| 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 | 48 | Very low | 45 | Very low | 249 Ų | 249 | 137.5 Ų | 137.5 | 100% | 1.227 | 75% | 0.753 | S | S | * | * | 0 | 90.2 | 0 | -68.4 | 163 | 73.2 | 0 | 0 | 110 | |||||
| 2 | S | 46.3 | Very low | 44.2 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 73% | 0.732 | S | S | * | * | trans | 179.3 | 75.7 | 159.1 | -167.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | G | 40.4 | Very low | 44 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | trans | -132.3 | -19.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K5 | G3-K5 PolarHBondContact O-N 2.98Š| ||
| 4 | G | 44 | Very low | 43.9 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -81.6 | -9.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 5 | K | 44.6 | Very low | 43.8 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -89.7 | -17.6 | -173.7 | -76.3 | -176.2 | 179.1 | 178.4 | 0 | 114.9 | G3 | G3-K5 PolarHBondContact O-N 2.98Å |
| 6 | L | 45.2 | Very low | 43.4 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -81.4 | -44.7 | 178.7 | -86.7 | 157.5 | 0 | 0 | 0 | 112 | G8 K9 V10 | L6-G8 VanDerWaalsContact C-N 3.31Å; L6-G8 PolarHBondContact O-N 3.23Å; L6-K9 PolarHBondContact O-N 3.13Å; L6-K9 VanDerWaalsContact O-N 3.14Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.27Å |
| 7 | F | 47 | Very low | 43 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -65.5 | -30.5 | 179.1 | -100.7 | -88.2 | 0 | 0 | 0 | 113.7 | R11 | F7-R11 WeakPolarHBondContact O-CB 3.26Å; F7-R11 PolarHBondContact O-N 2.91Å |
| 8 | G | 41.5 | Very low | 42.8 | Very low | 48 Ų | 48 | 148.5 Ų | 148.5 | 50% | 0.495 | 75% | 0.754 | S | S | . | * | H | α-helix | trans | -70.2 | -31.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L6 S12 | L6-G8 VanDerWaalsContact C-N 3.31Å; L6-G8 PolarHBondContact O-N 3.23Å; G8-S12 VanDerWaalsContact O-CB 3.29Å; G8-S12 WeakPolarHBondContact O-CB 3.34Å; G8-S12 PolarHBondContact O-N 2.91Å; G8-S12 VanDerWaalsContact O-N 3.12Å |
| 9 | K | 43.7 | Very low | 42.4 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.2 | -36.6 | 179.9 | -122 | 172.7 | 178.4 | 174.4 | 0 | 112.1 | L6 S12 A13 | L6-K9 PolarHBondContact O-N 3.13Å; L6-K9 VanDerWaalsContact O-N 3.14Å; K9-S12 PolarHBondContact O-N 2.79Å; K9-A13 PolarHBondContact O-N 2.78Å |
| 10 | V | 47.8 | Very low | 41.9 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 54% | 0.539 | 75% | 0.747 | S | S | . | * | H | α-helix | trans | -69.5 | -38.1 | 175 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | L6 S12 A13 F14 | L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.27Å; V10-S12 VanDerWaalsContact C-N 3.32Å; V10-S12 PolarHBondContact O-N 3.2Å; V10-A13 PolarHBondContact O-N 2.76Å; V10-F14 PolarHBondContact O-N 3.46Å |
| 11 | R | 46.4 | Very low | 41.5 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -73.2 | -23.7 | 176.4 | -155.3 | 174.1 | 178 | -175.5 | -0.6 | 113.2 | F7 | F7-R11 WeakPolarHBondContact O-CB 3.26Å; F7-R11 PolarHBondContact O-N 2.91Å |
| 12 | S | 36 | Very low | 40.6 | Very low | 72 Ų | 72 | 144.4 Ų | 144.4 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -77.3 | -40.5 | 173.1 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | G8 K9 V10 F14 R15 R16 | G8-S12 VanDerWaalsContact O-CB 3.29Å; G8-S12 WeakPolarHBondContact O-CB 3.34Å; G8-S12 PolarHBondContact O-N 2.91Å; G8-S12 VanDerWaalsContact O-N 3.12Å; K9-S12 PolarHBondContact O-N 2.79Å; V10-S12 VanDerWaalsContact C-N 3.32Å; V10-S12 PolarHBondContact O-N 3.2Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 2.68Å; S12-R15 PolarHBondContact O-N 3.43Å; S12-R15 VanDerWaalsContact O-N 3.09Å; S12-R16 PolarHBondContact O-N 3.49Å |
| 13 | A | 41.5 | Very low | 40 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -63.6 | -31.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K9 V10 R15 | K9-A13 PolarHBondContact O-N 2.78Å; V10-A13 PolarHBondContact O-N 2.76Å; A13-R15 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 2.88Å |
| 14 | F | 43 | Very low | 39.7 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -4.3 | 174.6 | -107.2 | -86.4 | 0 | 0 | 0 | 115 | V10 S12 | V10-F14 PolarHBondContact O-N 3.46Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 2.68Å |
| 15 | R | 41.6 | Very low | 39 | Very low | 228 Ų | 228 | 147.4 Ų | 147.4 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -1.1 | -177.1 | -134.5 | 179.9 | -166 | -162.1 | 2.9 | 114.1 | S12 A13 | S12-R15 PolarHBondContact O-N 3.43Å; S12-R15 VanDerWaalsContact O-N 3.09Å; A13-R15 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 2.88Å |
| 16 | R | 37.9 | Very low | 38.8 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -132.5 | 69.6 | -175.9 | -159.6 | 171.4 | -179.7 | 141.6 | -1.1 | 111.1 | S12 | S12-R16 PolarHBondContact O-N 3.49Š|
| 17 | D | 35.9 | Very low | 38.3 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | -172.8 | 94.8 | 127.6 | -96.1 | -21 | 0 | 0 | 0 | 108.5 | |||||
| 18 | R | 40.2 | Very low | 37.7 | Very low | 244 Ų | 244 | 137.7 Ų | 137.7 | 92% | 0.921 | 70% | 0.701 | S | S | * | * | trans | -121.7 | 54.4 | 171.9 | -161.1 | 169.5 | 93.7 | 167.9 | 5.8 | 108.2 | ||||
| 19 | T | 35.3 | Very low | 37.1 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -155.2 | 130.7 | 168.7 | 33.1 | 0 | 0 | 0 | 0 | 106.8 | ||
| 20 | D | 31.2 | Very low | 36.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | trans | 78.4 | 56.9 | 172.4 | -50.9 | -25.4 | 0 | 0 | 0 | 118.7 | N22 | D20-N22 VanDerWaalsContact C-N 3.29Š| ||
| 21 | W | 33.9 | Very low | 35.7 | Very low | 244 Ų | 244 | 148.3 Ų | 148.3 | 92% | 0.924 | 73% | 0.733 | S | S | * | * | trans | -98.8 | 64.7 | 138.5 | -75.3 | 82.4 | 0 | 0 | 0 | 108.5 | L23 | W21-L23 PolarHBondContact O-N 2.71Å; W21-L23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | N | 29.3 | Very low | 35 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | trans | -73.7 | 95.2 | 164.8 | -110.9 | -38.7 | 0 | 0 | 0 | 107 | D20 S24 | D20-N22 VanDerWaalsContact C-N 3.29Å; N22-S24 PolarHBondContact O-N 3.43Å | ||
| 23 | L | 34.4 | Very low | 34.9 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | -71.9 | 67.6 | 157.3 | -81.7 | 160.7 | 0 | 0 | 0 | 108.3 | W21 D25 R182 | W21-L23 PolarHBondContact O-N 2.71Å; W21-L23 VanDerWaalsContact O-N 3.16Å; L23-D25 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact O-N 3.11Å; L23-R182 PolarHBondContact O-NH2 3.5Å; L23-R182 VanDerWaalsContact O-NH2 3.15Å | ||
| 24 | S | 33.5 | Very low | 34.6 | Very low | 82 Ų | 82 | 151.9 Ų | 151.9 | 57% | 0.573 | 75% | 0.753 | S | S | * | * | trans | -78 | 65.8 | 158.3 | 60.4 | 0 | 0 | 0 | 0 | 108.1 | N22 S26 | N22-S24 PolarHBondContact O-N 3.43Å; S24-S26 PolarHBondContact O-N 3.33Å | ||
| 25 | D | 30.3 | Very low | 34.1 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 58% | 0.578 | 75% | 0.754 | S | S | * | * | trans | -73.3 | 83.1 | 157.9 | -86.1 | -22.3 | 0 | 0 | 0 | 107 | L23 R182 | L23-D25 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact O-N 3.11Å; D25-R182 PolarHBondContact O-NH1 2.87Å; D25-R182 PolarHBondContact O-NH2 3.16Å | ||
| 26 | S | 39.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -115.1 | 67.9 | 152.9 | 49.8 | 0 | 0 | 0 | 0 | 106.1 | S24 | S24-S26 PolarHBondContact O-N 3.33Š| ||
| 27 | A | 34 | Very low | 33.3 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | trans | -103.7 | 101 | 155.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | F29 | A27-F29 PolarHBondContact O-N 3.35Š| ||
| 28 | P | 34.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -64.3 | 127.1 | 165.1 | 26.9 | -27.8 | 0 | 0 | 0 | 107.1 | D30 | P28-D30 PolarHBondContact O-N 2.86Š| ||
| 29 | F | 30 | Very low | 32.7 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | trans | -64.8 | 105.3 | 164.6 | -86.3 | -89.5 | 0 | 0 | 0 | 106.9 | A27 F31 | A27-F29 PolarHBondContact O-N 3.35Å; F29-F31 PolarHBondContact O-N 3.11Å | ||
| 30 | D | 29.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | trans | -80.7 | 109.9 | 178.8 | -168.3 | 3.9 | 0 | 0 | 0 | 109.3 | P28 S32 | P28-D30 PolarHBondContact O-N 2.86Å; D30-S32 PolarHBondContact OD1-N 3.28Å; D30-S32 VanDerWaalsContact OD1-N 3.16Å | ||
| 31 | F | 32.8 | Very low | 32.8 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -127.7 | 50.2 | 166.2 | -99.6 | -77.3 | 0 | 0 | 0 | 108.1 | F29 | F29-F31 PolarHBondContact O-N 3.11Š| ||
| 32 | S | 30.7 | Very low | 32.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -128.3 | 57.2 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | D30 | D30-S32 PolarHBondContact OD1-N 3.28Å; D30-S32 VanDerWaalsContact OD1-N 3.16Å | ||
| 33 | D | 34.5 | Very low | 32.9 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -127.1 | 77 | 155.8 | -100 | -22.4 | 0 | 0 | 0 | 107.3 | ||||
| 34 | E | 34.4 | Very low | 32.8 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -177.4 | 125.4 | 141.7 | -109.5 | 179 | 110.7 | 0 | 0 | 111.2 | ||
| 35 | L | 33.1 | Very low | 32.8 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 89 | 109.4 | 155.9 | -54.1 | 168.1 | 0 | 0 | 0 | 119 | ||||
| 36 | G | 29.4 | Very low | 32.9 | Very low | 78 Ų | 78 | 149.7 Ų | 149.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 113.2 | 104.5 | 123.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 37 | E | 33.9 | Very low | 32.6 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -57 | 160.9 | 165.4 | -67.3 | 165.8 | 115.7 | 0 | 0 | 112.5 | ||||
| 38 | D | 30.6 | Very low | 32.4 | Very low | 150 Ų | 150 | 158.4 Ų | 158.4 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | 81 | 98.1 | 166.6 | -52.1 | -30.5 | 0 | 0 | 0 | 118 | ||||
| 39 | D | 32.3 | Very low | 32.2 | Very low | 170 Ų | 170 | 158.9 Ų | 158.9 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | 174.8 | 147.5 | 111.1 | -100.3 | -36.1 | 0 | 0 | 0 | 113.8 | |||||
| 40 | E | 35.9 | Very low | 32.2 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71 | 125.9 | -165.2 | -164.2 | 149.2 | 123.4 | 0 | 0 | 115.1 | ||
| 41 | A | 32.3 | Very low | 32.3 | Very low | 90 Ų | 90 | 154.4 Ų | 154.4 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 129.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 42 | P | 32.9 | Very low | 32.3 | Very low | 111 Ų | 111 | 150.4 Ų | 150.4 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 133.5 | -176.5 | 31 | -31.8 | 0 | 0 | 0 | 113 | F44 | P42-F44 PolarHBondContact O-N 2.89Š|
| 43 | K | 31.7 | Very low | 32.2 | Very low | 204 Ų | 204 | 148.7 Ų | 148.7 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69 | 118.2 | 173.1 | -77.2 | 172.7 | 176.6 | 168.5 | 0 | 111.5 | ||
| 44 | F | 33.4 | Very low | 31.9 | Very low | 204 Ų | 204 | 151 Ų | 151 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 119.6 | 167.6 | -86.6 | -88.8 | 0 | 0 | 0 | 111.4 | P42 | P42-F44 PolarHBondContact O-N 2.89Š|
| 45 | N | 33.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 139.1 | 179.2 | -100.9 | -22.3 | 0 | 0 | 0 | 112.7 | ||
| 46 | K | 32 | Very low | 31.3 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | 31 | 106.3 | 150.5 | -75.2 | -179.2 | 174.8 | 176.5 | 0 | 118.8 | ||||
| 47 | L | 32.5 | Very low | 31.1 | Very low | 177 Ų | 177 | 152 Ų | 152 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -78.6 | 121.4 | 153.9 | -80.4 | 154.9 | 0 | 0 | 0 | 109.8 | ||||
| 48 | K | 30.4 | Very low | 30.7 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -90.2 | 104.7 | 173.9 | -175.6 | -177.7 | 178.8 | -178.6 | 0 | 108.6 | V50 | K48-V50 HydrophobicContact CD-CG2 4.23Å; K48-V50 HydrophobicContact CG-CG2 4.07Å | ||
| 49 | V | 30.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -80.3 | 115.1 | 168.1 | 180 | 0 | 0 | 0 | 0 | 107.4 | V51 | V49-V51 HydrophobicContact CG1-CG2 4.01Š| ||
| 50 | V | 30.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 150 Ų | 150 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | trans | -98.6 | 107.2 | 171.9 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | K48 | K48-V50 HydrophobicContact CD-CG2 4.23Å; K48-V50 HydrophobicContact CG-CG2 4.07Å | ||
| 51 | V | 31.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 76% | 0.758 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 109.6 | 164.1 | 179.5 | 0 | 0 | 0 | 0 | 105.9 | V49 G53 | V49-V51 HydrophobicContact CG1-CG2 4.01Å; V51-G53 PolarHBondContact O-N 3.02Å | ||
| 52 | S | 31.4 | Very low | 29.3 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -73.4 | 112.9 | 164.9 | -82.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 53 | G | 29.1 | Very low | 29 | Very low | 63 Ų | 63 | 145.5 Ų | 145.5 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | trans | -89.9 | 144.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V51 | V51-G53 PolarHBondContact O-N 3.02Š| ||
| 54 | E | 28.3 | Very low | 28.7 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 97% | 0.967 | 81% | 0.813 | S | S | * | * | trans | -129.3 | 111.5 | 147.1 | -75 | -170.3 | 128.8 | 0 | 0 | 107.1 | ||||
| 55 | M | 26.6 | Very low | 28.4 | Very low | 182 Ų | 182 | 138 Ų | 138 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -110.8 | 118.7 | 172.8 | -178.5 | 103.2 | 170.4 | 0 | 0 | 105 | ||||
| 56 | S | 27.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -108.8 | 121 | 169.1 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 57 | D | 25.5 | Very low | 27.6 | Very low | 136 Ų | 136 | 132 Ų | 132 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -51.1 | 151.4 | 176.8 | -61.3 | -52.8 | 0 | 0 | 0 | 113.8 | ||||
| 58 | Y | 26 | Very low | 27.3 | Very low | 242 Ų | 242 | 127.8 Ų | 127.8 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -164.6 | 147.9 | 134.4 | -98.3 | -69.8 | 0 | 0 | 0 | 112.7 | ||||
