201 HydrophobicContact CD2-CD2 3.7Å; W186-L201 HydrophobicContact CG-CD2 3.47Å; W186-L201 VanDerWaalsContact CG-CD2 3.47Å; P193-L201 HydrophobicContact CB-CD1 4.49Å; K197-L201 WeakPolarHBondContact O-CB 3.42Å; K197-L201 VanDerWaalsContact O-CG 3.27Å; K197-L201 WeakPolarHBondContact O-CG 3.38Å; K197-L201 PolarHBondContact O-N 3.25Å; L201-Q203 VanDerWaalsContact C-N 3.35Å; L201-A204 PolarHBondContact O-N 3.29Å; L201-T205 VanDerWaalsContact O-CB 3.28Å; L201-T205 WeakPolarHBondContact O-CB 3.47Å; L201-T205 VanDerWaalsContact O-CG2 3.3Å; L201-T205 WeakPolarHBondContact O-CG2 3.5Å; L201-T205 PolarHBondContact O-N 3.48Å; L201-T205 PolarHBondContact O-OG1 3.11Å; L201-V212 HydrophobicContact CB-CG1 3.95Å; L201-V212 HydrophobicContact CD1-CG1 4.17Å; L201-F216 HydrophobicContact CD1-CE2 3.88Å; L201-F216 HydrophobicContact CD1-CZ 3.9Å |
| 202 | A | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | K198 R199 E200 T205 G206 L207 P209 V212 | K198-A202 VanDerWaalsContact O-CB 3.29Å; K198-A202 WeakPolarHBondContact O-CB 3.42Å; K198-A202 PolarHBondContact O-N 3.36Å; R199-A202 WeakPolarHBondContact O-CB 3.36Å; R199-A202 PolarHBondContact O-N 3.49Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 3.49Å; A202-T205 PolarHBondContact O-N 3.35Å; A202-T205 PolarHBondContact O-OG1 2.92Å; A202-G206 PolarHBondContact O-N 3.26Å; A202-L207 CarbonylContact C-O 3.5Å; A202-L207 WeakPolarHBondContact CA-O 3.42Å; A202-L207 WeakPolarHBondContact CB-O 3.31Å; A202-L207 PolarHBondContact O-N 3.12Å; A202-L207 VanDerWaalsContact O-N 3.09Å; A202-P209 HydrophobicContact CB-CB 4.38Å; A202-P209 HydrophobicContact CB-CG 3.85Å; A202-V212 HydrophobicContact CB-CG2 4.16Å |
| 203 | Q | 94.6 | Very high | 93.8 | Very high | 149 Ų | 149 | 61.7 Ų | 61.7 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.9 | -47.8 | 175 | -70.2 | 171.8 | -5.5 | 0 | 0 | 111.9 | R199 E200 L201 T205 G206 | R199-Q203 WeakPolarHBondContact O-CG 3.43Å; R199-Q203 PolarHBondContact O-N 2.88Å; E200-Q203 WeakPolarHBondContact O-CB 3.33Å; E200-Q203 PolarHBondContact O-N 3.43Å; L201-Q203 VanDerWaalsContact C-N 3.35Å; Q203-T205 VanDerWaalsContact C-N 3.3Å; Q203-T205 PolarHBondContact O-N 3.06Å; Q203-G206 PolarHBondContact O-N 3.45Å |
| 204 | A | 92.9 | Very high | 94 | Very high | 66 Ų | 66 | 65.3 Ų | 65.3 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -28.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E200 L201 | E200-A204 WeakPolarHBondContact O-CB 3.5Å; E200-A204 PolarHBondContact O-N 3.05Å; L201-A204 PolarHBondContact O-N 3.29Å |
| 205 | T | 91.9 | Very high | 94 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -97 | -12.3 | -177.5 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | T179 L182 L183 L201 A202 Q203 L207 | T179-T205 HydrophobicContact CG2-CG2 4.01Å; L182-T205 HydrophobicContact CB-CG2 4.48Å; L182-T205 HydrophobicContact CD2-CG2 3.67Å; L183-T205 HydrophobicContact CD2-CG2 4.14Å; L183-T205 HydrophobicContact CG-CG2 4.17Å; L201-T205 VanDerWaalsContact O-CB 3.28Å; L201-T205 WeakPolarHBondContact O-CB 3.47Å; L201-T205 VanDerWaalsContact O-CG2 3.3Å; L201-T205 WeakPolarHBondContact O-CG2 3.5Å; L201-T205 PolarHBondContact O-N 3.48Å; L201-T205 PolarHBondContact O-OG1 3.11Å; A202-T205 PolarHBondContact O-N 3.35Å; A202-T205 PolarHBondContact O-OG1 2.92Å; Q203-T205 VanDerWaalsContact C-N 3.3Å; Q203-T205 PolarHBondContact O-N 3.06Å; T205-L207 PolarHBondContact O-N 3.23Å; T205-L207 WeakPolarHBondContact OG1-CB 2.9Å; T205-L207 WeakPolarHBondContact OG1-CG 3.46Å |
| 206 | G | 92.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 59 Ų | 59 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 25.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A202 Q203 | A202-G206 PolarHBondContact O-N 3.26Å; Q203-G206 PolarHBondContact O-N 3.45Å |