| 59 | S | 26.3 | Very low | 27.1 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -61.6 | 160.4 | -159.6 | -65 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 60 | A | 26.5 | Very low | 27 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -49.4 | 138.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | G | 25 | Very low | 26.7 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -164.2 | 100 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 62 | A | 24.5 | Very low | 26.4 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -66.7 | 139 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 63 | S | 25.1 | Very low | 26.2 | Very low | 113 Ų | 113 | 125.8 Ų | 125.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -146.3 | 123.8 | 156.5 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 64 | S | 25.9 | Very low | 26.1 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | -53.2 | 147.7 | 168.9 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 65 | N | 26.9 | Very low | 26.3 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | -176.5 | 112.6 | 123.7 | -85.5 | -17.2 | 0 | 0 | 0 | 109 | |||||
| 66 | G | 24.2 | Very low | 26.5 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -83 | 157.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 67 | V | 25.6 | Very low | 26.5 | Very low | 145 Ų | 145 | 120 Ų | 120 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -148 | 120.7 | 157.2 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 68 | A | 25.7 | Very low | 26.6 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 39.7 | 109.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 69 | V | 26.8 | Very low | 26.7 | Very low | 134 Ų | 134 | 111.1 Ų | 111.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -71.1 | 120.4 | 149.7 | 169 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 70 | S | 27.2 | Very low | 26.7 | Very low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -107.8 | 101 | 163.9 | -105 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 71 | T | 24.8 | Very low | 26.9 | Very low | 116 Ų | 116 | 111 Ų | 111 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -67.9 | 123.3 | 162.2 | -13 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 72 | V | 25.8 | Very low | 27.4 | Very low | 135 Ų | 135 | 115.8 Ų | 115.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -124.8 | 118.3 | 161.9 | 178.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 73 | V | 26.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -98.9 | 162.1 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 74 | V | 28.1 | Very low | 28.4 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | 120.6 | 141.6 | 151.2 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 75 | P | 30.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | cis | -132.3 | -175.9 | -29.5 | 34.8 | -15.4 | 0 | 0 | 0 | 113.5 | ||||
| 76 | P | 30.7 | Very low | 29.8 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -99.3 | 143.4 | 171.3 | 35.9 | -26.9 | 0 | 0 | 0 | 113.3 | ||||
| 77 | G | 27.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 169.4 | 129.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 78 | A | 28.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 127 Ų | 127 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | 72.2 | 131 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 79 | G | 27.4 | Very low | 32.6 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | cis | 115.7 | 98.2 | 10 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 80 | G | 27.2 | Very low | 33.4 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | 107.7 | 124.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 81 | D | 29.3 | Very low | 33.7 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 79.3 | 103.3 | 149.2 | -48 | -24.4 | 0 | 0 | 0 | 118.5 | ||||
| 82 | E | 36.6 | Very low | 34.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | 79.1 | 96.9 | 89.5 | -76 | -170.2 | 151.9 | 0 | 0 | 112.7 | |||||
| 83 | D | 34.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | 156.8 | 94.4 | 140.9 | -79.4 | -26.8 | 0 | 0 | 0 | 109.9 | D85 | D83-D85 PolarHBondContact O-N 3.08Š| ||
| 84 | D | 35.9 | Very low | 34.8 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -80.5 | 96.2 | 179.2 | -83.7 | -45 | 0 | 0 | 0 | 111 | ||||
| 85 | D | 43.4 | Very low | 35 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -149.4 | 68.2 | 156 | -92.9 | -35.8 | 0 | 0 | 0 | 109.5 | D83 | D83-D85 PolarHBondContact O-N 3.08Š| ||
| 86 | D | 38.9 | Very low | 35.4 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -150.9 | 94.4 | 164.5 | -95.1 | -34.6 | 0 | 0 | 0 | 111.1 | S88 | D86-S88 PolarHBondContact O-N 3.27Š| ||
| 87 | D | 45.2 | Very low | 35.3 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -70.6 | 80.8 | 168.2 | -94.9 | -34.3 | 0 | 0 | 0 | 109.6 | L89 | D87-L89 PolarHBondContact O-N 3.03Š| ||
| 88 | S | 41.4 | Very low | 35.5 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | 1.6 | 101.1 | 152.2 | 42.3 | 0 | 0 | 0 | 0 | 117 | D86 L90 | D86-S88 PolarHBondContact O-N 3.27Å; S88-L90 PolarHBondContact O-N 3.27Å | ||
| 89 | L | 47.3 | Very low | 36.1 | Very low | 164 Ų | 164 | 134.3 Ų | 134.3 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | trans | -91.3 | 38.7 | 169.7 | -99 | 177.9 | 0 | 0 | 0 | 113.2 | D87 | D87-L89 PolarHBondContact O-N 3.03Š| ||
| 90 | L | 42.8 | Very low | 36.5 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -148.3 | 92.1 | 175.1 | -69.6 | 174.1 | 0 | 0 | 0 | 111 | S88 | S88-L90 PolarHBondContact O-N 3.27Š| ||
| 91 | D | 34.6 | Very low | 37.1 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 83% | 0.825 | S | S | * | * | trans | -162.6 | 109.9 | 136.7 | -122.4 | -17.8 | 0 | 0 | 0 | 110 | ||||
| 92 | S | 33.8 | Very low | 37.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -142.3 | 69 | 169.9 | -68.2 | 0 | 0 | 0 | 0 | 107.7 | S94 | S92-S94 PolarHBondContact O-N 2.88Š| ||
| 93 | S | 31.8 | Very low | 38 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | trans | -78.6 | 97.1 | 160 | 45.5 | 0 | 0 | 0 | 0 | 108.1 | T95 | S93-T95 PolarHBondContact O-N 3.08Š| ||
| 94 | S | 35.7 | Very low | 39.1 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 112.5 | 170.1 | 43.6 | 0 | 0 | 0 | 0 | 110 | S92 | S92-S94 PolarHBondContact O-N 2.88Š| ||
| 95 | T | 31.2 | Very low | 40 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -79.3 | 126.4 | 161.1 | 29.2 | 0 | 0 | 0 | 0 | 109.6 | S93 | S93-T95 PolarHBondContact O-N 3.08Š| ||
| 96 | P | 39.1 | Very low | 41.1 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -90.8 | 122.5 | 174.5 | 31.5 | -26.3 | 0 | 0 | 0 | 110.1 | ||||
| 97 | G | 28.9 | Very low | 42.5 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 165.2 | 75.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 98 | S | 31.5 | Very low | 43.7 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -173.3 | 131 | 148.2 | -79.3 | 0 | 0 | 0 | 0 | 109.5 | G100 | S98-G100 VanDerWaalsContact C-N 3.26Å; S98-G100 PolarHBondContact O-N 3.47Å | ||
| 99 | P | 41.5 | Very low | 45.2 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 95% | 0.948 | 74% | 0.741 | S | S | * | * | trans | -80 | 78.5 | 175.1 | 32.4 | -29.9 | 0 | 0 | 0 | 109.1 | ||||
| 100 | G | 35 | Very low | 46.4 | Very low | 57 Ų | 57 | 115.9 Ų | 115.9 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | trans | -112.1 | 130.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S98 N102 | S98-G100 VanDerWaalsContact C-N 3.26Å; S98-G100 PolarHBondContact O-N 3.47Å; G100-N102 PolarHBondContact O-N 3.46Å | ||
| 101 | L | 41.1 | Very low | 47.7 | Very low | 173 Ų | 173 | 112.7 Ų | 112.7 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | trans | -16.7 | 117.9 | 173.3 | -62.2 | 168.6 | 0 | 0 | 0 | 112.9 | M103 | L101-M103 PolarHBondContact O-N 3.03Š| ||
| 102 | N | 41.5 | Very low | 49.8 | Very low | 168 Ų | 168 | 111.6 Ų | 111.6 | 90% | 0.898 | 69% | 0.686 | S | S | * | * | trans | -45.3 | 100.6 | 175 | -84.1 | -39.8 | 0 | 0 | 0 | 109.5 | G100 | G100-N102 PolarHBondContact O-N 3.46Š| ||
| 103 | M | 43.9 | Very low | 51.8 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 67% | 0.665 | 67% | 0.667 | S | S | * | * | trans | -82.4 | 124.4 | 176.1 | -173 | 123.1 | 59.4 | 0 | 0 | 106.6 | L101 D107 | L101-M103 PolarHBondContact O-N 3.03Å; M103-D107 HydrophobicContact CG-CB 4.44Å | ||
| 104 | D | 56.6 | Low | 53.9 | Low | 106 Ų | 106 | 111.3 Ų | 111.3 | 57% | 0.567 | 66% | 0.655 | S | S | * | * | trans | -54.1 | 130.1 | -177.6 | -70 | -48.6 | 0 | 0 | 0 | 110.5 | C106 D107 | D104-C106 PolarHBondContact O-N 2.82Å; D104-D107 PolarHBondContact O-N 3.06Å | ||
| 105 | P | 55.4 | Low | 56 | Low | 110 Ų | 110 | 112.5 Ų | 112.5 | 71% | 0.714 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -52.3 | -25.2 | -179.7 | -28.3 | 34 | 0 | 0 | 0 | 114 | ||
| 106 | C | 65.9 | Low | 58.4 | Low | 91 Ų | 91 | 110.1 Ų | 110.1 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.4 | -25.6 | -179.9 | -73.3 | 0 | 0 | 0 | 0 | 114.6 | D104 N108 C109 N110 | D104-C106 PolarHBondContact O-N 2.82Å; C106-N108 VanDerWaalsContact C-N 3.35Å; C106-N108 PolarHBondContact O-N 2.9Å; C106-C109 WeakPolarHBondContact O-CB 3.36Å; C106-C109 PolarHBondContact O-N 3.21Å; C106-N110 PolarHBondContact O-N 2.84Å |
| 107 | D | 67.6 | Low | 60.2 | Low | 72 Ų | 72 | 108.1 Ų | 108.1 | 39% | 0.385 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.4 | -35.7 | -178.4 | -102.2 | 5.3 | 0 | 0 | 0 | 112.1 | M103 D104 N110 K111 | M103-D107 HydrophobicContact CG-CB 4.44Å; D104-D107 PolarHBondContact O-N 3.06Å; D107-N110 PolarHBondContact O-N 2.87Å; D107-K111 WeakPolarHBondContact O-CG 3.36Å; D107-K111 PolarHBondContact O-N 3.07Å |
| 108 | N | 70.6 | Confident | 62.5 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 57% | 0.572 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -35.3 | 177 | -155 | 13.5 | 0 | 0 | 0 | 111.5 | C106 K111 K112 | C106-N108 VanDerWaalsContact C-N 3.35Å; C106-N108 PolarHBondContact O-N 2.9Å; N108-K111 PolarHBondContact O-N 3.39Å; N108-K112 WeakPolarHBondContact O-CB 3.36Å; N108-K112 PolarHBondContact O-N 2.88Å |
| 109 | C | 73.3 | Confident | 65 | Low | 87 Ų | 87 | 109.7 Ų | 109.7 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.6 | -43.5 | 172.5 | -74.1 | 0 | 0 | 0 | 0 | 112 | C106 K112 R113 | C106-C109 WeakPolarHBondContact O-CB 3.36Å; C106-C109 PolarHBondContact O-N 3.21Å; C109-K112 PolarHBondContact O-N 2.59Å; C109-R113 WeakPolarHBondContact O-CB 3.42Å; C109-R113 PolarHBondContact O-N 2.72Å |
| 110 | N | 72.2 | Confident | 67 | Low | 74 Ų | 74 | 109.2 Ų | 109.2 | 40% | 0.396 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.8 | -85.8 | -32.8 | 0 | 0 | 0 | 112.2 | C106 D107 K112 R113 E114 | C106-N110 PolarHBondContact O-N 2.84Å; D107-N110 PolarHBondContact O-N 2.87Å; N110-K112 PolarHBondContact O-N 2.81Å; N110-R113 PolarHBondContact O-N 3.21Å; N110-R113 PolarHBondContact OD1-NH2 3.28Å; N110-E114 PolarHBondContact O-N 3.23Å |
| 111 | K | 71.4 | Confident | 69.2 | Low | 95 Ų | 95 | 107.6 Ų | 107.6 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.9 | -73.5 | 172.3 | -176.8 | 164.8 | 0 | 112.3 | D107 N108 R115 | D107-K111 WeakPolarHBondContact O-CG 3.36Å; D107-K111 PolarHBondContact O-N 3.07Å; N108-K111 PolarHBondContact O-N 3.39Å; K111-R115 WeakPolarHBondContact O-CG 3.5Å; K111-R115 PolarHBondContact O-N 3.29Å; K111-R115 VanDerWaalsContact O-N 3.1Å |
| 112 | K | 77.5 | Confident | 71.2 | Confident | 128 Ų | 128 | 101 Ų | 101 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -44.9 | 175.7 | -171.1 | 177 | 180 | -179 | 0 | 110.9 | N108 C109 N110 R115 I116 | N108-K112 WeakPolarHBondContact O-CB 3.36Å; N108-K112 PolarHBondContact O-N 2.88Å; C109-K112 PolarHBondContact O-N 2.59Å; N110-K112 PolarHBondContact O-N 2.81Å; K112-R115 PolarHBondContact O-N 3.22Å; K112-I116 HydrophobicContact CG-CD1 4.14Å; K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 3.34Å |
| 113 | R | 77.1 | Confident | 73.4 | Confident | 120 Ų | 120 | 99 Ų | 99 | 45% | 0.453 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 177.8 | -173.5 | 171.1 | 68 | 176.8 | -1 | 112.5 | C109 N110 I116 R117 | C109-R113 WeakPolarHBondContact O-CB 3.42Å; C109-R113 PolarHBondContact O-N 2.72Å; N110-R113 PolarHBondContact O-N 3.21Å; N110-R113 PolarHBondContact OD1-NH2 3.28Å; R113-I116 PolarHBondContact O-N 3.33Å; R113-R117 PolarHBondContact O-N 3Å |
| 114 | E | 76.1 | Confident | 75.3 | Confident | 104 Ų | 104 | 96 Ų | 96 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 176.3 | -168.5 | -178.2 | 172.5 | 0 | 0 | 111.1 | N110 I116 R117 H118 K391 | N110-E114 PolarHBondContact O-N 3.23Å; E114-I116 PolarHBondContact O-N 3.48Å; E114-R117 PolarHBondContact O-N 3.32Å; E114-H118 WeakPolarHBondContact O-CB 3.39Å; E114-H118 PolarHBondContact O-N 3.3Å; E114-K391 IonicContact OE1-NZ 3.83Å |
| 115 | R | 78.4 | Confident | 76.5 | Confident | 138 Ų | 138 | 91.1 Ų | 91.1 | 52% | 0.521 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | 175.6 | -73.5 | -170.3 | -67.6 | -106.7 | 3.3 | 112.7 | K111 K112 H118 R119 | K111-R115 WeakPolarHBondContact O-CG 3.5Å; K111-R115 PolarHBondContact O-N 3.29Å; K111-R115 VanDerWaalsContact O-N 3.1Å; K112-R115 PolarHBondContact O-N 3.22Å; R115-H118 PolarHBondContact O-N 3.42Å; R115-R119 WeakPolarHBondContact O-CB 3.43Å; R115-R119 PolarHBondContact O-N 2.89Å |
| 116 | I | 82 | Confident | 78.1 | Confident | 84 Ų | 84 | 89.4 Ų | 89.4 | 43% | 0.431 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 178.2 | -67.4 | 166.3 | 0 | 0 | 0 | 110.7 | K112 R113 E114 R119 R120 | K112-I116 HydrophobicContact CG-CD1 4.14Å; K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 3.34Å; R113-I116 PolarHBondContact O-N 3.33Å; E114-I116 PolarHBondContact O-N 3.48Å; I116-R119 PolarHBondContact O-N 3.43Å; I116-R120 WeakPolarHBondContact O-CG 3.32Å; I116-R120 PolarHBondContact O-N 3.36Å |
| 117 | R | 77.2 | Confident | 79.2 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.7 | -175.3 | -175.1 | -67.7 | 172.6 | -1.7 | 110.8 | R113 E114 R119 R120 V121 | R113-R117 PolarHBondContact O-N 3Å; E114-R117 PolarHBondContact O-N 3.32Å; R117-R119 VanDerWaalsContact C-N 3.35Å; R117-R119 PolarHBondContact O-N 3.49Å; R117-R120 WeakPolarHBondContact O-CB 3.48Å; R117-R120 PolarHBondContact O-N 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.49Å |
| 118 | H | 77.2 | Confident | 80 | Confident | 39 Ų | 39 | 85.9 Ų | 85.9 | 18% | 0.181 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 179.7 | -167.5 | -85.9 | 0 | 0 | 0 | 112 | E114 R115 R120 V121 M122 L172 | E114-H118 WeakPolarHBondContact O-CB 3.39Å; E114-H118 PolarHBondContact O-N 3.3Å; R115-H118 PolarHBondContact O-N 3.42Å; H118-R120 VanDerWaalsContact C-N 3.34Å; H118-R120 PolarHBondContact O-N 2.8Å; H118-V121 PolarHBondContact O-N 2.88Å; H118-M122 VanDerWaalsContact CE1-SD 3.55Å; H118-M122 WeakPolarHBondContact O-CG 3.43Å; H118-M122 PolarHBondContact O-N 2.84Å; H118-L172 PolarHBondContact CE1-O 2.9Å; H118-L172 VanDerWaalsContact CE1-O 3.25Å; H118-L172 PolarHBondContact NE2-O 2.89Å |
| 119 | R | 83.4 | Confident | 80.8 | Confident | 177 Ų | 177 | 81.3 Ų | 81.3 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.3 | -37.8 | 177.3 | -163.3 | 173.8 | -174.3 | -173.3 | -0.2 | 112.2 | R115 I116 R117 K123 | R115-R119 WeakPolarHBondContact O-CB 3.43Å; R115-R119 PolarHBondContact O-N 2.89Å; I116-R119 PolarHBondContact O-N 3.43Å; R117-R119 VanDerWaalsContact C-N 3.35Å; R117-R119 PolarHBondContact O-N 3.49Å; R119-K123 WeakPolarHBondContact O-CG 3.4Å; R119-K123 PolarHBondContact O-N 2.9Å |
| 120 | R | 83.5 | Confident | 81.6 | Confident | 137 Ų | 137 | 81.6 Ų | 81.6 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 173.2 | -77.2 | -172.2 | -76.2 | 176.2 | -7.7 | 111.8 | I116 R117 H118 K123 R124 | I116-R120 WeakPolarHBondContact O-CG 3.32Å; I116-R120 PolarHBondContact O-N 3.36Å; R117-R120 WeakPolarHBondContact O-CB 3.48Å; R117-R120 PolarHBondContact O-N 3.29Å; H118-R120 VanDerWaalsContact C-N 3.34Å; H118-R120 PolarHBondContact O-N 2.8Å; R120-K123 PolarHBondContact O-N 3.34Å; R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 2.86Å |
| 121 | V | 81.3 | Confident | 82.4 | Confident | 23 Ų | 23 | 80.4 Ų | 80.4 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.4 | 170.8 | 0 | 0 | 0 | 0 | 111 | R117 H118 K123 R124 L125 L172 V293 | R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.49Å; H118-V121 PolarHBondContact O-N 2.88Å; V121-K123 PolarHBondContact O-N 3.48Å; V121-R124 PolarHBondContact O-N 2.72Å; V121-L125 HydrophobicContact CG1-CD1 3.99Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CG 3.26Å; V121-L125 PolarHBondContact O-N 2.94Å; V121-L172 HydrophobicContact CG1-CD1 3.91Å; V121-V293 HydrophobicContact CB-CG2 4.28Å; V121-V293 HydrophobicContact CG1-CG2 3.36Å; V121-V293 HydrophobicContact CG2-CG2 3.87Å |
| 122 | M | 83.9 | Confident | 83.1 | Confident | 34 Ų | 34 | 76 Ų | 76 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 177 | -73.9 | -175 | 127.7 | 0 | 0 | 112.4 | H118 R124 L125 I126 L172 W173 | H118-M122 VanDerWaalsContact CE1-SD 3.55Å; H118-M122 WeakPolarHBondContact O-CG 3.43Å; H118-M122 PolarHBondContact O-N 2.84Å; M122-R124 VanDerWaalsContact C-N 3.3Å; M122-R124 PolarHBondContact O-N 2.97Å; M122-L125 PolarHBondContact O-N 3.11Å; M122-I126 WeakPolarHBondContact O-CB 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.26Å; M122-I126 PolarHBondContact O-N 3.15Å; M122-L172 HydrophobicContact CE-CB 4.04Å; M122-W173 VanDerWaalsContact CE-CA 3.44Å; M122-W173 HydrophobicContact CE-CB 3.66Å; M122-W173 HydrophobicContact CE-CG 4.42Å |
| 123 | K | 86.5 | Confident | 83.7 | Confident | 126 Ų | 126 | 75.1 Ų | 75.1 | 55% | 0.548 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 177.1 | -76.5 | -177 | 177.5 | -170.6 | 0 | 111.5 | R119 R120 V121 I126 I127 | R119-K123 WeakPolarHBondContact O-CG 3.4Å; R119-K123 PolarHBondContact O-N 2.9Å; R120-K123 PolarHBondContact O-N 3.34Å; V121-K123 PolarHBondContact O-N 3.48Å; K123-I126 PolarHBondContact O-N 2.87Å; K123-I127 VanDerWaalsContact O-CG1 3.26Å; K123-I127 WeakPolarHBondContact O-CG1 3.24Å; K123-I127 PolarHBondContact O-N 2.91Å |
| 124 | R | 83.4 | Confident | 84.3 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 178.7 | -69.9 | 174.8 | -178.2 | -165.9 | -5.5 | 112.2 | R120 V121 M122 I126 I127 A128 Q249 G250 | R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 2.86Å; V121-R124 PolarHBondContact O-N 2.72Å; M122-R124 VanDerWaalsContact C-N 3.3Å; M122-R124 PolarHBondContact O-N 2.97Å; R124-I126 VanDerWaalsContact C-N 3.31Å; R124-I126 PolarHBondContact O-N 2.94Å; R124-I127 PolarHBondContact O-N 2.93Å; R124-A128 WeakPolarHBondContact O-CB 3.37Å; R124-A128 PolarHBondContact O-N 2.74Å; R124-Q249 PolarHBondContact NH1-O 3.41Å; R124-Q249 PolarHBondContact NH2-O 2.73Å; R124-G250 VanDerWaalsContact NH1-CA 3.3Å |
| 125 | L | 83.3 | Confident | 84.8 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 177.3 | -69.4 | 175.7 | 0 | 0 | 0 | 112.5 | V121 M122 A129 I165 L169 L172 L247 A296 | V121-L125 HydrophobicContact CG1-CD1 3.99Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CG 3.26Å; V121-L125 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 3.11Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.01Å; L125-I165 HydrophobicContact CB-CG2 4.41Å; L125-I165 HydrophobicContact CD2-CG2 4.49Å; L125-L169 HydrophobicContact CB-CD1 4.23Å; L125-L172 HydrophobicContact CD1-CD1 3.38Å; L125-L247 HydrophobicContact CD2-CD2 4.49Å; L125-A296 HydrophobicContact CD2-CB 4.34Å |
| 126 | I | 89.3 | Confident | 85.3 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | 174.2 | -69.7 | 166 | 0 | 0 | 0 | 110.7 | M122 K123 R124 A128 A129 I130 L169 | M122-I126 WeakPolarHBondContact O-CB 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.26Å; M122-I126 PolarHBondContact O-N 3.15Å; K123-I126 PolarHBondContact O-N 2.87Å; R124-I126 VanDerWaalsContact C-N 3.31Å; R124-I126 PolarHBondContact O-N 2.94Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 3Å; I126-A129 PolarHBondContact O-N 3.44Å; I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.48Å; I126-I130 WeakPolarHBondContact O-CG1 3.21Å; I126-I130 PolarHBondContact O-N 3.12Å; I126-L169 HydrophobicContact CD1-CD1 4.19Å; I126-L169 HydrophobicContact CG1-CD1 3.57Å; I126-L169 HydrophobicContact CG1-CD2 4.06Å; I126-L169 HydrophobicContact CG1-CG 4.48Å |
| 127 | I | 88.3 | Confident | 85.7 | Confident | 88 Ų | 88 | 64 Ų | 64 | 45% | 0.451 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 177 | -65.8 | 163.9 | 0 | 0 | 0 | 109.8 | K123 R124 I130 L131 L246 | K123-I127 VanDerWaalsContact O-CG1 3.26Å; K123-I127 WeakPolarHBondContact O-CG1 3.24Å; K123-I127 PolarHBondContact O-N 2.91Å; R124-I127 PolarHBondContact O-N 2.93Å; I127-I130 PolarHBondContact O-N 3.47Å; I127-L131 WeakPolarHBondContact O-CB 3.45Å; I127-L131 PolarHBondContact O-N 3.32Å; I127-L246 HydrophobicContact CB-CD2 4.16Å; I127-L246 HydrophobicContact CG2-CD1 4.25Å; I127-L246 HydrophobicContact CG2-CD2 3.68Å |
| 128 | A | 83.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -49 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R124 I126 I130 L131 Y132 I165 M243 L246 | R124-A128 WeakPolarHBondContact O-CB 3.37Å; R124-A128 PolarHBondContact O-N 2.74Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 3Å; A128-I130 PolarHBondContact O-N 3.25Å; A128-L131 PolarHBondContact O-N 3.42Å; A128-Y132 WeakPolarHBondContact O-CD2 3.24Å; A128-Y132 PolarHBondContact O-N 3.17Å; A128-I165 HydrophobicContact CB-CD1 4.41Å; A128-M243 VanDerWaalsContact CA-CE 3.43Å; A128-M243 HydrophobicContact CB-CE 3.48Å; A128-M243 VanDerWaalsContact CB-CE 3.48Å; A128-M243 HydrophobicContact CB-SD 3.45Å; A128-M243 WeakPolarHBondContact CB-SD 3.33Å; A128-M243 WeakPolarHBondContact O-CE 3.29Å; A128-L246 HydrophobicContact CB-CD2 4.24Å |
| 129 | A | 87.6 | Confident | 86.6 | Confident | 12 Ų | 12 | 60.2 Ų | 60.2 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L125 I126 F133 I165 | L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.01Å; I126-A129 PolarHBondContact O-N 3.44Å; A129-F133 VanDerWaalsContact O-CB 3.28Å; A129-F133 WeakPolarHBondContact O-CB 3.31Å; A129-F133 PolarHBondContact O-N 2.92Å; A129-I165 HydrophobicContact CB-CG2 3.83Å |
| 130 | I | 90.9 | Very high | 86.8 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 177.3 | -68 | 167.5 | 0 | 0 | 0 | 110.2 | I126 I127 A128 F133 L134 | I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.48Å; I126-I130 WeakPolarHBondContact O-CG1 3.21Å; I126-I130 PolarHBondContact O-N 3.12Å; I127-I130 PolarHBondContact O-N 3.47Å; A128-I130 PolarHBondContact O-N 3.25Å; I130-F133 PolarHBondContact O-N 3.29Å; I130-L134 HydrophobicContact CG2-CD1 4.02Å; I130-L134 HydrophobicContact CG2-CG 4.41Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.29Å |
| 131 | L | 87.5 | Confident | 86.9 | Confident | 49 Ų | 49 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | -179.3 | -169.6 | 148.1 | 0 | 0 | 0 | 111.7 | I127 A128 F133 L134 F135 V239 I242 M243 | I127-L131 WeakPolarHBondContact O-CB 3.45Å; I127-L131 PolarHBondContact O-N 3.32Å; A128-L131 PolarHBondContact O-N 3.42Å; L131-F133 PolarHBondContact O-N 2.98Å; L131-L134 PolarHBondContact O-N 2.77Å; L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 PolarHBondContact O-N 2.93Å; L131-V239 HydrophobicContact CD2-CG1 3.78Å; L131-I242 HydrophobicContact CD1-CG2 4.02Å; L131-M243 HydrophobicContact CD2-CE 4.24Å |
| 132 | Y | 86.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174.3 | -86.4 | -63.1 | 0 | 0 | 0 | 112.5 | A128 F135 M136 M158 D161 V162 I165 M243 | A128-Y132 WeakPolarHBondContact O-CD2 3.24Å; A128-Y132 PolarHBondContact O-N 3.17Å; Y132-F135 PolarHBondContact O-N 3.49Å; Y132-M136 VanDerWaalsContact O-CB 3.26Å; Y132-M136 WeakPolarHBondContact O-CB 3.47Å; Y132-M136 PolarHBondContact O-N 2.84Å; Y132-M158 HydrophobicContact CD1-SD 3.74Å; Y132-M158 HydrophobicContact CE1-CE 4.14Å; Y132-M158 HydrophobicContact CE1-SD 3.76Å; Y132-D161 HydrophobicContact CE1-CB 4.34Å; Y132-V162 VanDerWaalsContact CB-CG2 3.48Å; Y132-V162 HydrophobicContact CG-CG2 4.48Å; Y132-I165 HydrophobicContact CD2-CD1 3.42Å; Y132-I165 VanDerWaalsContact CD2-CD1 3.42Å; Y132-I165 HydrophobicContact CE2-CD1 3.56Å; Y132-M243 HydrophobicContact CD2-CE 3.25Å; Y132-M243 HydrophobicContact CE2-CE 3.12Å; Y132-M243 HydrophobicContact CE2-CG 3.89Å; Y132-M243 HydrophobicContact CE2-SD 3.98Å; Y132-M243 HydrophobicContact CG-CE 4.1Å |
| 133 | F | 90.3 | Very high | 86.8 | Confident | 110 Ų | 110 | 52.8 Ų | 52.8 | 48% | 0.482 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.6 | -179 | -97.6 | 0 | 0 | 0 | 111.9 | A129 I130 L131 F135 M136 T137 | A129-F133 VanDerWaalsContact O-CB 3.28Å; A129-F133 WeakPolarHBondContact O-CB 3.31Å; A129-F133 PolarHBondContact O-N 2.92Å; I130-F133 PolarHBondContact O-N 3.29Å; L131-F133 PolarHBondContact O-N 2.98Å; F133-F135 PolarHBondContact O-N 3.32Å; F133-M136 HydrophobicContact CD2-CE 3.65Å; F133-M136 HydrophobicContact CE2-CE 3.82Å; F133-M136 PolarHBondContact O-N 2.95Å; F133-T137 HydrophobicContact CD1-CG2 4.5Å; F133-T137 HydrophobicContact CE1-CG2 4.08Å; F133-T137 HydrophobicContact CZ-CG2 4.08Å; F133-T137 WeakPolarHBondContact O-CG2 3.39Å; F133-T137 PolarHBondContact O-N 3.35Å; F133-T137 PolarHBondContact O-OG1 3.42Å |
| 134 | L | 90.3 | Very high | 86.6 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 58% | 0.576 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 176.3 | -71.6 | 173.7 | 0 | 0 | 0 | 111.5 | I130 L131 T137 G138 | I130-L134 HydrophobicContact CG2-CD1 4.02Å; I130-L134 HydrophobicContact CG2-CG 4.41Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.29Å; L131-L134 PolarHBondContact O-N 2.77Å; L134-T137 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-OG1 3.16Å; L134-G138 PolarHBondContact O-N 3.01Å; L134-G138 VanDerWaalsContact O-N 3.13Å |
| 135 | F | 86 | Confident | 86.6 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 13% | 0.127 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 178.7 | -177.4 | -115.8 | 0 | 0 | 0 | 112.2 | L131 Y132 F133 T137 G138 E139 M158 V235 V239 | L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 PolarHBondContact O-N 2.93Å; Y132-F135 PolarHBondContact O-N 3.49Å; F133-F135 PolarHBondContact O-N 3.32Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.36Å; F135-G138 WeakPolarHBondContact O-CA 3.36Å; F135-G138 PolarHBondContact O-N 2.94Å; F135-E139 HydrophobicContact CD1-CG 4.36Å; F135-E139 HydrophobicContact CD2-CG 4.46Å; F135-E139 HydrophobicContact CE1-CG 3.89Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.26Å; F135-E139 HydrophobicContact CE2-CG 3.97Å; F135-E139 HydrophobicContact CZ-CG 3.69Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.46Å; F135-E139 PolarHBondContact O-N 3.22Å; F135-M158 HydrophobicContact CD1-CG 4Å; F135-M158 HydrophobicContact CD1-SD 3.62Å; F135-M158 HydrophobicContact CE1-CG 4.08Å; F135-M158 HydrophobicContact CE1-SD 3.77Å; F135-V235 HydrophobicContact CD2-CG1 4.39Å; F135-V235 HydrophobicContact CE2-CB 4.45Å; F135-V235 HydrophobicContact CE2-CG1 3.52Å; F135-V235 HydrophobicContact CZ-CG1 4.23Å; F135-V239 HydrophobicContact CB-CG1 4.4Å; F135-V239 HydrophobicContact CD1-CG1 4.04Å; F135-V239 HydrophobicContact CD1-CG2 4.48Å; F135-V239 HydrophobicContact CD2-CG2 3.72Å; F135-V239 HydrophobicContact CE1-CG1 4.49Å; F135-V239 HydrophobicContact CE2-CG2 3.92Å; F135-V239 HydrophobicContact CG-CG1 4.08Å; F135-V239 HydrophobicContact CG-CG2 4.02Å; F135-V239 HydrophobicContact CZ-CG2 4.33Å |
| 136 | M | 89.7 | Confident | 86.3 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.4 | -44.1 | 175 | 177.2 | -90 | -71.3 | 0 | 0 | 111.5 | Y132 F133 G138 E139 V140 M158 L159 | Y132-M136 VanDerWaalsContact O-CB 3.26Å; Y132-M136 WeakPolarHBondContact O-CB 3.47Å; Y132-M136 PolarHBondContact O-N 2.84Å; F133-M136 HydrophobicContact CD2-CE 3.65Å; F133-M136 HydrophobicContact CE2-CE 3.82Å; F133-M136 PolarHBondContact O-N 2.95Å; M136-G138 VanDerWaalsContact C-N 3.29Å; M136-G138 PolarHBondContact O-N 3.34Å; M136-E139 PolarHBondContact O-N 3.4Å; M136-V140 HydrophobicContact CG-CG2 4.45Å; M136-V140 VanDerWaalsContact O-CG2 3.29Å; M136-V140 WeakPolarHBondContact O-CG2 3.43Å; M136-V140 PolarHBondContact O-N 2.89Å; M136-V140 HydrophobicContact SD-CG2 3.98Å; M136-M158 HydrophobicContact CB-CB 4.04Å; M136-M158 HydrophobicContact CG-CB 4.33Å; M136-L159 HydrophobicContact CE-CD1 4.27Å |