| 207 | L | 93.2 | Very high | 94.2 | Very high | 27 Ų | 27 | 60.6 Ų | 60.6 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | trans | -105.7 | 165.5 | 177.7 | -62.3 | -178.7 | 0 | 0 | 0 | 110.7 | F175 T179 L183 A202 T205 Q211 V212 | F175-L207 HydrophobicContact CD1-CD1 4.14Å; F175-L207 HydrophobicContact CD1-CD2 3.57Å; F175-L207 HydrophobicContact CD2-CD1 3.76Å; F175-L207 HydrophobicContact CE1-CD1 4Å; F175-L207 HydrophobicContact CE1-CD2 3.58Å; F175-L207 HydrophobicContact CE1-CG 4.44Å; F175-L207 HydrophobicContact CE2-CD1 3.59Å; F175-L207 HydrophobicContact CG-CD1 4.04Å; F175-L207 HydrophobicContact CG-CD2 4.15Å; F175-L207 HydrophobicContact CZ-CD1 3.73Å; F175-L207 HydrophobicContact CZ-CD2 4.16Å; T179-L207 HydrophobicContact CG2-CD1 3.64Å; T179-L207 HydrophobicContact CG2-CD2 4.33Å; T179-L207 HydrophobicContact CG2-CG 3.94Å; L183-L207 HydrophobicContact CD1-CD1 3.97Å; A202-L207 CarbonylContact C-O 3.5Å; A202-L207 WeakPolarHBondContact CA-O 3.42Å; A202-L207 WeakPolarHBondContact CB-O 3.31Å; A202-L207 PolarHBondContact O-N 3.12Å; A202-L207 VanDerWaalsContact O-N 3.09Å; T205-L207 PolarHBondContact O-N 3.23Å; T205-L207 WeakPolarHBondContact OG1-CB 2.9Å; T205-L207 WeakPolarHBondContact OG1-CG 3.46Å; L207-Q211 HydrophobicContact CB-CB 4.23Å; L207-V212 HydrophobicContact CB-CG2 3.95Å; L207-V212 HydrophobicContact CD1-CG2 4.24Å | ||
| 208 | T | 93.8 | Very high | 94.3 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | trans | -77.7 | 149.7 | 169.6 | 70.5 | 0 | 0 | 0 | 0 | 111 | T210 Q211 V212 | T208-T210 PolarHBondContact O-N 3.47Å; T208-T210 VanDerWaalsContact O-N 3.09Å; T208-Q211 WeakPolarHBondContact O-CB 3.37Å; T208-Q211 PolarHBondContact O-N 3.11Å; T208-Q211 VanDerWaalsContact OG1-CG 3.29Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.29Å; T208-Q211 PolarHBondContact OG1-N 3.02Å; T208-Q211 PolarHBondContact OG1-OE1 2.97Å; T208-V212 PolarHBondContact O-N 2.81Å; T208-V212 VanDerWaalsContact O-N 3.08Å | ||
| 209 | P | 94 | Very high | 94.4 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53.3 | -32.9 | 175.3 | -27.6 | 35.1 | 0 | 0 | 0 | 113.3 | A202 G213 | A202-P209 HydrophobicContact CB-CB 4.38Å; A202-P209 HydrophobicContact CB-CG 3.85Å; P209-G213 PolarHBondContact O-N 3.32Å |
| 210 | T | 94.7 | Very high | 94.5 | Very high | 97 Ų | 97 | 57.5 Ų | 57.5 | 60% | 0.595 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.3 | -43.8 | 174.9 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | T208 G213 N214 | T208-T210 PolarHBondContact O-N 3.47Å; T208-T210 VanDerWaalsContact O-N 3.09Å; T210-G213 PolarHBondContact O-N 3.19Å; T210-N214 WeakPolarHBondContact O-CB 3.42Å; T210-N214 VanDerWaalsContact O-CG 3.3Å; T210-N214 PolarHBondContact O-N 3.47Å; T210-N214 PolarHBondContact O-ND2 3.26Å |
| 211 | Q | 93.7 | Very high | 94.5 | Very high | 78 Ų | 78 | 56.8 Ų | 56.8 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 176.2 | -77.8 | 170.2 | -28.1 | 0 | 0 | 111.6 | F175 L207 T208 N214 W215 | F175-Q211 HydrophobicContact CZ-CB 4.04Å; F175-Q211 HydrophobicContact CZ-CG 4.47Å; L207-Q211 HydrophobicContact CB-CB 4.23Å; T208-Q211 WeakPolarHBondContact O-CB 3.37Å; T208-Q211 PolarHBondContact O-N 3.11Å; T208-Q211 VanDerWaalsContact OG1-CG 3.29Å; T208-Q211 WeakPolarHBondContact OG1-CG 3.29Å; T208-Q211 PolarHBondContact OG1-N 3.02Å; T208-Q211 PolarHBondContact OG1-OE1 2.97Å; Q211-N214 PolarHBondContact O-N 2.95Å; Q211-W215 WeakPolarHBondContact O-CB 3.37Å; Q211-W215 PolarHBondContact O-N 3.46Å |
| 212 | V | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | L183 L201 A202 L207 T208 N214 W215 F216 | L183-V212 HydrophobicContact CD2-CG1 4.11Å; L183-V212 HydrophobicContact CD2-CG2 4.48Å; L201-V212 HydrophobicContact CB-CG1 3.95Å; L201-V212 HydrophobicContact CD1-CG1 4.17Å; A202-V212 HydrophobicContact CB-CG2 4.16Å; L207-V212 HydrophobicContact CB-CG2 3.95Å; L207-V212 HydrophobicContact CD1-CG2 4.24Å; T208-V212 PolarHBondContact O-N 2.81Å; T208-V212 VanDerWaalsContact O-N 3.08Å; V212-N214 VanDerWaalsContact C-N 3.31Å; V212-N214 PolarHBondContact O-N 3.43Å; V212-W215 WeakPolarHBondContact O-CB 3.45Å; V212-W215 PolarHBondContact O-N 3Å; V212-W215 VanDerWaalsContact O-N 3.11Å; V212-F216 HydrophobicContact CG1-CD2 3.9Å; V212-F216 HydrophobicContact CG1-CE2 3.85Å; V212-F216 WeakPolarHBondContact O-CD2 3.27Å; V212-F216 PolarHBondContact O-N 3.19Å |