| 137 | T | 89.3 | Confident | 85.7 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 31% | 0.307 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.8 | -36.4 | 175.8 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | F133 L134 F135 I141 | F133-T137 HydrophobicContact CD1-CG2 4.5Å; F133-T137 HydrophobicContact CE1-CG2 4.08Å; F133-T137 HydrophobicContact CZ-CG2 4.08Å; F133-T137 WeakPolarHBondContact O-CG2 3.39Å; F133-T137 PolarHBondContact O-N 3.35Å; F133-T137 PolarHBondContact O-OG1 3.42Å; L134-T137 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-OG1 3.16Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.36Å; T137-I141 WeakPolarHBondContact O-CB 3.37Å; T137-I141 WeakPolarHBondContact O-CD1 3.19Å; T137-I141 WeakPolarHBondContact O-CG1 3.3Å; T137-I141 PolarHBondContact O-N 3.24Å |
| 138 | G | 86.3 | Confident | 85 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 42% | 0.423 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L134 F135 M136 I141 G142 | L134-G138 PolarHBondContact O-N 3.01Å; L134-G138 VanDerWaalsContact O-N 3.13Å; F135-G138 WeakPolarHBondContact O-CA 3.36Å; F135-G138 PolarHBondContact O-N 2.94Å; M136-G138 VanDerWaalsContact C-N 3.29Å; M136-G138 PolarHBondContact O-N 3.34Å; G138-I141 PolarHBondContact O-N 2.95Å; G138-G142 PolarHBondContact O-N 2.91Å |
| 139 | E | 86.6 | Confident | 84.4 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 177.1 | -67.3 | -168.2 | 139.3 | 0 | 0 | 112.8 | F135 M136 I141 G142 G143 I151 A155 M158 | F135-E139 HydrophobicContact CD1-CG 4.36Å; F135-E139 HydrophobicContact CD2-CG 4.46Å; F135-E139 HydrophobicContact CE1-CG 3.89Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.26Å; F135-E139 HydrophobicContact CE2-CG 3.97Å; F135-E139 HydrophobicContact CZ-CG 3.69Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.46Å; F135-E139 PolarHBondContact O-N 3.22Å; M136-E139 PolarHBondContact O-N 3.4Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 3.35Å; E139-G142 PolarHBondContact O-N 3.47Å; E139-G143 PolarHBondContact O-N 3.4Å; E139-I151 HydrophobicContact CB-CG2 4.31Å; E139-I151 WeakPolarHBondContact O-CG2 3.44Å; E139-A155 HydrophobicContact CB-CB 4.01Å; E139-M158 VanDerWaalsContact OE2-CG 3.32Å; E139-M158 WeakPolarHBondContact OE2-CG 3.31Å |
| 140 | V | 87.7 | Confident | 83.6 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | M136 Y144 A155 | M136-V140 HydrophobicContact CG-CG2 4.45Å; M136-V140 VanDerWaalsContact O-CG2 3.29Å; M136-V140 WeakPolarHBondContact O-CG2 3.43Å; M136-V140 PolarHBondContact O-N 2.89Å; M136-V140 HydrophobicContact SD-CG2 3.98Å; V140-Y144 WeakPolarHBondContact O-CB 3.29Å; V140-Y144 PolarHBondContact O-N 3.3Å; V140-A155 HydrophobicContact CG2-CB 3.73Å |
| 141 | I | 86.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 62.4 Ų | 62.4 | 56% | 0.564 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.8 | -45.8 | 176.6 | -67 | 164.9 | 0 | 0 | 0 | 110.3 | T137 G138 E139 G143 Y144 V145 | T137-I141 WeakPolarHBondContact O-CB 3.37Å; T137-I141 WeakPolarHBondContact O-CD1 3.19Å; T137-I141 WeakPolarHBondContact O-CG1 3.3Å; T137-I141 PolarHBondContact O-N 3.24Å; G138-I141 PolarHBondContact O-N 2.95Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 3.35Å; I141-G143 PolarHBondContact O-N 3.46Å; I141-Y144 PolarHBondContact O-N 3.16Å; I141-V145 HydrophobicContact CG2-CG2 4.38Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.33Å; I141-V145 PolarHBondContact O-N 3.37Å |
| 142 | G | 80.3 | Confident | 82.5 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G138 E139 V145 S146 | G138-G142 PolarHBondContact O-N 2.91Å; E139-G142 PolarHBondContact O-N 3.47Å; G142-V145 PolarHBondContact O-N 3.07Å; G142-S146 VanDerWaalsContact O-CB 3.28Å; G142-S146 WeakPolarHBondContact O-CB 3.35Å; G142-S146 PolarHBondContact O-N 3.16Å; G142-S146 PolarHBondContact O-OG 3.26Å |
| 143 | G | 82.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E139 I141 S146 N147 S148 | E139-G143 PolarHBondContact O-N 3.4Å; I141-G143 PolarHBondContact O-N 3.46Å; G143-S146 PolarHBondContact O-OG 3.13Å; G143-N147 WeakPolarHBondContact O-CA 3.26Å; G143-N147 PolarHBondContact O-N 2.59Å; G143-S148 PolarHBondContact O-N 2.98Å; G143-S148 VanDerWaalsContact O-N 3.17Å |
| 144 | Y | 83.7 | Confident | 81.7 | Confident | 184 Ų | 184 | 62.4 Ų | 62.4 | 72% | 0.722 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.1 | -44.4 | 176.5 | -173.7 | -95.3 | 0 | 0 | 0 | 112.4 | V140 I141 S146 N147 | V140-Y144 WeakPolarHBondContact O-CB 3.29Å; V140-Y144 PolarHBondContact O-N 3.3Å; I141-Y144 PolarHBondContact O-N 3.16Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.88Å; Y144-N147 PolarHBondContact O-N 2.98Å |
| 145 | V | 82 | Confident | 81.4 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 69% | 0.685 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.2 | -36.2 | 179.7 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | I141 G142 | I141-V145 HydrophobicContact CG2-CG2 4.38Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.33Å; I141-V145 PolarHBondContact O-N 3.37Å; G142-V145 PolarHBondContact O-N 3.07Å |
| 146 | S | 77.9 | Confident | 81.4 | Confident | 43 Ų | 43 | 60 Ų | 60 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -85.5 | -8.2 | 179.4 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | G142 G143 Y144 S148 I151 | G142-S146 VanDerWaalsContact O-CB 3.28Å; G142-S146 WeakPolarHBondContact O-CB 3.35Å; G142-S146 PolarHBondContact O-N 3.16Å; G142-S146 PolarHBondContact O-OG 3.26Å; G143-S146 PolarHBondContact O-OG 3.13Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.88Å; S146-S148 PolarHBondContact O-N 3.31Å; S146-S148 VanDerWaalsContact OG-CB 3.28Å; S146-S148 WeakPolarHBondContact OG-CB 3.47Å; S146-S148 PolarHBondContact OG-N 3.48Å; S146-I151 VanDerWaalsContact OG-CD1 3.29Å; S146-I151 WeakPolarHBondContact OG-CD1 3.16Å |
| 147 | N | 76.2 | Confident | 81.1 | Confident | 144 Ų | 144 | 59.3 Ų | 59.3 | 77% | 0.77 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 32.4 | -168 | -71.3 | -62.8 | 0 | 0 | 0 | 113.1 | G143 Y144 | G143-N147 WeakPolarHBondContact O-CA 3.26Å; G143-N147 PolarHBondContact O-N 2.59Å; Y144-N147 PolarHBondContact O-N 2.98Å |
| 148 | S | 72.9 | Confident | 80.9 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | trans | -98.1 | 112.5 | -174.1 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | G143 S146 A150 I151 M152 | G143-S148 PolarHBondContact O-N 2.98Å; G143-S148 VanDerWaalsContact O-N 3.17Å; S146-S148 PolarHBondContact O-N 3.31Å; S146-S148 VanDerWaalsContact OG-CB 3.28Å; S146-S148 WeakPolarHBondContact OG-CB 3.47Å; S146-S148 PolarHBondContact OG-N 3.48Å; S148-A150 PolarHBondContact O-N 3.47Å; S148-I151 PolarHBondContact O-N 3.01Å; S148-M152 PolarHBondContact O-N 3.4Å | ||
| 149 | L | 71.4 | Confident | 81 | Confident | 112 Ų | 112 | 59.1 Ų | 59.1 | 59% | 0.586 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.4 | -34.2 | 175.6 | -175.3 | 63.7 | 0 | 0 | 0 | 112 | I151 M152 T153 | L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.18Å; L149-M152 HydrophobicContact CD1-CE 3.49Å; L149-M152 VanDerWaalsContact CD1-CE 3.49Å; L149-M152 PolarHBondContact O-N 2.83Å; L149-T153 WeakPolarHBondContact O-CG2 3.32Å; L149-T153 PolarHBondContact O-N 3.4Å; L149-T153 PolarHBondContact O-OG1 3.38Å |
| 150 | A | 71 | Confident | 81.1 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S148 T153 D154 | S148-A150 PolarHBondContact O-N 3.47Å; A150-T153 PolarHBondContact O-OG1 3.1Å; A150-D154 PolarHBondContact O-N 3.41Å |
| 151 | I | 77.4 | Confident | 81 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.9 | -36.1 | 177.9 | -53 | 175.3 | 0 | 0 | 0 | 110.2 | E139 S146 S148 L149 T153 D154 A155 I228 T232 | E139-I151 HydrophobicContact CB-CG2 4.31Å; E139-I151 WeakPolarHBondContact O-CG2 3.44Å; S146-I151 VanDerWaalsContact OG-CD1 3.29Å; S146-I151 WeakPolarHBondContact OG-CD1 3.16Å; S148-I151 PolarHBondContact O-N 3.01Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.18Å; I151-T153 VanDerWaalsContact C-N 3.28Å; I151-T153 PolarHBondContact O-N 3.3Å; I151-D154 PolarHBondContact O-N 3.01Å; I151-A155 PolarHBondContact O-N 3.49Å; I151-I228 HydrophobicContact CD1-CG2 3.57Å; I151-I228 HydrophobicContact CG1-CG2 4.46Å; I151-T232 HydrophobicContact CD1-CG2 3.93Å; I151-T232 HydrophobicContact CG1-CG2 4.1Å; I151-T232 HydrophobicContact CG2-CG2 4.49Å |
| 152 | M | 78.4 | Confident | 81.1 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 45% | 0.453 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 175.7 | -63.5 | -161.6 | -48.4 | 0 | 0 | 112.2 | S148 L149 A155 V156 | S148-M152 PolarHBondContact O-N 3.4Å; L149-M152 HydrophobicContact CD1-CE 3.49Å; L149-M152 VanDerWaalsContact CD1-CE 3.49Å; L149-M152 PolarHBondContact O-N 2.83Å; M152-A155 PolarHBondContact O-N 3.25Å; M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 3.47Å; M152-V156 VanDerWaalsContact O-N 3.11Å |
| 153 | T | 79.3 | Confident | 81.5 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 14% | 0.135 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | L149 A150 I151 V156 H157 E212 | L149-T153 WeakPolarHBondContact O-CG2 3.32Å; L149-T153 PolarHBondContact O-N 3.4Å; L149-T153 PolarHBondContact O-OG1 3.38Å; A150-T153 PolarHBondContact O-OG1 3.1Å; I151-T153 VanDerWaalsContact C-N 3.28Å; I151-T153 PolarHBondContact O-N 3.3Å; T153-V156 PolarHBondContact O-N 3.48Å; T153-H157 PolarHBondContact O-N 2.92Å; T153-E212 VanDerWaalsContact CG2-OE1 3.22Å; T153-E212 WeakPolarHBondContact CG2-OE1 3.31Å; T153-E212 WeakPolarHBondContact CG2-OE2 3.33Å |
| 154 | D | 80 | Confident | 81.7 | Confident | 46 Ų | 46 | 52.7 Ų | 52.7 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 174.5 | -152 | 20.9 | 0 | 0 | 0 | 111.2 | A150 I151 V156 H157 M158 | A150-D154 PolarHBondContact O-N 3.41Å; I151-D154 PolarHBondContact O-N 3.01Å; D154-V156 VanDerWaalsContact C-N 3.3Å; D154-V156 PolarHBondContact O-N 3.46Å; D154-H157 WeakPolarHBondContact O-CA 3.4Å; D154-H157 VanDerWaalsContact O-CB 3.32Å; D154-H157 WeakPolarHBondContact O-CB 3.4Å; D154-H157 PolarHBondContact O-N 2.77Å; D154-M158 WeakPolarHBondContact O-CG 3.47Å; D154-M158 PolarHBondContact O-N 2.89Å |
| 155 | A | 84.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E139 V140 I151 M152 M158 L159 | E139-A155 HydrophobicContact CB-CB 4.01Å; V140-A155 HydrophobicContact CG2-CB 3.73Å; I151-A155 PolarHBondContact O-N 3.49Å; M152-A155 PolarHBondContact O-N 3.25Å; A155-M158 PolarHBondContact O-N 3.45Å; A155-L159 PolarHBondContact O-N 3.48Å |
| 156 | V | 84.6 | Confident | 82.1 | Confident | 84 Ų | 84 | 43.6 Ų | 43.6 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 173.9 | 171 | 0 | 0 | 0 | 0 | 111.2 | M152 T153 D154 L159 A160 | M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 3.47Å; M152-V156 VanDerWaalsContact O-N 3.11Å; T153-V156 PolarHBondContact O-N 3.48Å; D154-V156 VanDerWaalsContact C-N 3.3Å; D154-V156 PolarHBondContact O-N 3.46Å; V156-L159 WeakPolarHBondContact O-CB 3.27Å; V156-L159 PolarHBondContact O-N 3.3Å; V156-A160 PolarHBondContact O-N 3.11Å |
| 157 | H | 83.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 172.1 | -176.1 | 103 | 0 | 0 | 0 | 110.4 | T153 D154 L159 A160 D161 L205 D303 Q306 | T153-H157 PolarHBondContact O-N 2.92Å; D154-H157 WeakPolarHBondContact O-CA 3.4Å; D154-H157 VanDerWaalsContact O-CB 3.32Å; D154-H157 WeakPolarHBondContact O-CB 3.4Å; D154-H157 PolarHBondContact O-N 2.77Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.34Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.08Å; H157-D161 IonicContact CD2-OD2 3.27Å; H157-D161 PolarHBondContact CD2-OD2 3.28Å; H157-D161 IonicContact NE2-OD1 3.62Å; H157-D161 IonicContact NE2-OD2 3.46Å; H157-D161 PolarHBondContact O-N 3.14Å; H157-L205 HydrophobicContact CB-CD1 4.13Å; H157-L205 HydrophobicContact CB-CD2 4.19Å; H157-L205 WeakPolarHBondContact ND1-CD2 3.42Å; H157-D303 IonicContact CE1-OD1 3.96Å; H157-D303 IonicContact NE2-OD1 2.67Å; H157-D303 PolarHBondContact NE2-OD1 3.22Å; H157-Q306 PolarHBondContact CE1-NE2 3.19Å; H157-Q306 PolarHBondContact ND1-NE2 2.86Å |
| 158 | M | 86.2 | Confident | 83 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -34.8 | 176.4 | -65.5 | -70.2 | 98.7 | 0 | 0 | 113.2 | Y132 F135 M136 E139 D154 A155 D161 V162 | Y132-M158 HydrophobicContact CD1-SD 3.74Å; Y132-M158 HydrophobicContact CE1-CE 4.14Å; Y132-M158 HydrophobicContact CE1-SD 3.76Å; F135-M158 HydrophobicContact CD1-CG 4Å; F135-M158 HydrophobicContact CD1-SD 3.62Å; F135-M158 HydrophobicContact CE1-CG 4.08Å; F135-M158 HydrophobicContact CE1-SD 3.77Å; M136-M158 HydrophobicContact CB-CB 4.04Å; M136-M158 HydrophobicContact CG-CB 4.33Å; E139-M158 VanDerWaalsContact OE2-CG 3.32Å; E139-M158 WeakPolarHBondContact OE2-CG 3.31Å; D154-M158 WeakPolarHBondContact O-CG 3.47Å; D154-M158 PolarHBondContact O-N 2.89Å; A155-M158 PolarHBondContact O-N 3.45Å; M158-D161 VanDerWaalsContact CE-OD2 3.29Å; M158-D161 WeakPolarHBondContact CE-OD2 3.4Å; M158-D161 PolarHBondContact O-N 3.17Å; M158-V162 WeakPolarHBondContact O-CG2 3.41Å; M158-V162 PolarHBondContact O-N 3.26Å |
| 159 | L | 88.1 | Confident | 83.7 | Confident | 82 Ų | 82 | 39 Ų | 39 | 43% | 0.429 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.1 | 176.3 | 63.9 | 0 | 0 | 0 | 111.6 | M136 A155 V156 H157 D161 V162 V163 | M136-L159 HydrophobicContact CE-CD1 4.27Å; A155-L159 PolarHBondContact O-N 3.48Å; V156-L159 WeakPolarHBondContact O-CB 3.27Å; V156-L159 PolarHBondContact O-N 3.3Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.34Å; L159-D161 PolarHBondContact O-N 3.27Å; L159-V162 PolarHBondContact O-N 3.01Å; L159-V163 HydrophobicContact CD1-CG2 4.35Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.31Å |
| 160 | A | 87.3 | Confident | 84.5 | Confident | 21 Ų | 21 | 38.1 Ų | 38.1 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V156 H157 V163 G164 L205 | V156-A160 PolarHBondContact O-N 3.11Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.08Å; A160-V163 PolarHBondContact O-N 3.12Å; A160-G164 PolarHBondContact O-N 2.95Å; A160-L205 HydrophobicContact CB-CD2 3.85Å |
| 161 | D | 85.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -45.2 | 176.9 | -59.9 | -22.6 | 0 | 0 | 0 | 111.9 | Y132 H157 M158 L159 V163 G164 I165 H299 | Y132-D161 HydrophobicContact CE1-CB 4.34Å; H157-D161 IonicContact CD2-OD2 3.27Å; H157-D161 PolarHBondContact CD2-OD2 3.28Å; H157-D161 IonicContact NE2-OD1 3.62Å; H157-D161 IonicContact NE2-OD2 3.46Å; H157-D161 PolarHBondContact O-N 3.14Å; M158-D161 VanDerWaalsContact CE-OD2 3.29Å; M158-D161 WeakPolarHBondContact CE-OD2 3.4Å; M158-D161 PolarHBondContact O-N 3.17Å; L159-D161 PolarHBondContact O-N 3.27Å; D161-V163 VanDerWaalsContact C-N 3.33Å; D161-V163 PolarHBondContact O-N 3.27Å; D161-G164 PolarHBondContact O-N 2.66Å; D161-I165 WeakPolarHBondContact O-CG1 3.45Å; D161-I165 PolarHBondContact O-N 3.35Å; D161-H299 VanDerWaalsContact CG-NE2 3.3Å; D161-H299 IonicContact OD1-CE1 3.88Å; D161-H299 PolarHBondContact OD1-CE1 2.96Å; D161-H299 IonicContact OD1-NE2 2.66Å; D161-H299 PolarHBondContact OD1-NE2 3.31Å; D161-H299 IonicContact OD2-NE2 2.65Å |
| 162 | V | 88.4 | Confident | 85.5 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -48.6 | 173.5 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | Y132 M158 L159 G164 I165 L166 | Y132-V162 VanDerWaalsContact CB-CG2 3.48Å; Y132-V162 HydrophobicContact CG-CG2 4.48Å; M158-V162 WeakPolarHBondContact O-CG2 3.41Å; M158-V162 PolarHBondContact O-N 3.26Å; L159-V162 PolarHBondContact O-N 3.01Å; V162-G164 VanDerWaalsContact C-N 3.32Å; V162-G164 PolarHBondContact O-N 3.46Å; V162-I165 PolarHBondContact O-N 2.65Å; V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.2Å; V162-L166 VanDerWaalsContact O-CG 3.27Å; V162-L166 WeakPolarHBondContact O-CG 3.46Å; V162-L166 PolarHBondContact O-N 3.32Å |
| 163 | V | 89.5 | Confident | 85.8 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 28% | 0.279 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 179.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L159 A160 D161 I165 L166 F167 L201 | L159-V163 HydrophobicContact CD1-CG2 4.35Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.31Å; A160-V163 PolarHBondContact O-N 3.12Å; D161-V163 VanDerWaalsContact C-N 3.33Å; D161-V163 PolarHBondContact O-N 3.27Å; V163-I165 PolarHBondContact O-N 3.04Å; V163-L166 PolarHBondContact O-N 2.78Å; V163-F167 HydrophobicContact CG1-CD2 3.74Å; V163-F167 HydrophobicContact CG1-CE2 3.33Å; V163-F167 HydrophobicContact CG1-CZ 4.19Å; V163-F167 VanDerWaalsContact O-CD2 3.26Å; V163-F167 WeakPolarHBondContact O-CD2 3.08Å; V163-F167 PolarHBondContact O-N 3.33Å; V163-L201 HydrophobicContact CB-CD1 4.43Å; V163-L201 HydrophobicContact CG1-CD1 3.71Å |
| 164 | G | 86.3 | Confident | 86.1 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A160 D161 V162 S168 S198 | A160-G164 PolarHBondContact O-N 2.95Å; D161-G164 PolarHBondContact O-N 2.66Å; V162-G164 VanDerWaalsContact C-N 3.32Å; V162-G164 PolarHBondContact O-N 3.46Å; G164-S168 PolarHBondContact O-N 2.97Å; G164-S168 VanDerWaalsContact O-N 3.12Å; G164-S168 PolarHBondContact O-OG 3.37Å; G164-S198 PolarHBondContact O-OG 2.94Å |
| 165 | I | 86 | Confident | 86.3 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.3 | -39.3 | 176 | -65.6 | 167.7 | 0 | 0 | 0 | 111 | L125 A128 A129 Y132 D161 V162 V163 S168 L169 | L125-I165 HydrophobicContact CB-CG2 4.41Å; L125-I165 HydrophobicContact CD2-CG2 4.49Å; A128-I165 HydrophobicContact CB-CD1 4.41Å; A129-I165 HydrophobicContact CB-CG2 3.83Å; Y132-I165 HydrophobicContact CD2-CD1 3.42Å; Y132-I165 VanDerWaalsContact CD2-CD1 3.42Å; Y132-I165 HydrophobicContact CE2-CD1 3.56Å; D161-I165 WeakPolarHBondContact O-CG1 3.45Å; D161-I165 PolarHBondContact O-N 3.35Å; V162-I165 PolarHBondContact O-N 2.65Å; V163-I165 PolarHBondContact O-N 3.04Å; I165-S168 WeakPolarHBondContact O-CB 3.36Å; I165-S168 PolarHBondContact O-N 2.92Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.03Å |
| 166 | L | 88.7 | Confident | 86 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.8 | -71.4 | 176.9 | 0 | 0 | 0 | 111.7 | V162 V163 S168 L169 L170 | V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.2Å; V162-L166 VanDerWaalsContact O-CG 3.27Å; V162-L166 WeakPolarHBondContact O-CG 3.46Å; V162-L166 PolarHBondContact O-N 3.32Å; V163-L166 PolarHBondContact O-N 2.78Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.11Å; L166-L169 PolarHBondContact O-N 3.49Å; L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 PolarHBondContact O-N 2.86Å |
| 167 | F | 88.8 | Confident | 85.9 | Confident | 73 Ų | 73 | 44.7 Ų | 44.7 | 32% | 0.32 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 173.4 | -74.6 | -50.1 | 0 | 0 | 0 | 112.3 | V163 L170 A171 L197 L201 | V163-F167 HydrophobicContact CG1-CD2 3.74Å; V163-F167 HydrophobicContact CG1-CE2 3.33Å; V163-F167 HydrophobicContact CG1-CZ 4.19Å; V163-F167 VanDerWaalsContact O-CD2 3.26Å; V163-F167 WeakPolarHBondContact O-CD2 3.08Å; V163-F167 PolarHBondContact O-N 3.33Å; F167-L170 PolarHBondContact O-N 3.12Å; F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 3.18Å; F167-L197 HydrophobicContact CB-CD2 4.45Å; F167-L197 HydrophobicContact CD1-CD2 3.78Å; F167-L197 HydrophobicContact CD2-CD2 3.49Å; F167-L197 VanDerWaalsContact CD2-CD2 3.49Å; F167-L197 HydrophobicContact CD2-CG 3.96Å; F167-L197 HydrophobicContact CE1-CD2 3.79Å; F167-L197 HydrophobicContact CE2-CD2 3.46Å; F167-L197 VanDerWaalsContact CE2-CD2 3.46Å; F167-L197 HydrophobicContact CE2-CG 4.01Å; F167-L197 HydrophobicContact CG-CD2 3.66Å; F167-L197 HydrophobicContact CG-CG 4.48Å; F167-L197 HydrophobicContact CZ-CD2 3.63Å; F167-L201 HydrophobicContact CD2-CD1 4.18Å; F167-L201 HydrophobicContact CE2-CD1 4.12Å |
| 168 | S | 84.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | G164 I165 L166 A171 L172 | G164-S168 PolarHBondContact O-N 2.97Å; G164-S168 VanDerWaalsContact O-N 3.12Å; G164-S168 PolarHBondContact O-OG 3.37Å; I165-S168 WeakPolarHBondContact O-CB 3.36Å; I165-S168 PolarHBondContact O-N 2.92Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.11Å; S168-A171 PolarHBondContact O-N 3.22Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 3.01Å |
| 169 | L | 86.9 | Confident | 85.9 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.7 | -169.1 | 80.6 | 0 | 0 | 0 | 111.3 | L125 I126 I165 L166 L172 W173 | L125-L169 HydrophobicContact CB-CD1 4.23Å; I126-L169 HydrophobicContact CD1-CD1 4.19Å; I126-L169 HydrophobicContact CG1-CD1 3.57Å; I126-L169 HydrophobicContact CG1-CD2 4.06Å; I126-L169 HydrophobicContact CG1-CG 4.48Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.03Å; L166-L169 PolarHBondContact O-N 3.49Å; L169-L172 PolarHBondContact O-N 3.15Å; L169-W173 WeakPolarHBondContact O-CB 3.39Å; L169-W173 PolarHBondContact O-N 3.26Å |
| 170 | L | 88.3 | Confident | 85.9 | Confident | 93 Ų | 93 | 51.9 Ų | 51.9 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 176.4 | -176.1 | 65.4 | 0 | 0 | 0 | 110.3 | L166 F167 L172 W173 L174 | L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 PolarHBondContact O-N 2.86Å; F167-L170 PolarHBondContact O-N 3.12Å; L170-L172 PolarHBondContact O-N 3.47Å; L170-W173 PolarHBondContact O-N 3.22Å; L170-W173 VanDerWaalsContact O-N 3.16Å; L170-L174 HydrophobicContact CD1-CD1 3.3Å; L170-L174 HydrophobicContact CG-CD1 3.59Å; L170-L174 WeakPolarHBondContact O-CD1 3.2Å; L170-L174 PolarHBondContact O-N 3.28Å |
| 171 | A | 86.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 5% | 0.05 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | F167 S168 W173 L174 S175 L190 S194 | F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 3.18Å; S168-A171 PolarHBondContact O-N 3.22Å; A171-W173 VanDerWaalsContact C-N 3.32Å; A171-W173 PolarHBondContact O-N 3.01Å; A171-L174 PolarHBondContact O-N 3.31Å; A171-S175 WeakPolarHBondContact O-CB 3.46Å; A171-S175 PolarHBondContact O-N 3.25Å; A171-L190 HydrophobicContact CB-CB 4.27Å; A171-L190 WeakPolarHBondContact CB-O 3.37Å; A171-S194 WeakPolarHBondContact CB-OG 3.46Å |
| 172 | L | 82.9 | Confident | 86 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 175 | -73.4 | 170.5 | 0 | 0 | 0 | 111.9 | H118 V121 M122 L125 S168 L169 L170 N176 | H118-L172 PolarHBondContact CE1-O 2.9Å; H118-L172 VanDerWaalsContact CE1-O 3.25Å; H118-L172 PolarHBondContact NE2-O 2.89Å; V121-L172 HydrophobicContact CG1-CD1 3.91Å; M122-L172 HydrophobicContact CE-CB 4.04Å; L125-L172 HydrophobicContact CD1-CD1 3.38Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 3.01Å; L169-L172 PolarHBondContact O-N 3.15Å; L170-L172 PolarHBondContact O-N 3.47Å; L172-N176 PolarHBondContact O-N 3.28Å |
| 173 | W | 85 | Confident | 86 | Confident | 131 Ų | 131 | 73.4 Ų | 73.4 | 50% | 0.496 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.8 | -178.3 | 91.2 | 0 | 0 | 0 | 112.4 | M122 L169 L170 A171 | M122-W173 VanDerWaalsContact CE-CA 3.44Å; M122-W173 HydrophobicContact CE-CB 3.66Å; M122-W173 HydrophobicContact CE-CG 4.42Å; L169-W173 WeakPolarHBondContact O-CB 3.39Å; L169-W173 PolarHBondContact O-N 3.26Å; L170-W173 PolarHBondContact O-N 3.22Å; L170-W173 VanDerWaalsContact O-N 3.16Å; A171-W173 VanDerWaalsContact C-N 3.32Å; A171-W173 PolarHBondContact O-N 3.01Å |
| 174 | L | 85.8 | Confident | 85.8 | Confident | 44 Ų | 44 | 76 Ų | 76 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.3 | -36.4 | 176.8 | -84.7 | 95.9 | 0 | 0 | 0 | 112.1 | L170 A171 N176 R177 L187 L190 | L170-L174 HydrophobicContact CD1-CD1 3.3Å; L170-L174 HydrophobicContact CG-CD1 3.59Å; L170-L174 WeakPolarHBondContact O-CD1 3.2Å; L170-L174 PolarHBondContact O-N 3.28Å; A171-L174 PolarHBondContact O-N 3.31Å; L174-N176 PolarHBondContact O-N 2.89Å; L174-R177 VanDerWaalsContact O-CB 3.32Å; L174-R177 WeakPolarHBondContact O-CB 3.23Å; L174-R177 PolarHBondContact O-N 3.44Å; L174-L187 HydrophobicContact CB-CD1 4.2Å; L174-L187 HydrophobicContact CD2-CD1 3.98Å; L174-L190 HydrophobicContact CB-CD1 3.51Å; L174-L190 HydrophobicContact CD2-CD1 3.66Å; L174-L190 HydrophobicContact CG-CD1 4.16Å |
| 175 | S | 82.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 80 Ų | 80 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.6 | -25.2 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | A171 R177 H188 | A171-S175 WeakPolarHBondContact O-CB 3.46Å; A171-S175 PolarHBondContact O-N 3.25Å; S175-R177 VanDerWaalsContact C-N 3.34Å; S175-H188 PolarHBondContact O-CE1 3.14Å; S175-H188 PolarHBondContact O-ND1 3.41Å; S175-H188 VanDerWaalsContact O-ND1 3.12Å; S175-H188 PolarHBondContact OG-ND1 3.07Å |
| 176 | N | 78.7 | Confident | 85.7 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 1.3 | 177.8 | -161.3 | 33.7 | 0 | 0 | 0 | 113.9 | L172 L174 | L172-N176 PolarHBondContact O-N 3.28Å; L174-N176 PolarHBondContact O-N 2.89Å |
| 177 | R | 83.1 | Confident | 85.6 | Confident | 130 Ų | 130 | 77.4 Ų | 77.4 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -74.9 | 146.5 | 174.1 | -67.3 | -67 | -166.9 | 149.4 | 3.2 | 110.7 | L174 S175 | L174-R177 VanDerWaalsContact O-CB 3.32Å; L174-R177 WeakPolarHBondContact O-CB 3.23Å; L174-R177 PolarHBondContact O-N 3.44Å; S175-R177 VanDerWaalsContact C-N 3.34Å |
| 178 | P | 82.9 | Confident | 85.4 | Confident | 99 Ų | 99 | 75 Ų | 75 | 64% | 0.643 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 151.3 | 176.1 | 27.4 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 179 | P | 86.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 79 Ų | 79 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 145.2 | 174.9 | -23.8 | 33.7 | 0 | 0 | 0 | 112.4 | T184 | P179-T184 WeakPolarHBondContact CB-O 3.49Š|
| 180 | T | 89.1 | Confident | 85.5 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | trans | -111.5 | 170.7 | 177.9 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | R182 F183 T184 | T180-R182 VanDerWaalsContact C-N 3.3Å; T180-R182 PolarHBondContact O-N 3.48Å; T180-F183 PolarHBondContact N-O 3.25Å; T180-F183 VanDerWaalsContact N-O 3.13Å; T180-F183 CarbonylContact O-C 3.14Å; T180-F183 PolarHBondContact O-N 3.03Å; T180-F183 VanDerWaalsContact O-O 3.09Å; T180-F183 PolarHBondContact OG1-N 3.25Å; T180-F183 VanDerWaalsContact OG1-N 3.16Å; T180-T184 PolarHBondContact O-N 3.5Å | ||
| 181 | K | 87.6 | Confident | 85.3 | Confident | 209 Ų | 209 | 75.7 Ų | 75.7 | 91% | 0.909 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -61.9 | -34.5 | 178.1 | -66.8 | -174.5 | 179.6 | -178.2 | 0 | 113.3 | ||
| 182 | R | 87.1 | Confident | 85.3 | Confident | 160 Ų | 160 | 75.5 Ų | 75.5 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -78.8 | -38.5 | 175 | -60.3 | -167.8 | -154.7 | -146.4 | 5.3 | 111.9 | L23 D25 T180 | L23-R182 PolarHBondContact O-NH2 3.5Å; L23-R182 VanDerWaalsContact O-NH2 3.15Å; D25-R182 PolarHBondContact O-NH1 2.87Å; D25-R182 PolarHBondContact O-NH2 3.16Å; T180-R182 VanDerWaalsContact C-N 3.3Å; T180-R182 PolarHBondContact O-N 3.48Å |
| 183 | F | 88 | Confident | 85.5 | Confident | 117 Ų | 117 | 79.1 Ų | 79.1 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | trans | -109.7 | 81 | 179.6 | -57.8 | -72.9 | 0 | 0 | 0 | 111.1 | T180 F185 G186 L187 | T180-F183 PolarHBondContact N-O 3.25Å; T180-F183 VanDerWaalsContact N-O 3.13Å; T180-F183 CarbonylContact O-C 3.14Å; T180-F183 PolarHBondContact O-N 3.03Å; T180-F183 VanDerWaalsContact O-O 3.09Å; T180-F183 PolarHBondContact OG1-N 3.25Å; T180-F183 VanDerWaalsContact OG1-N 3.16Å; F183-F185 VanDerWaalsContact C-N 3.34Å; F183-F185 PolarHBondContact O-N 3.06Å; F183-G186 PolarHBondContact O-N 3.26Å; F183-L187 HydrophobicContact CB-CD2 4.28Å; F183-L187 HydrophobicContact CD1-CD2 4.08Å; F183-L187 HydrophobicContact CD2-CD2 3.85Å; F183-L187 HydrophobicContact CE1-CD2 4.38Å; F183-L187 HydrophobicContact CE2-CD2 4.16Å; F183-L187 HydrophobicContact CG-CD2 3.81Å; F183-L187 HydrophobicContact CZ-CD2 4.41Å | ||
| 184 | T | 86.3 | Confident | 85.5 | Confident | 99 Ų | 99 | 73.2 Ų | 73.2 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31.8 | -173 | 53 | 0 | 0 | 0 | 0 | 113.9 | P179 T180 G186 | P179-T184 WeakPolarHBondContact CB-O 3.49Å; T180-T184 PolarHBondContact O-N 3.5Å; T184-G186 VanDerWaalsContact C-N 3.32Å |
| 185 | F | 82.7 | Confident | 85.4 | Confident | 95 Ų | 95 | 71.3 Ų | 71.3 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6.5 | 174.4 | -74 | -78.6 | 0 | 0 | 0 | 113.8 | F183 H188 L387 | F183-F185 VanDerWaalsContact C-N 3.34Å; F183-F185 PolarHBondContact O-N 3.06Å; F185-H188 PolarHBondContact O-CD2 3.18Å; F185-H188 VanDerWaalsContact O-CD2 3.32Å; F185-L387 HydrophobicContact CB-CD2 4.13Å; F185-L387 HydrophobicContact CD1-CD2 4.49Å |