| 213 | G | 94.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P209 T210 K217 | P209-G213 PolarHBondContact O-N 3.32Å; T210-G213 PolarHBondContact O-N 3.19Å; G213-K217 WeakPolarHBondContact O-CB 3.4Å; G213-K217 PolarHBondContact O-N 2.86Å |
| 214 | N | 94.8 | Very high | 94.5 | Very high | 82 Ų | 82 | 66.7 Ų | 66.7 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.7 | -76.2 | -23.4 | 0 | 0 | 0 | 112.3 | T210 Q211 V212 K217 N218 | T210-N214 WeakPolarHBondContact O-CB 3.42Å; T210-N214 VanDerWaalsContact O-CG 3.3Å; T210-N214 PolarHBondContact O-N 3.47Å; T210-N214 PolarHBondContact O-ND2 3.26Å; Q211-N214 PolarHBondContact O-N 2.95Å; V212-N214 VanDerWaalsContact C-N 3.31Å; V212-N214 PolarHBondContact O-N 3.43Å; N214-K217 PolarHBondContact O-N 2.91Å; N214-N218 VanDerWaalsContact O-CB 3.27Å; N214-N218 WeakPolarHBondContact O-CB 3.29Å; N214-N218 PolarHBondContact O-N 2.91Å; N214-N218 PolarHBondContact O-ND2 3.04Å |
| 215 | W | 94.9 | Very high | 94.4 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 177 | -173.7 | 98.3 | 0 | 0 | 0 | 111.5 | F175 L183 R184 Y187 Q211 V212 K217 N218 R219 | F175-W215 AromaticContact CD2-CD1 3.96Å; F175-W215 HydrophobicContact CE2-CB 4.26Å; F175-W215 AromaticContact CE2-CD1 3.68Å; F175-W215 HydrophobicContact CE2-CG 4.26Å; L183-W215 HydrophobicContact CB-CD2 4Å; L183-W215 HydrophobicContact CB-CE3 4Å; L183-W215 HydrophobicContact CB-CH2 3.8Å; L183-W215 HydrophobicContact CB-CZ2 3.76Å; L183-W215 HydrophobicContact CB-CZ3 3.92Å; L183-W215 HydrophobicContact CD1-CB 4.49Å; L183-W215 HydrophobicContact CD1-CD2 3.93Å; L183-W215 HydrophobicContact CD1-CG 3.87Å; L183-W215 HydrophobicContact CG-CD2 4.45Å; L183-W215 WeakPolarHBondContact O-CH2 3.2Å; L183-W215 WeakPolarHBondContact O-CZ3 3.45Å; R184-W215 HydrophobicContact CG-CH2 4.18Å; R184-W215 HydrophobicContact CG-CZ2 4.01Å; Y187-W215 HydrophobicContact CD2-CZ3 4.14Å; Y187-W215 HydrophobicContact CG-CH2 4.49Å; Y187-W215 HydrophobicContact CG-CZ3 4.26Å; Q211-W215 WeakPolarHBondContact O-CB 3.37Å; Q211-W215 PolarHBondContact O-N 3.46Å; V212-W215 WeakPolarHBondContact O-CB 3.45Å; V212-W215 PolarHBondContact O-N 3Å; V212-W215 VanDerWaalsContact O-N 3.11Å; W215-K217 PolarHBondContact O-N 3.32Å; W215-N218 PolarHBondContact O-N 3.08Å; W215-R219 HydrophobicContact CE3-CB 4.36Å; W215-R219 HydrophobicContact CH2-CB 4.4Å; W215-R219 HydrophobicContact CH2-CG 4.19Å; W215-R219 HydrophobicContact CZ3-CB 4.16Å; W215-R219 HydrophobicContact CZ3-CG 4.28Å; W215-R219 WeakPolarHBondContact O-CB 3.19Å; W215-R219 PolarHBondContact O-N 3.23Å |
| 216 | F | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 178.6 | -85.5 | -99.8 | 0 | 0 | 0 | 111.6 | L183 W186 Y187 D190 P193 L201 V212 N218 R219 R220 | L183-F216 HydrophobicContact CD2-CE2 3.89Å; W186-F216 HydrophobicContact CB-CZ 4.35Å; Y187-F216 AromaticContact CD2-CD1 3.68Å; Y187-F216 HydrophobicContact CD2-CD1 3.68Å; Y187-F216 AromaticContact CD2-CE1 3.83Å; Y187-F216 HydrophobicContact CD2-CE1 3.83Å; Y187-F216 HydrophobicContact CE2-CD1 4.36Å; Y187-F216 HydrophobicContact CG-CE1 4.49Å; D190-F216 WeakPolarHBondContact O-CE1 3.27Å; P193-F216 HydrophobicContact CG-CD1 3.78Å; P193-F216 HydrophobicContact CG-CD2 4.29Å; P193-F216 HydrophobicContact CG-CE1 3.8Å; P193-F216 HydrophobicContact CG-CE2 4.32Å; P193-F216 HydrophobicContact CG-CG 4.05Å; P193-F216 HydrophobicContact CG-CZ 4.09Å; L201-F216 HydrophobicContact CD1-CE2 3.88Å; L201-F216 HydrophobicContact CD1-CZ 3.9Å; V212-F216 HydrophobicContact CG1-CD2 3.9Å; V212-F216 HydrophobicContact CG1-CE2 3.85Å; V212-F216 WeakPolarHBondContact O-CD2 3.27Å; V212-F216 PolarHBondContact O-N 3.19Å; F216-N218 PolarHBondContact O-N 3.32Å; F216-R219 PolarHBondContact O-N 3.42Å; F216-R220 WeakPolarHBondContact O-CG 3.44Å; F216-R220 PolarHBondContact O-N 2.96Å |