| 186 | G | 87.7 | Confident | 85.6 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | trans | 82 | 179.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F183 T184 H188 | F183-G186 PolarHBondContact O-N 3.26Å; T184-G186 VanDerWaalsContact C-N 3.32Å; G186-H188 VanDerWaalsContact C-N 3.26Å; G186-H188 PolarHBondContact O-N 3.07Å | ||
| 187 | L | 86.3 | Confident | 86 | Confident | 39 Ų | 39 | 72 Ų | 72 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -91.5 | 30.9 | -174.7 | -66.8 | 173.7 | 0 | 0 | 0 | 113.2 | L174 F183 R189 L190 | L174-L187 HydrophobicContact CB-CD1 4.2Å; L174-L187 HydrophobicContact CD2-CD1 3.98Å; F183-L187 HydrophobicContact CB-CD2 4.28Å; F183-L187 HydrophobicContact CD1-CD2 4.08Å; F183-L187 HydrophobicContact CD2-CD2 3.85Å; F183-L187 HydrophobicContact CE1-CD2 4.38Å; F183-L187 HydrophobicContact CE2-CD2 4.16Å; F183-L187 HydrophobicContact CG-CD2 3.81Å; F183-L187 HydrophobicContact CZ-CD2 4.41Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.49Å; L187-L190 HydrophobicContact CB-CD1 3.85Å; L187-L190 HydrophobicContact CB-CG 4.24Å; L187-L190 HydrophobicContact CD1-CD1 4.21Å; L187-L190 HydrophobicContact CD2-CD1 4.28Å; L187-L190 HydrophobicContact CG-CD1 4.35Å; L187-L190 WeakPolarHBondContact O-CB 3.28Å; L187-L190 PolarHBondContact O-N 3.07Å |
| 188 | H | 84.4 | Confident | 86.1 | Confident | 24 Ų | 24 | 66.7 Ų | 66.7 | 11% | 0.111 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -33.6 | -175.3 | -65 | -45 | 0 | 0 | 0 | 113.1 | S175 F185 G186 L190 E191 L387 T388 K391 | S175-H188 PolarHBondContact O-CE1 3.14Å; S175-H188 PolarHBondContact O-ND1 3.41Å; S175-H188 VanDerWaalsContact O-ND1 3.12Å; S175-H188 PolarHBondContact OG-ND1 3.07Å; F185-H188 PolarHBondContact O-CD2 3.18Å; F185-H188 VanDerWaalsContact O-CD2 3.32Å; G186-H188 VanDerWaalsContact C-N 3.26Å; G186-H188 PolarHBondContact O-N 3.07Å; H188-L190 PolarHBondContact O-N 2.79Å; H188-L190 VanDerWaalsContact O-N 3.12Å; H188-E191 PolarHBondContact O-N 2.92Å; H188-L387 HydrophobicContact CB-CD2 4.25Å; H188-T388 HydrophobicContact CB-CG2 3.81Å; H188-T388 WeakPolarHBondContact O-CG2 3.28Å; H188-K391 PolarHBondContact CE1-NZ 3.48Å; H188-K391 PolarHBondContact ND1-NZ 3.02Å; H188-K391 PolarHBondContact NE2-NZ 3.05Å |
| 189 | R | 87.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.2 | 177.3 | -67.8 | -171.3 | -179.2 | -171.5 | 3.4 | 113.4 | L187 E191 V192 V193 E355 L387 | L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.49Å; R189-E191 PolarHBondContact O-N 3.4Å; R189-V192 WeakPolarHBondContact O-CB 3.39Å; R189-V192 PolarHBondContact O-N 2.85Å; R189-V192 VanDerWaalsContact O-N 3.07Å; R189-V193 WeakPolarHBondContact O-CG2 3.47Å; R189-V193 PolarHBondContact O-N 3.04Å; R189-V193 VanDerWaalsContact O-N 3.08Å; R189-E355 IonicContact CZ-OE1 2.85Å; R189-E355 IonicContact NH1-OE1 3.52Å; R189-E355 PolarHBondContact NH1-OE1 3.36Å; R189-E355 IonicContact NH2-OE1 2.9Å; R189-E355 PolarHBondContact NH2-OE1 2.99Å; R189-L387 HydrophobicContact CG-CG 4.4Å |
| 190 | L | 86.3 | Confident | 86.4 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -28.6 | 176.3 | -71.7 | -178.9 | 0 | 0 | 0 | 113 | A171 L174 L187 H188 V192 V193 S194 | A171-L190 HydrophobicContact CB-CB 4.27Å; A171-L190 WeakPolarHBondContact CB-O 3.37Å; L174-L190 HydrophobicContact CB-CD1 3.51Å; L174-L190 HydrophobicContact CD2-CD1 3.66Å; L174-L190 HydrophobicContact CG-CD1 4.16Å; L187-L190 HydrophobicContact CB-CD1 3.85Å; L187-L190 HydrophobicContact CB-CG 4.24Å; L187-L190 HydrophobicContact CD1-CD1 4.21Å; L187-L190 HydrophobicContact CD2-CD1 4.28Å; L187-L190 HydrophobicContact CG-CD1 4.35Å; L187-L190 WeakPolarHBondContact O-CB 3.28Å; L187-L190 PolarHBondContact O-N 3.07Å; H188-L190 PolarHBondContact O-N 2.79Å; H188-L190 VanDerWaalsContact O-N 3.12Å; L190-V192 PolarHBondContact O-N 3.17Å; L190-V193 PolarHBondContact O-N 3.46Å; L190-S194 PolarHBondContact O-N 2.81Å; L190-S194 PolarHBondContact O-OG 3.04Å |
| 191 | E | 83.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -42 | 173.8 | -174.4 | -179.3 | 173.6 | 0 | 0 | 111.1 | H188 R189 S194 A195 S290 L291 A292 | H188-E191 PolarHBondContact O-N 2.92Å; R189-E191 PolarHBondContact O-N 3.4Å; E191-S194 PolarHBondContact O-OG 2.99Å; E191-A195 PolarHBondContact O-N 3.37Å; E191-A195 VanDerWaalsContact O-N 3.14Å; E191-S290 WeakPolarHBondContact OE1-CB 3.32Å; E191-S290 PolarHBondContact OE1-OG 3.47Å; E191-L291 PolarHBondContact OE1-N 2.89Å; E191-A292 HydrophobicContact CG-CB 4.14Å; E191-A292 PolarHBondContact OE1-N 3.35Å |
| 192 | V | 86.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.2 | -43.9 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | R189 L190 S194 A195 V196 T349 I352 V353 T388 | R189-V192 WeakPolarHBondContact O-CB 3.39Å; R189-V192 PolarHBondContact O-N 2.85Å; R189-V192 VanDerWaalsContact O-N 3.07Å; L190-V192 PolarHBondContact O-N 3.17Å; V192-S194 PolarHBondContact O-N 3.26Å; V192-A195 WeakPolarHBondContact O-CB 3.5Å; V192-A195 PolarHBondContact O-N 3.08Å; V192-V196 PolarHBondContact O-N 3.19Å; V192-T349 HydrophobicContact CG1-CG2 3.59Å; V192-I352 HydrophobicContact CB-CG2 4.49Å; V192-I352 HydrophobicContact CG1-CB 4.14Å; V192-I352 HydrophobicContact CG1-CG2 4.06Å; V192-I352 HydrophobicContact CG2-CB 4.49Å; V192-I352 HydrophobicContact CG2-CD1 4.42Å; V192-I352 HydrophobicContact CG2-CG2 3.72Å; V192-V353 HydrophobicContact CG1-CG2 3.81Å; V192-T388 HydrophobicContact CG2-CG2 4.46Å |
| 193 | V | 86.9 | Confident | 86.3 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 177 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | R189 L190 A195 V196 L197 | R189-V193 WeakPolarHBondContact O-CG2 3.47Å; R189-V193 PolarHBondContact O-N 3.04Å; R189-V193 VanDerWaalsContact O-N 3.08Å; L190-V193 PolarHBondContact O-N 3.46Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.12Å; V193-V196 PolarHBondContact O-N 2.87Å; V193-L197 PolarHBondContact O-N 3.45Å |
| 194 | S | 86.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 175.2 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | A171 L190 E191 V192 V196 L197 S198 | A171-S194 WeakPolarHBondContact CB-OG 3.46Å; L190-S194 PolarHBondContact O-N 2.81Å; L190-S194 PolarHBondContact O-OG 3.04Å; E191-S194 PolarHBondContact O-OG 2.99Å; V192-S194 PolarHBondContact O-N 3.26Å; S194-V196 PolarHBondContact O-N 3.4Å; S194-L197 PolarHBondContact O-N 3.15Å; S194-S198 WeakPolarHBondContact O-CB 3.41Å; S194-S198 PolarHBondContact O-N 2.87Å; S194-S198 PolarHBondContact O-OG 3.44Å; S194-S198 VanDerWaalsContact O-OG 3.05Å |
| 195 | A | 83.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E191 V192 V193 V199 L291 | E191-A195 PolarHBondContact O-N 3.37Å; E191-A195 VanDerWaalsContact O-N 3.14Å; V192-A195 WeakPolarHBondContact O-CB 3.5Å; V192-A195 PolarHBondContact O-N 3.08Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.12Å; A195-V199 VanDerWaalsContact O-CG2 3.32Å; A195-V199 WeakPolarHBondContact O-CG2 3.11Å; A195-V199 PolarHBondContact O-N 3.04Å; A195-V199 VanDerWaalsContact O-N 3.07Å; A195-L291 HydrophobicContact CB-CD2 4.44Å |
| 196 | V | 86.4 | Confident | 86.8 | Confident | 70 Ų | 70 | 40 Ų | 40 | 42% | 0.424 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 172.3 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | V192 V193 S194 S198 V199 L200 T349 | V192-V196 PolarHBondContact O-N 3.19Å; V193-V196 PolarHBondContact O-N 2.87Å; S194-V196 PolarHBondContact O-N 3.4Å; V196-S198 PolarHBondContact O-N 2.89Å; V196-V199 PolarHBondContact O-N 3.49Å; V196-L200 WeakPolarHBondContact O-CB 3.12Å; V196-L200 PolarHBondContact O-N 3.47Å; V196-T349 HydrophobicContact CB-CG2 4.46Å; V196-T349 HydrophobicContact CG2-CG2 3.13Å |
| 197 | L | 86.6 | Confident | 87 | Confident | 58 Ų | 58 | 41.2 Ų | 41.2 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -43.4 | -176.7 | -175.7 | 59.8 | 0 | 0 | 0 | 111.5 | F167 V193 S194 V199 L200 L201 | F167-L197 HydrophobicContact CB-CD2 4.45Å; F167-L197 HydrophobicContact CD1-CD2 3.78Å; F167-L197 HydrophobicContact CD2-CD2 3.49Å; F167-L197 VanDerWaalsContact CD2-CD2 3.49Å; F167-L197 HydrophobicContact CD2-CG 3.96Å; F167-L197 HydrophobicContact CE1-CD2 3.79Å; F167-L197 HydrophobicContact CE2-CD2 3.46Å; F167-L197 VanDerWaalsContact CE2-CD2 3.46Å; F167-L197 HydrophobicContact CE2-CG 4.01Å; F167-L197 HydrophobicContact CG-CD2 3.66Å; F167-L197 HydrophobicContact CG-CG 4.48Å; F167-L197 HydrophobicContact CZ-CD2 3.63Å; V193-L197 PolarHBondContact O-N 3.45Å; S194-L197 PolarHBondContact O-N 3.15Å; L197-V199 PolarHBondContact O-N 2.78Å; L197-L200 PolarHBondContact O-N 2.75Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.35Å |
| 198 | S | 85.6 | Confident | 87.1 | Confident | 19 Ų | 19 | 42.7 Ų | 42.7 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | G164 S194 V196 L200 L201 I202 | G164-S198 PolarHBondContact O-OG 2.94Å; S194-S198 WeakPolarHBondContact O-CB 3.41Å; S194-S198 PolarHBondContact O-N 2.87Å; S194-S198 PolarHBondContact O-OG 3.44Å; S194-S198 VanDerWaalsContact O-OG 3.05Å; V196-S198 PolarHBondContact O-N 2.89Å; S198-L200 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 2.76Å; S198-L201 PolarHBondContact O-N 3.02Å; S198-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 PolarHBondContact O-N 2.98Å; S198-I202 VanDerWaalsContact O-N 3.12Å |
| 199 | V | 86.1 | Confident | 87.2 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 177.9 | 176.9 | 0 | 0 | 0 | 0 | 112.1 | A195 V196 L197 L201 I202 Y203 T342 I345 I346 | A195-V199 VanDerWaalsContact O-CG2 3.32Å; A195-V199 WeakPolarHBondContact O-CG2 3.11Å; A195-V199 PolarHBondContact O-N 3.04Å; A195-V199 VanDerWaalsContact O-N 3.07Å; V196-V199 PolarHBondContact O-N 3.49Å; L197-V199 PolarHBondContact O-N 2.78Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-I202 WeakPolarHBondContact O-CB 3.4Å; V199-I202 PolarHBondContact O-N 3.28Å; V199-Y203 HydrophobicContact CG1-CD1 4.42Å; V199-Y203 HydrophobicContact CG1-CE1 4.14Å; V199-Y203 PolarHBondContact O-N 3.43Å; V199-Y203 VanDerWaalsContact O-N 3.07Å; V199-T342 HydrophobicContact CG1-CG2 4.45Å; V199-I345 HydrophobicContact CG2-CG2 4Å; V199-I346 HydrophobicContact CB-CG1 4.47Å; V199-I346 HydrophobicContact CG1-CD1 3.63Å; V199-I346 HydrophobicContact CG1-CG1 3.59Å |
| 200 | L | 89 | Confident | 87.3 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.5 | -179.4 | 63.8 | 0 | 0 | 0 | 111.7 | V196 L197 S198 I202 Y203 I204 | V196-L200 WeakPolarHBondContact O-CB 3.12Å; V196-L200 PolarHBondContact O-N 3.47Å; L197-L200 PolarHBondContact O-N 2.75Å; S198-L200 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 2.76Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 2.75Å; L200-Y203 PolarHBondContact O-N 3.2Å; L200-Y203 VanDerWaalsContact O-N 3.15Å; L200-I204 HydrophobicContact CG-CD1 4.19Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 3.43Å |
| 201 | L | 87 | Confident | 87.5 | Confident | 44 Ų | 44 | 46 Ų | 46 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.1 | -70.1 | 172.7 | 0 | 0 | 0 | 111.7 | V163 F167 L197 S198 V199 Y203 I204 L205 | V163-L201 HydrophobicContact CB-CD1 4.43Å; V163-L201 HydrophobicContact CG1-CD1 3.71Å; F167-L201 HydrophobicContact CD2-CD1 4.18Å; F167-L201 HydrophobicContact CE2-CD1 4.12Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.35Å; S198-L201 PolarHBondContact O-N 3.02Å; V199-L201 VanDerWaalsContact C-N 3.35Å; L201-Y203 VanDerWaalsContact C-N 3.27Å; L201-Y203 PolarHBondContact O-N 2.68Å; L201-I204 PolarHBondContact O-N 2.94Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 PolarHBondContact O-N 2.82Å |
| 202 | I | 85.1 | Confident | 87.6 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 174.4 | -63.4 | 166.6 | 0 | 0 | 0 | 110.8 | S198 V199 L200 L205 T206 H299 V338 | S198-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 PolarHBondContact O-N 2.98Å; S198-I202 VanDerWaalsContact O-N 3.12Å; V199-I202 WeakPolarHBondContact O-CB 3.4Å; V199-I202 PolarHBondContact O-N 3.28Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 2.75Å; I202-L205 PolarHBondContact O-N 3.5Å; I202-T206 VanDerWaalsContact O-CB 3.29Å; I202-T206 WeakPolarHBondContact O-CB 3.46Å; I202-T206 PolarHBondContact O-N 3.04Å; I202-T206 PolarHBondContact O-OG1 3.39Å; I202-H299 WeakPolarHBondContact CD1-ND1 3.12Å; I202-V338 HydrophobicContact CG2-CG1 3.46Å; I202-V338 VanDerWaalsContact CG2-CG1 3.46Å |
| 203 | Y | 90.2 | Very high | 87.7 | Confident | 67 Ų | 67 | 47.6 Ų | 47.6 | 26% | 0.263 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | -179.6 | -79.5 | 13.8 | 0 | 0 | 0 | 112.4 | V199 L200 L201 G207 L339 T342 I346 | V199-Y203 HydrophobicContact CG1-CD1 4.42Å; V199-Y203 HydrophobicContact CG1-CE1 4.14Å; V199-Y203 PolarHBondContact O-N 3.43Å; V199-Y203 VanDerWaalsContact O-N 3.07Å; L200-Y203 PolarHBondContact O-N 3.2Å; L200-Y203 VanDerWaalsContact O-N 3.15Å; L201-Y203 VanDerWaalsContact C-N 3.27Å; L201-Y203 PolarHBondContact O-N 2.68Å; Y203-G207 PolarHBondContact O-N 2.96Å; Y203-L339 HydrophobicContact CD1-CD2 4.14Å; Y203-L339 HydrophobicContact CE1-CD2 3.76Å; Y203-L339 HydrophobicContact CE2-CD2 4.36Å; Y203-T342 HydrophobicContact CE1-CG2 4.26Å; Y203-T342 WeakPolarHBondContact CE1-OG1 3.29Å; Y203-T342 PolarHBondContact OH-OG1 3.05Å; Y203-I346 HydrophobicContact CE1-CD1 4.48Å; Y203-I346 HydrophobicContact CE2-CD1 3.54Å; Y203-I346 VanDerWaalsContact OH-CD1 3.23Å; Y203-I346 WeakPolarHBondContact OH-CD1 3.22Å |
| 204 | I | 91.1 | Very high | 87.9 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -49.8 | 174.3 | -67.1 | 166.7 | 0 | 0 | 0 | 109.5 | L200 L201 G207 V208 | L200-I204 HydrophobicContact CG-CD1 4.19Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 3.43Å; L201-I204 PolarHBondContact O-N 2.94Å; I204-G207 PolarHBondContact O-N 3.21Å; I204-V208 WeakPolarHBondContact O-CG2 3.35Å; I204-V208 PolarHBondContact O-N 3.27Å |