| 217 | K | 95.2 | Very high | 94.4 | Very high | 110 Ų | 110 | 67 Ų | 67 | 48% | 0.478 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.7 | -49.9 | 174.4 | -179.9 | -178.3 | 175.6 | -179 | 0 | 111.4 | G213 N214 W215 R219 R220 Q221 | G213-K217 WeakPolarHBondContact O-CB 3.4Å; G213-K217 PolarHBondContact O-N 2.86Å; N214-K217 PolarHBondContact O-N 2.91Å; W215-K217 PolarHBondContact O-N 3.32Å; K217-R219 VanDerWaalsContact C-N 3.35Å; K217-R219 PolarHBondContact O-N 3.4Å; K217-R220 PolarHBondContact O-N 3.43Å; K217-Q221 WeakPolarHBondContact O-CG 3.3Å; K217-Q221 PolarHBondContact O-N 3.25Å; K217-Q221 VanDerWaalsContact O-N 3.09Å |
| 218 | N | 94.8 | Very high | 94.3 | Very high | 85 Ų | 85 | 68.2 Ų | 68.2 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -37.1 | -179.3 | -72 | -14.7 | 0 | 0 | 0 | 111.9 | N214 W215 F216 Q221 R222 | N214-N218 VanDerWaalsContact O-CB 3.27Å; N214-N218 WeakPolarHBondContact O-CB 3.29Å; N214-N218 PolarHBondContact O-N 2.91Å; N214-N218 PolarHBondContact O-ND2 3.04Å; W215-N218 PolarHBondContact O-N 3.08Å; F216-N218 PolarHBondContact O-N 3.32Å; N218-Q221 PolarHBondContact O-N 3.07Å; N218-R222 WeakPolarHBondContact O-CG 3.38Å; N218-R222 PolarHBondContact O-N 3.38Å |
| 219 | R | 95.2 | Very high | 94.1 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 29% | 0.291 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -50.6 | 176.2 | -176.7 | 59.2 | 177.2 | 179.7 | -1.9 | 111.3 | Y187 W215 F216 K217 Q221 R222 D223 | Y187-R219 HydrophobicContact CD1-CG 4.05Å; Y187-R219 HydrophobicContact CD2-CB 4.42Å; Y187-R219 HydrophobicContact CD2-CG 3.94Å; Y187-R219 HydrophobicContact CE1-CG 3.74Å; Y187-R219 HydrophobicContact CE2-CB 4.07Å; Y187-R219 HydrophobicContact CE2-CG 3.65Å; Y187-R219 HydrophobicContact CG-CG 4.12Å; W215-R219 HydrophobicContact CE3-CB 4.36Å; W215-R219 HydrophobicContact CH2-CB 4.4Å; W215-R219 HydrophobicContact CH2-CG 4.19Å; W215-R219 HydrophobicContact CZ3-CB 4.16Å; W215-R219 HydrophobicContact CZ3-CG 4.28Å; W215-R219 WeakPolarHBondContact O-CB 3.19Å; W215-R219 PolarHBondContact O-N 3.23Å; F216-R219 PolarHBondContact O-N 3.42Å; K217-R219 VanDerWaalsContact C-N 3.35Å; K217-R219 PolarHBondContact O-N 3.4Å; R219-Q221 VanDerWaalsContact C-N 3.29Å; R219-Q221 PolarHBondContact O-N 3.14Å; R219-R222 WeakPolarHBondContact O-CB 3.28Å; R219-R222 PolarHBondContact O-N 3.15Å; R219-R222 VanDerWaalsContact O-N 3.08Å; R219-D223 IonicContact CZ-OD1 2.85Å; R219-D223 IonicContact NE-OD1 2.94Å; R219-D223 IonicContact NE-OD2 3.89Å; R219-D223 PolarHBondContact O-N 3.45Å |
| 220 | R | 97 | Very high | 93.7 | Very high | 49 Ų | 49 | 72.1 Ų | 72.1 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.1 | -37 | 176.6 | -66.1 | -166.2 | -57.7 | -87.1 | 1 | 113 | Y187 P191 Y192 F216 K217 D223 R224 | Y187-R220 HydrophobicContact CE2-CG 3.75Å; Y187-R220 WeakPolarHBondContact OH-CG 3.38Å; P191-R220 PolarHBondContact O-NH1 3.23Å; Y192-R220 VanDerWaalsContact CE1-CD 3.41Å; F216-R220 WeakPolarHBondContact O-CG 3.44Å; F216-R220 PolarHBondContact O-N 2.96Å; K217-R220 PolarHBondContact O-N 3.43Å; R220-D223 PolarHBondContact O-N 3.44Å; R220-R224 WeakPolarHBondContact O-CG 3.35Å; R220-R224 PolarHBondContact O-N 3.21Å; R220-R224 VanDerWaalsContact O-N 3.08Å |
| 221 | Q | 95.4 | Very high | 93.3 | Very high | 87 Ų | 87 | 76.1 Ų | 76.1 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.7 | -76.1 | 178.8 | -8.6 | 0 | 0 | 112 | K217 N218 R219 R224 A225 | K217-Q221 WeakPolarHBondContact O-CG 3.3Å; K217-Q221 PolarHBondContact O-N 3.25Å; K217-Q221 VanDerWaalsContact O-N 3.09Å; N218-Q221 PolarHBondContact O-N 3.07Å; R219-Q221 VanDerWaalsContact C-N 3.29Å; R219-Q221 PolarHBondContact O-N 3.14Å; Q221-R224 PolarHBondContact O-N 3.28Å; Q221-A225 WeakPolarHBondContact O-CB 3.46Å; Q221-A225 PolarHBondContact O-N 2.97Å |
| 222 | R | 94.3 | Very high | 92.5 | Very high | 169 Ų | 169 | 78.6 Ų | 78.6 | 64% | 0.638 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 176.9 | -71.4 | 174.2 | 66.5 | -166.9 | 1 | 112 | N218 R219 A225 A226 | N218-R222 WeakPolarHBondContact O-CG 3.38Å; N218-R222 PolarHBondContact O-N 3.38Å; R219-R222 WeakPolarHBondContact O-CB 3.28Å; R219-R222 PolarHBondContact O-N 3.15Å; R219-R222 VanDerWaalsContact O-N 3.08Å; R222-A225 PolarHBondContact O-N 3.09Å; R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.85Å |