| 205 | L | 88.4 | Confident | 87.9 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 179.3 | -179.5 | 61.5 | 0 | 0 | 0 | 112.4 | H157 A160 L201 I202 G207 V208 L209 | H157-L205 HydrophobicContact CB-CD1 4.13Å; H157-L205 HydrophobicContact CB-CD2 4.19Å; H157-L205 WeakPolarHBondContact ND1-CD2 3.42Å; A160-L205 HydrophobicContact CB-CD2 3.85Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 PolarHBondContact O-N 2.82Å; I202-L205 PolarHBondContact O-N 3.5Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.95Å; L205-V208 PolarHBondContact O-N 3.48Å; L205-V208 VanDerWaalsContact O-N 3.13Å; L205-L209 HydrophobicContact CD1-CG 4.49Å; L205-L209 HydrophobicContact CG-CD1 4.36Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 2.98Å |
| 206 | T | 88.9 | Confident | 87.9 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 175.4 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | I202 L209 L210 | I202-T206 VanDerWaalsContact O-CB 3.29Å; I202-T206 WeakPolarHBondContact O-CB 3.46Å; I202-T206 PolarHBondContact O-N 3.04Å; I202-T206 PolarHBondContact O-OG1 3.39Å; T206-L209 PolarHBondContact O-N 2.99Å; T206-L210 HydrophobicContact CG2-CD1 4.24Å; T206-L210 HydrophobicContact CG2-CG 4.49Å; T206-L210 WeakPolarHBondContact O-CB 3.22Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.45Å |
| 207 | G | 91.4 | Very high | 87.9 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y203 I204 L205 Y211 | Y203-G207 PolarHBondContact O-N 2.96Å; I204-G207 PolarHBondContact O-N 3.21Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.95Å; G207-Y211 WeakPolarHBondContact O-CB 3.33Å; G207-Y211 PolarHBondContact O-N 3.42Å |
| 208 | V | 88.9 | Confident | 88 | Confident | 70 Ų | 70 | 54 Ų | 54 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 111 | I204 L205 L210 Y211 E212 | I204-V208 WeakPolarHBondContact O-CG2 3.35Å; I204-V208 PolarHBondContact O-N 3.27Å; L205-V208 PolarHBondContact O-N 3.48Å; L205-V208 VanDerWaalsContact O-N 3.13Å; V208-L210 PolarHBondContact O-N 2.89Å; V208-Y211 WeakPolarHBondContact O-CB 3.35Å; V208-Y211 PolarHBondContact O-N 2.72Å; V208-E212 PolarHBondContact O-N 2.82Å |
| 209 | L | 86.3 | Confident | 87.8 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 178.6 | -67.8 | 177.1 | 0 | 0 | 0 | 112.4 | L205 T206 E212 A213 T331 | L205-L209 HydrophobicContact CD1-CG 4.49Å; L205-L209 HydrophobicContact CG-CD1 4.36Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 2.98Å; T206-L209 PolarHBondContact O-N 2.99Å; L209-E212 PolarHBondContact O-N 3.48Å; L209-A213 WeakPolarHBondContact O-CB 3.35Å; L209-A213 PolarHBondContact O-N 3.44Å; L209-T331 HydrophobicContact CB-CG2 4.14Å |
| 210 | L | 90.1 | Very high | 87.2 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 173.3 | -80.9 | 176.1 | 0 | 0 | 0 | 111.9 | T206 V208 E212 A213 V214 Y332 S335 | T206-L210 HydrophobicContact CG2-CD1 4.24Å; T206-L210 HydrophobicContact CG2-CG 4.49Å; T206-L210 WeakPolarHBondContact O-CB 3.22Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.45Å; V208-L210 PolarHBondContact O-N 2.89Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 2.94Å; L210-A213 PolarHBondContact O-N 3.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.19Å; L210-Y332 HydrophobicContact CD2-CD1 3.57Å; L210-Y332 HydrophobicContact CD2-CE1 4.08Å; L210-S335 WeakPolarHBondContact CD2-OG 3.21Å; L210-S335 WeakPolarHBondContact CG-OG 3.48Å |
| 211 | Y | 90.3 | Very high | 85.9 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 176.7 | 175.8 | -100 | 0 | 0 | 0 | 111.3 | G207 V208 V214 L215 | G207-Y211 WeakPolarHBondContact O-CB 3.33Å; G207-Y211 PolarHBondContact O-N 3.42Å; V208-Y211 WeakPolarHBondContact O-CB 3.35Å; V208-Y211 PolarHBondContact O-N 2.72Å; Y211-V214 PolarHBondContact O-N 2.82Å; Y211-L215 PolarHBondContact O-N 3.44Å |
| 212 | E | 86.2 | Confident | 84.9 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 174 | -75.6 | -158.4 | -167.8 | 0 | 0 | 113.1 | T153 V208 L209 L210 V214 L215 R216 | T153-E212 VanDerWaalsContact CG2-OE1 3.22Å; T153-E212 WeakPolarHBondContact CG2-OE1 3.31Å; T153-E212 WeakPolarHBondContact CG2-OE2 3.33Å; V208-E212 PolarHBondContact O-N 2.82Å; L209-E212 PolarHBondContact O-N 3.48Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 2.94Å; E212-V214 VanDerWaalsContact C-N 3.3Å; E212-V214 PolarHBondContact O-N 3.38Å; E212-L215 WeakPolarHBondContact O-CB 3.46Å; E212-L215 PolarHBondContact O-N 3.06Å; E212-R216 WeakPolarHBondContact O-CG 3.13Å; E212-R216 PolarHBondContact O-N 3.12Å; E212-R216 IonicContact OE2-CZ 3.52Å; E212-R216 IonicContact OE2-NH2 3.35Å; E212-R216 PolarHBondContact OE2-NH2 3.31Å |
| 213 | A | 87.3 | Confident | 83.7 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L209 L210 R216 T217 P328 T331 Y332 | L209-A213 WeakPolarHBondContact O-CB 3.35Å; L209-A213 PolarHBondContact O-N 3.44Å; L210-A213 PolarHBondContact O-N 3.35Å; A213-R216 PolarHBondContact O-N 2.9Å; A213-T217 WeakPolarHBondContact O-CB 3.13Å; A213-T217 PolarHBondContact O-N 3.13Å; A213-T217 PolarHBondContact O-OG1 2.9Å; A213-P328 HydrophobicContact CB-CB 4.27Å; A213-T331 HydrophobicContact CB-CG2 3.97Å; A213-Y332 HydrophobicContact CB-CD1 4.5Å; A213-Y332 HydrophobicContact CB-CE1 3.92Å; A213-Y332 PolarHBondContact O-OH 3.34Å |
| 214 | V | 90.6 | Very high | 82.5 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 173.7 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | L210 Y211 E212 R216 T217 V218 Y332 | L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.19Å; Y211-V214 PolarHBondContact O-N 2.82Å; E212-V214 VanDerWaalsContact C-N 3.3Å; E212-V214 PolarHBondContact O-N 3.38Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.15Å; V214-T217 PolarHBondContact O-N 2.98Å; V214-T217 VanDerWaalsContact O-N 3.15Å; V214-V218 HydrophobicContact CG1-CG2 4.45Å; V214-V218 WeakPolarHBondContact O-CG2 3.28Å; V214-V218 PolarHBondContact O-N 2.93Å; V214-Y332 VanDerWaalsContact CA-OH 3.27Å; V214-Y332 WeakPolarHBondContact CA-OH 3.47Å; V214-Y332 HydrophobicContact CG2-CE1 3.99Å; V214-Y332 WeakPolarHBondContact CG2-OH 3.29Å; V214-Y332 PolarHBondContact N-OH 3.4Å |
| 215 | L | 86.9 | Confident | 81.6 | Confident | 79 Ų | 79 | 71 Ų | 71 | 41% | 0.414 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 178.8 | -170.3 | 73.4 | 0 | 0 | 0 | 111.4 | Y211 E212 V218 H219 | Y211-L215 PolarHBondContact O-N 3.44Å; E212-L215 WeakPolarHBondContact O-CB 3.46Å; E212-L215 PolarHBondContact O-N 3.06Å; L215-V218 PolarHBondContact O-N 3.37Å; L215-H219 WeakPolarHBondContact CD1-CE1 3.47Å; L215-H219 VanDerWaalsContact CD1-ND1 3.32Å; L215-H219 WeakPolarHBondContact CD1-ND1 3.47Å; L215-H219 PolarHBondContact O-N 3.38Å; L215-H219 PolarHBondContact O-ND1 3.43Å; L215-H219 VanDerWaalsContact O-ND1 3.1Å |
| 216 | R | 82.9 | Confident | 80.9 | Confident | 49 Ų | 49 | 70.7 Ų | 70.7 | 19% | 0.185 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 174.5 | -70.5 | 177.3 | -163.3 | -179.3 | 6.6 | 110.6 | E212 A213 V214 V218 Q220 F222 D327 P328 | E212-R216 WeakPolarHBondContact O-CG 3.13Å; E212-R216 PolarHBondContact O-N 3.12Å; E212-R216 IonicContact OE2-CZ 3.52Å; E212-R216 IonicContact OE2-NH2 3.35Å; E212-R216 PolarHBondContact OE2-NH2 3.31Å; A213-R216 PolarHBondContact O-N 2.9Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.15Å; R216-V218 VanDerWaalsContact C-N 3.26Å; R216-V218 PolarHBondContact O-N 3.12Å; R216-Q220 PolarHBondContact O-N 3.4Å; R216-F222 VanDerWaalsContact C-CZ 3.49Å; R216-F222 HydrophobicContact CB-CE1 3.76Å; R216-F222 HydrophobicContact CB-CE2 4.28Å; R216-F222 HydrophobicContact CB-CZ 3.62Å; R216-F222 HydrophobicContact CG-CD1 4.37Å; R216-F222 HydrophobicContact CG-CE1 4.1Å; R216-F222 HydrophobicContact CG-CZ 4.24Å; R216-F222 WeakPolarHBondContact O-CE1 3.43Å; R216-F222 WeakPolarHBondContact O-CZ 3.42Å; R216-D327 IonicContact NH1-OD2 2.9Å; R216-D327 PolarHBondContact NH1-OD2 2.87Å; R216-P328 HydrophobicContact CB-CG 4.04Å |
| 217 | T | 87.2 | Confident | 80.6 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.1 | -39 | -179.6 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | A213 V214 L325 P328 Y332 | A213-T217 WeakPolarHBondContact O-CB 3.13Å; A213-T217 PolarHBondContact O-N 3.13Å; A213-T217 PolarHBondContact O-OG1 2.9Å; V214-T217 PolarHBondContact O-N 2.98Å; V214-T217 VanDerWaalsContact O-N 3.15Å; T217-L325 HydrophobicContact CG2-CD2 4.16Å; T217-P328 WeakPolarHBondContact OG1-CB 3.32Å; T217-Y332 PolarHBondContact OG1-OH 3.3Å |
| 218 | V | 88 | Confident | 80 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -81.1 | -46.6 | -176.1 | 174.4 | 0 | 0 | 0 | 0 | 113 | V214 L215 R216 | V214-V218 HydrophobicContact CG1-CG2 4.45Å; V214-V218 WeakPolarHBondContact O-CG2 3.28Å; V214-V218 PolarHBondContact O-N 2.93Å; L215-V218 PolarHBondContact O-N 3.37Å; R216-V218 VanDerWaalsContact C-N 3.26Å; R216-V218 PolarHBondContact O-N 3.12Å |
| 219 | H | 82.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -85.4 | -24.6 | -169.8 | -68 | 83 | 0 | 0 | 0 | 113.7 | L215 D221 | L215-H219 WeakPolarHBondContact CD1-CE1 3.47Å; L215-H219 VanDerWaalsContact CD1-ND1 3.32Å; L215-H219 WeakPolarHBondContact CD1-ND1 3.47Å; L215-H219 PolarHBondContact O-N 3.38Å; L215-H219 PolarHBondContact O-ND1 3.43Å; L215-H219 VanDerWaalsContact O-ND1 3.1Å; H219-D221 PolarHBondContact O-N 3.05Å |
| 220 | Q | 72.3 | Confident | 79.6 | Confident | 98 Ų | 98 | 73 Ų | 73 | 46% | 0.458 | 37% | 0.373 | S | S | . | . | trans | 49 | -0.8 | 179.7 | -59.8 | -136.8 | -23.8 | 0 | 0 | 118.4 | R216 F222 | R216-Q220 PolarHBondContact O-N 3.4Å; Q220-F222 VanDerWaalsContact CA-CE1 3.44Å; Q220-F222 PolarHBondContact O-N 2.6Å | ||
| 221 | D | 62.6 | Low | 79.5 | Confident | 159 Ų | 159 | 75.9 Ų | 75.9 | 85% | 0.85 | 39% | 0.388 | S | S | * | . | trans | -90.1 | 66.7 | -178.7 | -86.4 | -19.5 | 0 | 0 | 0 | 112.1 | H219 | H219-D221 PolarHBondContact O-N 3.05Š| ||
| 222 | F | 65.1 | Low | 79 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | trans | -134.2 | 123.7 | 171.5 | 26.9 | -83.1 | 0 | 0 | 0 | 110.5 | R216 Q220 I224 K324 | R216-F222 VanDerWaalsContact C-CZ 3.49Å; R216-F222 HydrophobicContact CB-CE1 3.76Å; R216-F222 HydrophobicContact CB-CE2 4.28Å; R216-F222 HydrophobicContact CB-CZ 3.62Å; R216-F222 HydrophobicContact CG-CD1 4.37Å; R216-F222 HydrophobicContact CG-CE1 4.1Å; R216-F222 HydrophobicContact CG-CZ 4.24Å; R216-F222 WeakPolarHBondContact O-CE1 3.43Å; R216-F222 WeakPolarHBondContact O-CZ 3.42Å; Q220-F222 VanDerWaalsContact CA-CE1 3.44Å; Q220-F222 PolarHBondContact O-N 2.6Å; F222-I224 HydrophobicContact CB-CG1 4.3Å; F222-I224 HydrophobicContact CD2-CD1 3.93Å; F222-I224 HydrophobicContact CD2-CG1 4.33Å; F222-K324 PolarHBondContact O-NZ 2.9Å | ||
| 223 | D | 60.2 | Low | 79 | Confident | 163 Ų | 163 | 67.8 Ų | 67.8 | 87% | 0.872 | 36% | 0.359 | S | S | * | . | trans | -94.2 | 101.8 | 166.8 | -126.8 | -8.5 | 0 | 0 | 0 | 106.9 | ||||
| 224 | I | 65.6 | Low | 79.1 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | trans | -97 | 122.7 | 178.7 | -59.2 | 171.4 | 0 | 0 | 0 | 106.3 | F222 G226 M229 | F222-I224 HydrophobicContact CB-CG1 4.3Å; F222-I224 HydrophobicContact CD2-CD1 3.93Å; F222-I224 HydrophobicContact CD2-CG1 4.33Å; I224-G226 VanDerWaalsContact C-N 3.35Å; I224-G226 PolarHBondContact O-N 3.45Å; I224-M229 HydrophobicContact CG2-CB 4.1Å; I224-M229 HydrophobicContact CG2-CG 4.46Å; I224-M229 HydrophobicContact CG2-SD 3.84Å | ||
| 225 | D | 71.3 | Confident | 78.9 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | trans | -67.6 | 97.6 | 167.9 | -169.6 | -27.2 | 0 | 0 | 0 | 108.7 | D227 I228 M229 | D225-D227 PolarHBondContact O-N 3.24Å; D225-D227 WeakPolarHBondContact OD1-CB 3.35Å; D225-D227 PolarHBondContact OD1-N 3.33Å; D225-D227 VanDerWaalsContact OD1-N 3.09Å; D225-I228 HydrophobicContact CB-CB 4.22Å; D225-I228 HydrophobicContact CB-CD1 3.94Å; D225-I228 HydrophobicContact CB-CG1 4.09Å; D225-I228 PolarHBondContact O-N 3.44Å; D225-I228 PolarHBondContact OD1-N 3.42Å; D225-I228 VanDerWaalsContact OD2-CD1 3.32Å; D225-I228 WeakPolarHBondContact OD2-CD1 3.42Å; D225-M229 PolarHBondContact O-N 2.91Å | ||
| 226 | G | 73.6 | Confident | 78.8 | Confident | 10 Ų | 10 | 66 Ų | 66 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.8 | -24.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I224 L230 | I224-G226 VanDerWaalsContact C-N 3.35Å; I224-G226 PolarHBondContact O-N 3.45Å; G226-L230 WeakPolarHBondContact O-CB 3.48Å; G226-L230 PolarHBondContact O-N 3.06Å |
| 227 | D | 82.6 | Confident | 79 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 176.3 | -77.1 | -40.2 | 0 | 0 | 0 | 110.7 | D225 L230 I231 R318 | D225-D227 PolarHBondContact O-N 3.24Å; D225-D227 WeakPolarHBondContact OD1-CB 3.35Å; D225-D227 PolarHBondContact OD1-N 3.33Å; D225-D227 VanDerWaalsContact OD1-N 3.09Å; D227-L230 PolarHBondContact O-N 3.47Å; D227-I231 VanDerWaalsContact O-CG1 3.32Å; D227-I231 WeakPolarHBondContact O-CG1 3.36Å; D227-I231 PolarHBondContact O-N 3.48Å; D227-I231 VanDerWaalsContact O-N 3.08Å; D227-R318 IonicContact OD1-CZ 3.07Å; D227-R318 IonicContact OD1-NE 2.82Å; D227-R318 PolarHBondContact OD1-NE 3.2Å; D227-R318 IonicContact OD1-NH2 3.09Å; D227-R318 PolarHBondContact OD1-NH2 3.45Å; D227-R318 IonicContact OD2-CZ 3.95Å; D227-R318 IonicContact OD2-NE 2.74Å; D227-R318 IonicContact OD2-NH2 3.74Å; D227-R318 PolarHBondContact OD2-NH2 2.72Å |
| 228 | I | 80.1 | Confident | 79.1 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.7 | -60.5 | 177.4 | 0 | 0 | 0 | 110.8 | I151 D225 L230 I231 T232 | I151-I228 HydrophobicContact CD1-CG2 3.57Å; I151-I228 HydrophobicContact CG1-CG2 4.46Å; D225-I228 HydrophobicContact CB-CB 4.22Å; D225-I228 HydrophobicContact CB-CD1 3.94Å; D225-I228 HydrophobicContact CB-CG1 4.09Å; D225-I228 PolarHBondContact O-N 3.44Å; D225-I228 PolarHBondContact OD1-N 3.42Å; D225-I228 VanDerWaalsContact OD2-CD1 3.32Å; D225-I228 WeakPolarHBondContact OD2-CD1 3.42Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.28Å; I228-I231 PolarHBondContact O-N 3.25Å; I228-T232 HydrophobicContact CG2-CG2 4.46Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 WeakPolarHBondContact O-CG2 3.47Å; I228-T232 PolarHBondContact O-N 2.87Å; I228-T232 PolarHBondContact O-OG1 3.2Å |