| 223 | D | 93.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 83.6 Ų | 83.6 | 30% | 0.299 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 179.9 | -64 | -6.4 | 0 | 0 | 0 | 111.3 | Y187 R219 R220 A226 A227 | Y187-D223 VanDerWaalsContact CE1-OD2 3.27Å; Y187-D223 WeakPolarHBondContact CE1-OD2 3.46Å; Y187-D223 VanDerWaalsContact CZ-OD2 3.3Å; Y187-D223 PolarHBondContact OH-OD2 3.14Å; R219-D223 IonicContact CZ-OD1 2.85Å; R219-D223 IonicContact NE-OD1 2.94Å; R219-D223 IonicContact NE-OD2 3.89Å; R219-D223 PolarHBondContact O-N 3.45Å; R220-D223 PolarHBondContact O-N 3.44Å; D223-A226 PolarHBondContact O-N 3.47Å; D223-A227 WeakPolarHBondContact O-CB 3.39Å; D223-A227 PolarHBondContact O-N 3.37Å |
| 224 | R | 95.6 | Very high | 90.1 | Very high | 139 Ų | 139 | 89.3 Ų | 89.3 | 53% | 0.525 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 173.3 | -72.4 | -165.3 | -58.9 | -85.9 | 4.4 | 112.7 | R220 Q221 A226 A227 A228 | R220-R224 WeakPolarHBondContact O-CG 3.35Å; R220-R224 PolarHBondContact O-N 3.21Å; R220-R224 VanDerWaalsContact O-N 3.08Å; Q221-R224 PolarHBondContact O-N 3.28Å; R224-A226 VanDerWaalsContact C-N 3.34Å; R224-A227 PolarHBondContact O-N 3.43Å; R224-A228 WeakPolarHBondContact O-CB 3.46Å; R224-A228 PolarHBondContact O-N 2.88Å |
| 225 | A | 92.2 | Very high | 88.5 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q221 R222 A228 K229 | Q221-A225 WeakPolarHBondContact O-CB 3.46Å; Q221-A225 PolarHBondContact O-N 2.97Å; R222-A225 PolarHBondContact O-N 3.09Å; A225-A228 PolarHBondContact O-N 2.96Å; A225-K229 PolarHBondContact O-N 3.43Å |
| 226 | A | 92.1 | Very high | 86.5 | Confident | 48 Ų | 48 | 93.6 Ų | 93.6 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R222 D223 R224 A228 K229 N230 | R222-A226 WeakPolarHBondContact O-CB 3.45Å; R222-A226 PolarHBondContact O-N 2.85Å; D223-A226 PolarHBondContact O-N 3.47Å; R224-A226 VanDerWaalsContact C-N 3.34Å; A226-A228 PolarHBondContact O-N 2.61Å; A226-K229 PolarHBondContact O-N 2.9Å; A226-N230 PolarHBondContact O-N 3.43Å; A226-N230 PolarHBondContact O-ND2 3.27Å |
| 227 | A | 92.1 | Very high | 84.5 | Confident | 46 Ų | 46 | 100.5 Ų | 100.5 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D223 R224 N230 R231 | D223-A227 WeakPolarHBondContact O-CB 3.39Å; D223-A227 PolarHBondContact O-N 3.37Å; R224-A227 PolarHBondContact O-N 3.43Å; A227-N230 PolarHBondContact O-N 3.38Å; A227-R231 WeakPolarHBondContact O-CG 3.48Å; A227-R231 PolarHBondContact O-N 2.97Å; A227-R231 VanDerWaalsContact O-N 3.09Å |
| 228 | A | 90.4 | Very high | 82.2 | Confident | 52 Ų | 52 | 98.2 Ų | 98.2 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R224 A225 A226 N230 R231 L232 | R224-A228 WeakPolarHBondContact O-CB 3.46Å; R224-A228 PolarHBondContact O-N 2.88Å; A225-A228 PolarHBondContact O-N 2.96Å; A226-A228 PolarHBondContact O-N 2.61Å; A228-N230 PolarHBondContact O-N 3.39Å; A228-R231 PolarHBondContact O-N 3.5Å; A228-L232 PolarHBondContact O-N 3.09Å |
| 229 | K | 89.9 | Confident | 79.9 | Confident | 134 Ų | 134 | 103.1 Ų | 103.1 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 176.3 | -174.6 | 179.7 | 177.4 | -176.8 | 0 | 112.1 | A225 A226 R231 L232 Q233 | A225-K229 PolarHBondContact O-N 3.43Å; A226-K229 PolarHBondContact O-N 2.9Å; K229-R231 VanDerWaalsContact C-N 3.35Å; K229-R231 PolarHBondContact O-N 3.36Å; K229-L232 PolarHBondContact O-N 2.86Å; K229-Q233 PolarHBondContact O-N 3.25Å; K229-Q233 VanDerWaalsContact O-N 3.15Å |
| 230 | N | 85.8 | Confident | 77.4 | Confident | 82 Ų | 82 | 107.5 Ų | 107.5 | 44% | 0.439 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.7 | -38.8 | 178 | -80.7 | -73.8 | 0 | 0 | 0 | 112.1 | A226 A227 A228 Q233 H234 | A226-N230 PolarHBondContact O-N 3.43Å; A226-N230 PolarHBondContact O-ND2 3.27Å; A227-N230 PolarHBondContact O-N 3.38Å; A228-N230 PolarHBondContact O-N 3.39Å; N230-Q233 PolarHBondContact O-N 3.09Å; N230-H234 PolarHBondContact O-N 3.02Å; N230-H234 VanDerWaalsContact O-N 3.11Å; N230-H234 PolarHBondContact O-ND1 3.5Å |
| 231 | R | 85.5 | Confident | 74.9 | Confident | 181 Ų | 181 | 108.2 Ų | 108.2 | 68% | 0.683 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -38.9 | 176.3 | -71.9 | 176.4 | -176.6 | -170.9 | -0.2 | 113.1 | A227 A228 K229 Q235 | A227-R231 WeakPolarHBondContact O-CG 3.48Å; A227-R231 PolarHBondContact O-N 2.97Å; A227-R231 VanDerWaalsContact O-N 3.09Å; A228-R231 PolarHBondContact O-N 3.5Å; K229-R231 VanDerWaalsContact C-N 3.35Å; K229-R231 PolarHBondContact O-N 3.36Å; R231-Q235 PolarHBondContact O-N 2.94Å; R231-Q235 VanDerWaalsContact O-N 3.14Å |
| 232 | L | 78.8 | Confident | 72.5 | Confident | 130 Ų | 130 | 112.6 Ų | 112.6 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.8 | -37.9 | 176.8 | -70 | 170.1 | 0 | 0 | 0 | 112 | A228 K229 G236 | A228-L232 PolarHBondContact O-N 3.09Å; K229-L232 PolarHBondContact O-N 2.86Å; L232-G236 PolarHBondContact O-N 3.28Å |
| 233 | Q | 74.6 | Confident | 70 | Confident | 105 Ų | 105 | 116.7 Ų | 116.7 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.9 | -38.3 | 177.1 | -73.4 | 179.6 | -13.9 | 0 | 0 | 112.7 | K229 N230 G236 | K229-Q233 PolarHBondContact O-N 3.25Å; K229-Q233 VanDerWaalsContact O-N 3.15Å; N230-Q233 PolarHBondContact O-N 3.09Å; Q233-G236 PolarHBondContact O-N 2.86Å |
| 234 | H | 64.3 | Low | 67.2 | Low | 138 Ų | 138 | 119 Ų | 119 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75 | -29.8 | 178.4 | -72.5 | 74.4 | 0 | 0 | 0 | 113.1 | N230 G236 I237 | N230-H234 PolarHBondContact O-N 3.02Å; N230-H234 VanDerWaalsContact O-N 3.11Å; N230-H234 PolarHBondContact O-ND1 3.5Å; H234-G236 VanDerWaalsContact C-N 3.33Å; H234-I237 PolarHBondContact O-N 3.17Å |
| 235 | Q | 59.8 | Low | 64.4 | Low | 144 Ų | 144 | 120.1 Ų | 120.1 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.6 | -23.6 | 172.7 | -78.4 | -179.6 | 74.8 | 0 | 0 | 113.3 | R231 I237 | R231-Q235 PolarHBondContact O-N 2.94Å; R231-Q235 VanDerWaalsContact O-N 3.14Å; Q235-I237 VanDerWaalsContact C-N 3.31Å; Q235-I237 PolarHBondContact O-N 2.98Å |
| 236 | G | 53.6 | Low | 61.6 | Low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -11.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L232 Q233 H234 | L232-G236 PolarHBondContact O-N 3.28Å; Q233-G236 PolarHBondContact O-N 2.86Å; H234-G236 VanDerWaalsContact C-N 3.33Å |
| 237 | I | 54.1 | Low | 58.9 | Low | 146 Ų | 146 | 129.9 Ų | 129.9 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -12.5 | -179 | -60.9 | 172.3 | 0 | 0 | 0 | 111.5 | H234 Q235 | H234-I237 PolarHBondContact O-N 3.17Å; Q235-I237 VanDerWaalsContact C-N 3.31Å; Q235-I237 PolarHBondContact O-N 2.98Å |
| 238 | G | 46.7 | Very low | 56 | Low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -94.3 | -1.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 239 | Q | 46 | Very low | 53.2 | Low | 187 Ų | 187 | 134.6 Ų | 134.6 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -100.1 | 7.6 | -179.3 | -84.6 | -168.8 | 20.7 | 0 | 0 | 115.6 | ||
| 240 | N | 44.3 | Very low | 50.4 | Low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -108.3 | 14.2 | 176.4 | -112.8 | 29.8 | 0 | 0 | 0 | 114.6 | ||
| 241 | G | 43.8 | Very low | 47.9 | Very low | 64 Ų | 64 | 137.1 Ų | 137.1 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -123.1 | 17.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 242 | M | 44.3 | Very low | 45.9 | Very low | 179 Ų | 179 | 134 Ų | 134 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -156 | 73.1 | 172.6 | -152.2 | 99.1 | 82.4 | 0 | 0 | 112.9 | ||||
| 243 | R | 42.8 | Very low | 43.6 | Very low | 255 Ų | 255 | 139 Ų | 139 | 96% | 0.962 | 79% | 0.787 | S | S | * | * | trans | -141.8 | 82.4 | 159.1 | -81.6 | -167.5 | 172.1 | -174.6 | -2.6 | 110.5 | ||||
| 244 | S | 35 | Very low | 41.6 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -173.2 | 118.3 | 153.6 | -159.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 245 | L | 37.3 | Very low | 40 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | -158.5 | 132.2 | 55 | -72.1 | 144.8 | 0 | 0 | 0 | 109.4 | |||||
| 246 | S | 33 | Very low | 38.9 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -171.7 | 107.5 | 138.9 | 36.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 247 | E | 34.5 | Very low | 37.8 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -95.6 | 123.2 | 171.9 | -169.3 | 176.6 | 157.7 | 0 | 0 | 107.7 | ||||
| 248 | S | 32.3 | Very low | 37 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -165.7 | 119.8 | 152.8 | -81.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 249 | G | 31.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | trans | -88.1 | 173.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 250 | C | 30 | Very low | 36.4 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | 173 | 126.5 | 134.5 | -90.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 251 | T | 33.9 | Very low | 35.9 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | -76.1 | 153.2 | 157.5 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 252 | P | 43.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | -148.5 | 151.3 | 67.5 | 35.5 | -13.4 | 0 | 0 | 0 | 117.2 | |||||
| 253 | R | 31.1 | Very low | 35 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | 58.3 | 116.6 | 127.1 | -156.5 | 177.8 | -171.3 | -125.9 | 2.7 | 119.1 | |||||
| 254 | S | 31.4 | Very low | 34.8 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | 145.9 | 135.9 | 107.6 | -147.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 255 | S | 31.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 61.4 | 108.8 | 145.3 | -49.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 256 | A | 35.9 | Very low | 35.6 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | 58.5 | 105.7 | 82.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 257 | E | 31.8 | Very low | 35.8 | Very low | 188 Ų | 188 | 126 Ų | 126 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | 171 | 115.5 | 127 | -94.4 | 177.2 | 110.9 | 0 | 0 | 110.1 | |||||
| 258 | S | 36.4 | Very low | 35.9 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 150.4 | 140.9 | -59 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 259 | P | 44.3 | Very low | 36.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | -149.8 | 164.4 | 91.2 | 33.4 | -13.4 | 0 | 0 | 0 | 116.6 | |||||
| 260 | S | 36 | Very low | 36.2 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -45 | 150.3 | 164.8 | -47.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 261 | T | 33.1 | Very low | 36.4 | Very low | 135 Ų | 135 | 123.3 Ų | 123.3 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -178.3 | 113.4 | 134.6 | 38.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 262 | A | 34.5 | Very low | 36.4 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | 61.3 | 111.8 | 88.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 263 | A | 35.3 | Very low | 36 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 160.9 | 116.5 | 129.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 264 | S | 39 | Very low | 36.2 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -74.6 | 156.9 | 144 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 265 | P | 49.1 | Very low | 36.6 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | -144.6 | 156.9 | 105.2 | 31.4 | -13 | 0 | 0 | 0 | 116.2 | |||||
| 266 | T | 39.9 | Very low | 36.9 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -20.6 | 139.8 | 156.2 | -54.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 267 | T | 36 | Very low | 36.9 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -153 | 121.2 | 131.5 | 27.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 268 | S | 36.9 | Very low | 37.1 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -79.3 | 148.8 | 170 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 269 | I | 36.3 | Very low | 36.9 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -142.1 | 111.3 | 151.2 | -53 | 179.6 | 0 | 0 | 0 | 108.9 | ||||
| 270 | S | 33.1 | Very low | 36.3 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -71 | 162.9 | 156.8 | -74.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 271 | S | 35.5 | Very low | 36.2 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | cis | 179.8 | 164.7 | 29.1 | 26.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 272 | M | 34.3 | Very low | 36.3 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | 161.4 | 127 | 95.2 | -84.9 | -79.7 | 96.6 | 0 | 0 | 106.9 | |||||
| 273 | T | 34.6 | Very low | 36.5 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | 76.3 | 142.5 | 115.2 | 68.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 274 | E | 34.1 | Very low | 36.3 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | -153.7 | 137.7 | 32.6 | -67.6 | 177.7 | 119.2 | 0 | 0 | 108.5 | ||||
| 275 | R | 40.5 | Very low | 36.2 | Very low | 243 Ų | 243 | 134.6 Ų | 134.6 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | 43.2 | 112.4 | 87.3 | -69.5 | -165 | 178.7 | -168.2 | 0.6 | 117.4 | |||||
| 276 | V | 37.7 | Very low | 35.6 | Very low | 148 Ų | 148 | 135 Ų | 135 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -146.4 | 130.5 | 140.1 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 277 | D | 36.1 | Very low | 35.4 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -70.3 | 153.9 | 174.5 | -86 | -55.8 | 0 | 0 | 0 | 114 | ||||
| 278 | T | 35.6 | Very low | 35.4 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | -179 | 127.8 | 122.6 | 21.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 279 | G | 33.4 | Very low | 35.2 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -74.8 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 280 | T | 31.6 | Very low | 35.5 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 153.1 | 127.7 | 131.8 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 281 | S | 33.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 70.6 | 108.8 | 150.4 | -64.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 282 | I | 36 | Very low | 36.1 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -24.1 | 126.8 | 133.2 | -51.6 | 179.1 | 0 | 0 | 0 | 113.8 | ||||
| 283 | L | 37.5 | Very low | 36.3 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -145.9 | 111.1 | 147.7 | -75.4 | -178.3 | 0 | 0 | 0 | 110.5 | ||||
| 284 | S | 32.3 | Very low | 36.7 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -72.3 | 128.6 | 157.4 | 39.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 285 | V | 36.3 | Very low | 36.8 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -139.3 | 127.3 | 161.2 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 286 | T | 37.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -80.6 | 140.6 | 173.8 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 287 | S | 35.4 | Very low | 36.6 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -177.1 | 107.1 | 148.9 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 288 | S | 35.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | 70.8 | 114.9 | 88.6 | -82.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 289 | D | 32.9 | Very low | 36.7 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 67.2 | 119.8 | 137.8 | -123.8 | -93.4 | 0 | 0 | 0 | 120.6 | ||||
| 290 | S | 42.8 | Very low | 36.9 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | 177.8 | 115.8 | 107.9 | -168.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 291 | E | 38.6 | Very low | 37.3 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 83% | 0.827 | S | S | * | * | trans | -58.9 | 137.3 | 155.5 | -82.2 | 168.3 | 49.5 | 0 | 0 | 110.9 | ||||
| 292 | C | 43.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | trans | -153.6 | 117.2 | 144.2 | 3.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 293 | D | 37.4 | Very low | 37.7 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -54.4 | 142.3 | 160.2 | -91 | -80.2 | 0 | 0 | 0 | 113.4 | ||||
| 294 | V | 43.3 | Very low | 37.7 | Very low | 215 Ų | 215 | 137.7 Ų | 137.7 | 100% | 1.303 | 84% | 0.838 | S | S | * | * | 176 | 0 | 125.9 | 151 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 294 of 294 residues in 152.2 ms
(Link to these results)