| 229 | M | 80.5 | Confident | 78.9 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 177 | -171.5 | -173.2 | 175.6 | 0 | 0 | 111.8 | I224 D225 T232 A233 V310 A314 D327 | I224-M229 HydrophobicContact CG2-CB 4.1Å; I224-M229 HydrophobicContact CG2-CG 4.46Å; I224-M229 HydrophobicContact CG2-SD 3.84Å; D225-M229 PolarHBondContact O-N 2.91Å; M229-T232 WeakPolarHBondContact CA-OG1 3.44Å; M229-T232 PolarHBondContact O-OG1 3.47Å; M229-T232 VanDerWaalsContact O-OG1 3.07Å; M229-A233 WeakPolarHBondContact O-CB 3.41Å; M229-A233 PolarHBondContact O-N 3.41Å; M229-V310 HydrophobicContact CE-CG1 4.09Å; M229-A314 HydrophobicContact CB-CB 4.42Å; M229-A314 HydrophobicContact CE-CB 4.09Å; M229-A314 HydrophobicContact CG-CB 3.83Å; M229-A314 HydrophobicContact SD-CB 4Å; M229-D327 HydrophobicContact CE-CB 4.27Å; M229-D327 WeakPolarHBondContact CE-OD1 3.31Å |
| 230 | L | 85.9 | Confident | 79.1 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -44 | 178.9 | -174.2 | 71.5 | 0 | 0 | 0 | 112.1 | G226 D227 I228 A234 L311 A314 | G226-L230 WeakPolarHBondContact O-CB 3.48Å; G226-L230 PolarHBondContact O-N 3.06Å; D227-L230 PolarHBondContact O-N 3.47Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.28Å; L230-A234 VanDerWaalsContact O-CB 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.39Å; L230-A234 PolarHBondContact O-N 2.99Å; L230-L311 HydrophobicContact CD1-CD1 3.87Å; L230-A314 HydrophobicContact CB-CB 4.42Å; L230-A314 HydrophobicContact CD1-CB 4.16Å |
| 231 | I | 86.6 | Confident | 79.9 | Confident | 112 Ų | 112 | 56 Ų | 56 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.6 | -49 | 178.9 | -67.9 | 167 | 0 | 0 | 0 | 110.2 | D227 I228 A234 V235 | D227-I231 VanDerWaalsContact O-CG1 3.32Å; D227-I231 WeakPolarHBondContact O-CG1 3.36Å; D227-I231 PolarHBondContact O-N 3.48Å; D227-I231 VanDerWaalsContact O-N 3.08Å; I228-I231 PolarHBondContact O-N 3.25Å; I231-A234 PolarHBondContact O-N 3.43Å; I231-V235 WeakPolarHBondContact O-CG2 3.26Å; I231-V235 PolarHBondContact O-N 2.98Å |
| 232 | T | 81.6 | Confident | 81 | Confident | 34 Ų | 34 | 53 Ų | 53 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | -179.6 | 47 | 0 | 0 | 0 | 0 | 111.7 | I151 I228 M229 A234 V235 G236 | I151-T232 HydrophobicContact CD1-CG2 3.93Å; I151-T232 HydrophobicContact CG1-CG2 4.1Å; I151-T232 HydrophobicContact CG2-CG2 4.49Å; I228-T232 HydrophobicContact CG2-CG2 4.46Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 WeakPolarHBondContact O-CG2 3.47Å; I228-T232 PolarHBondContact O-N 2.87Å; I228-T232 PolarHBondContact O-OG1 3.2Å; M229-T232 WeakPolarHBondContact CA-OG1 3.44Å; M229-T232 PolarHBondContact O-OG1 3.47Å; M229-T232 VanDerWaalsContact O-OG1 3.07Å; T232-A234 VanDerWaalsContact C-N 3.31Å; T232-A234 PolarHBondContact O-N 3.43Å; T232-V235 PolarHBondContact O-N 2.97Å; T232-G236 PolarHBondContact O-N 3.12Å |
| 233 | A | 84.4 | Confident | 81.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -37.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M229 G236 V237 V310 L311 A314 | M229-A233 WeakPolarHBondContact O-CB 3.41Å; M229-A233 PolarHBondContact O-N 3.41Å; A233-G236 PolarHBondContact O-N 2.9Å; A233-V237 WeakPolarHBondContact O-CG2 3.45Å; A233-V237 PolarHBondContact O-N 3.43Å; A233-V310 HydrophobicContact CB-CG1 4.13Å; A233-L311 HydrophobicContact CB-CB 4.05Å; A233-L311 HydrophobicContact CB-CD1 4.05Å; A233-A314 HydrophobicContact CB-CB 4.48Å |
| 234 | A | 89.3 | Confident | 82.6 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L230 I231 T232 A238 L311 | L230-A234 VanDerWaalsContact O-CB 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.39Å; L230-A234 PolarHBondContact O-N 2.99Å; I231-A234 PolarHBondContact O-N 3.43Å; T232-A234 VanDerWaalsContact C-N 3.31Å; T232-A234 PolarHBondContact O-N 3.43Å; A234-A238 PolarHBondContact O-N 2.82Å; A234-A238 VanDerWaalsContact O-N 3.13Å; A234-L311 HydrophobicContact CB-CD1 4.02Å |
| 235 | V | 86.4 | Confident | 83.3 | Confident | 69 Ų | 69 | 48.3 Ų | 48.3 | 42% | 0.418 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | F135 I231 T232 V237 A238 V239 | F135-V235 HydrophobicContact CD2-CG1 4.39Å; F135-V235 HydrophobicContact CE2-CB 4.45Å; F135-V235 HydrophobicContact CE2-CG1 3.52Å; F135-V235 HydrophobicContact CZ-CG1 4.23Å; I231-V235 WeakPolarHBondContact O-CG2 3.26Å; I231-V235 PolarHBondContact O-N 2.98Å; T232-V235 PolarHBondContact O-N 2.97Å; V235-V237 VanDerWaalsContact C-N 3.35Å; V235-V237 PolarHBondContact O-N 2.92Å; V235-A238 WeakPolarHBondContact O-CB 3.33Å; V235-A238 PolarHBondContact O-N 3.3Å; V235-A238 VanDerWaalsContact O-N 3.11Å; V235-V239 HydrophobicContact CG1-CG2 4.4Å; V235-V239 WeakPolarHBondContact O-CG2 3.39Å; V235-V239 PolarHBondContact O-N 3.43Å |
| 236 | G | 84.7 | Confident | 83.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T232 A233 A238 V239 N240 | T232-G236 PolarHBondContact O-N 3.12Å; A233-G236 PolarHBondContact O-N 2.9Å; G236-A238 PolarHBondContact O-N 3.33Å; G236-V239 PolarHBondContact O-N 3.25Å; G236-N240 WeakPolarHBondContact O-CB 3.43Å; G236-N240 PolarHBondContact O-N 3.1Å; G236-N240 PolarHBondContact O-ND2 3.15Å |
| 237 | V | 88.5 | Confident | 83.6 | Confident | 25 Ų | 25 | 46.3 Ų | 46.3 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 174 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | A233 V235 V239 N240 L241 S307 V308 L311 | A233-V237 WeakPolarHBondContact O-CG2 3.45Å; A233-V237 PolarHBondContact O-N 3.43Å; V235-V237 VanDerWaalsContact C-N 3.35Å; V235-V237 PolarHBondContact O-N 2.92Å; V237-V239 VanDerWaalsContact C-N 3.35Å; V237-V239 PolarHBondContact O-N 2.89Å; V237-N240 PolarHBondContact O-N 3.16Å; V237-L241 WeakPolarHBondContact O-CB 3.11Å; V237-L241 PolarHBondContact O-N 2.9Å; V237-S307 VanDerWaalsContact CG2-O 3.31Å; V237-S307 WeakPolarHBondContact CG2-O 3.49Å; V237-V308 HydrophobicContact CG1-CG2 3.98Å; V237-V308 HydrophobicContact CG2-CG2 4Å; V237-L311 HydrophobicContact CB-CD2 4.42Å; V237-L311 HydrophobicContact CG2-CB 4.02Å; V237-L311 HydrophobicContact CG2-CD2 3.95Å |
| 238 | A | 88.9 | Confident | 82.9 | Confident | 48 Ų | 48 | 46 Ų | 46 | 40% | 0.397 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A234 V235 G236 L241 I242 | A234-A238 PolarHBondContact O-N 2.82Å; A234-A238 VanDerWaalsContact O-N 3.13Å; V235-A238 WeakPolarHBondContact O-CB 3.33Å; V235-A238 PolarHBondContact O-N 3.3Å; V235-A238 VanDerWaalsContact O-N 3.11Å; G236-A238 PolarHBondContact O-N 3.33Å; A238-L241 PolarHBondContact O-N 3.41Å; A238-I242 VanDerWaalsContact O-CG1 3.31Å; A238-I242 WeakPolarHBondContact O-CG1 3.43Å; A238-I242 PolarHBondContact O-N 2.94Å |
| 239 | V | 84.7 | Confident | 81.7 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -47.8 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L131 F135 V235 G236 V237 L241 I242 M243 | L131-V239 HydrophobicContact CD2-CG1 3.78Å; F135-V239 HydrophobicContact CB-CG1 4.4Å; F135-V239 HydrophobicContact CD1-CG1 4.04Å; F135-V239 HydrophobicContact CD1-CG2 4.48Å; F135-V239 HydrophobicContact CD2-CG2 3.72Å; F135-V239 HydrophobicContact CE1-CG1 4.49Å; F135-V239 HydrophobicContact CE2-CG2 3.92Å; F135-V239 HydrophobicContact CG-CG1 4.08Å; F135-V239 HydrophobicContact CG-CG2 4.02Å; F135-V239 HydrophobicContact CZ-CG2 4.33Å; V235-V239 HydrophobicContact CG1-CG2 4.4Å; V235-V239 WeakPolarHBondContact O-CG2 3.39Å; V235-V239 PolarHBondContact O-N 3.43Å; G236-V239 PolarHBondContact O-N 3.25Å; V237-V239 VanDerWaalsContact C-N 3.35Å; V237-V239 PolarHBondContact O-N 2.89Å; V239-L241 VanDerWaalsContact C-N 3.26Å; V239-L241 PolarHBondContact O-N 3.12Å; V239-I242 PolarHBondContact O-N 3.41Å; V239-M243 WeakPolarHBondContact O-CB 3.27Å; V239-M243 PolarHBondContact O-N 3.49Å |
| 240 | N | 86.8 | Confident | 80.1 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | 177.5 | -76 | -29.5 | 0 | 0 | 0 | 112.3 | G236 V237 G244 D303 L304 S307 | G236-N240 WeakPolarHBondContact O-CB 3.43Å; G236-N240 PolarHBondContact O-N 3.1Å; G236-N240 PolarHBondContact O-ND2 3.15Å; V237-N240 PolarHBondContact O-N 3.16Å; N240-G244 PolarHBondContact O-N 3.43Å; N240-D303 PolarHBondContact ND2-O 2.96Å; N240-L304 HydrophobicContact CB-CB 4.13Å; N240-L304 HydrophobicContact CB-CD1 3.85Å; N240-S307 WeakPolarHBondContact ND2-CB 3.43Å; N240-S307 PolarHBondContact ND2-OG 2.96Å |
| 241 | L | 87.9 | Confident | 77.9 | Confident | 107 Ų | 107 | 50.8 Ų | 50.8 | 56% | 0.56 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69 | -45.5 | 174.1 | -171 | 71.7 | 0 | 0 | 0 | 112 | V237 A238 V239 M243 G244 F245 L304 | V237-L241 WeakPolarHBondContact O-CB 3.11Å; V237-L241 PolarHBondContact O-N 2.9Å; A238-L241 PolarHBondContact O-N 3.41Å; V239-L241 VanDerWaalsContact C-N 3.26Å; V239-L241 PolarHBondContact O-N 3.12Å; L241-M243 VanDerWaalsContact C-N 3.27Å; L241-M243 PolarHBondContact O-N 3.26Å; L241-G244 PolarHBondContact O-N 3.22Å; L241-F245 PolarHBondContact O-N 3.41Å; L241-L304 HydrophobicContact CB-CD1 4.38Å; L241-L304 HydrophobicContact CD1-CD2 4.37Å |
| 242 | I | 85.8 | Confident | 75 | Confident | 97 Ų | 97 | 54.2 Ų | 54.2 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.7 | -68.5 | 165.4 | 0 | 0 | 0 | 109.7 | L131 A238 V239 F245 L246 | L131-I242 HydrophobicContact CD1-CG2 4.02Å; A238-I242 VanDerWaalsContact O-CG1 3.31Å; A238-I242 WeakPolarHBondContact O-CG1 3.43Å; A238-I242 PolarHBondContact O-N 2.94Å; V239-I242 PolarHBondContact O-N 3.41Å; I242-F245 PolarHBondContact O-N 3.02Å; I242-L246 WeakPolarHBondContact O-CB 3.4Å; I242-L246 PolarHBondContact O-N 3.14Å |
| 243 | M | 78.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -49 | 177.2 | -177.3 | 59.2 | 72 | 0 | 0 | 112 | A128 L131 Y132 V239 L241 F245 L246 L247 A300 | A128-M243 VanDerWaalsContact CA-CE 3.43Å; A128-M243 HydrophobicContact CB-CE 3.48Å; A128-M243 VanDerWaalsContact CB-CE 3.48Å; A128-M243 HydrophobicContact CB-SD 3.45Å; A128-M243 WeakPolarHBondContact CB-SD 3.33Å; A128-M243 WeakPolarHBondContact O-CE 3.29Å; L131-M243 HydrophobicContact CD2-CE 4.24Å; Y132-M243 HydrophobicContact CD2-CE 3.25Å; Y132-M243 HydrophobicContact CE2-CE 3.12Å; Y132-M243 HydrophobicContact CE2-CG 3.89Å; Y132-M243 HydrophobicContact CE2-SD 3.98Å; Y132-M243 HydrophobicContact CG-CE 4.1Å; V239-M243 WeakPolarHBondContact O-CB 3.27Å; V239-M243 PolarHBondContact O-N 3.49Å; L241-M243 VanDerWaalsContact C-N 3.27Å; L241-M243 PolarHBondContact O-N 3.26Å; M243-F245 PolarHBondContact O-N 3Å; M243-L246 WeakPolarHBondContact O-CB 3.28Å; M243-L246 PolarHBondContact O-N 3.07Å; M243-L246 VanDerWaalsContact O-N 3.11Å; M243-L246 HydrophobicContact SD-CD2 4.35Å; M243-L247 HydrophobicContact CG-CD1 4.04Å; M243-L247 WeakPolarHBondContact O-CG 3.34Å; M243-L247 PolarHBondContact O-N 2.86Å; M243-L247 HydrophobicContact SD-CD1 3.98Å; M243-L247 HydrophobicContact SD-CG 4.07Å; M243-A300 HydrophobicContact CG-CB 4.17Å |
| 244 | G | 79.8 | Confident | 70 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 18% | 0.175 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54.1 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N240 L241 N248 | N240-G244 PolarHBondContact O-N 3.43Å; L241-G244 PolarHBondContact O-N 3.22Å; G244-N248 WeakPolarHBondContact O-CB 3.32Å; G244-N248 PolarHBondContact O-N 2.71Å |
| 245 | F | 82.1 | Confident | 67 | Low | 134 Ų | 134 | 70.7 Ų | 70.7 | 59% | 0.588 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.6 | -42.9 | 176.5 | -168.3 | -118.2 | 0 | 0 | 0 | 113 | L241 I242 M243 L247 N248 Q249 | L241-F245 PolarHBondContact O-N 3.41Å; I242-F245 PolarHBondContact O-N 3.02Å; M243-F245 PolarHBondContact O-N 3Å; F245-L247 PolarHBondContact O-N 3.32Å; F245-N248 PolarHBondContact O-N 2.99Å; F245-Q249 VanDerWaalsContact CD1-NE2 3.27Å; F245-Q249 HydrophobicContact CE2-CG 4.38Å; F245-Q249 HydrophobicContact CZ-CG 4.34Å; F245-Q249 WeakPolarHBondContact O-CG 3.49Å; F245-Q249 PolarHBondContact O-N 3.34Å |
| 246 | L | 78.5 | Confident | 64.5 | Low | 42 Ų | 42 | 75.8 Ų | 75.8 | 22% | 0.22 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -58.7 | -36.5 | 177.4 | -171.7 | 72.4 | 0 | 0 | 0 | 112.1 | I127 A128 I242 M243 | I127-L246 HydrophobicContact CB-CD2 4.16Å; I127-L246 HydrophobicContact CG2-CD1 4.25Å; I127-L246 HydrophobicContact CG2-CD2 3.68Å; A128-L246 HydrophobicContact CB-CD2 4.24Å; I242-L246 WeakPolarHBondContact O-CB 3.4Å; I242-L246 PolarHBondContact O-N 3.14Å; M243-L246 WeakPolarHBondContact O-CB 3.28Å; M243-L246 PolarHBondContact O-N 3.07Å; M243-L246 VanDerWaalsContact O-N 3.11Å; M243-L246 HydrophobicContact SD-CD2 4.35Å |
| 247 | L | 71.4 | Confident | 61.7 | Low | 18 Ų | 18 | 78.9 Ų | 78.9 | 9% | 0.094 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -83.9 | -32.8 | 178 | -63.4 | 176.1 | 0 | 0 | 0 | 112.9 | L125 M243 F245 A300 | L125-L247 HydrophobicContact CD2-CD2 4.49Å; M243-L247 HydrophobicContact CG-CD1 4.04Å; M243-L247 WeakPolarHBondContact O-CG 3.34Å; M243-L247 PolarHBondContact O-N 2.86Å; M243-L247 HydrophobicContact SD-CD1 3.98Å; M243-L247 HydrophobicContact SD-CG 4.07Å; F245-L247 PolarHBondContact O-N 3.32Å; L247-A300 HydrophobicContact CD1-CB 3.77Å |
| 248 | N | 68.2 | Low | 59.1 | Low | 68 Ų | 68 | 85.5 Ų | 85.5 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.4 | -21.4 | -176.3 | -169.4 | 36.3 | 0 | 0 | 0 | 114.5 | G244 F245 G250 G251 F297 | G244-N248 WeakPolarHBondContact O-CB 3.32Å; G244-N248 PolarHBondContact O-N 2.71Å; F245-N248 PolarHBondContact O-N 2.99Å; N248-G250 PolarHBondContact O-N 3.4Å; N248-G251 PolarHBondContact O-N 2.93Å; N248-F297 HydrophobicContact CB-CE2 4.15Å |
| 249 | Q | 55 | Low | 56.2 | Low | 111 Ų | 111 | 86.9 Ų | 86.9 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 27.5 | 178.4 | -71.1 | -178.6 | 13.7 | 0 | 0 | 114.9 | R124 F245 | R124-Q249 PolarHBondContact NH1-O 3.41Å; R124-Q249 PolarHBondContact NH2-O 2.73Å; F245-Q249 VanDerWaalsContact CD1-NE2 3.27Å; F245-Q249 HydrophobicContact CE2-CG 4.38Å; F245-Q249 HydrophobicContact CZ-CG 4.34Å; F245-Q249 WeakPolarHBondContact O-CG 3.49Å; F245-Q249 PolarHBondContact O-N 3.34Å |
| 250 | G | 46 | Very low | 54 | Low | 59 Ų | 59 | 93.6 Ų | 93.6 | 61% | 0.608 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -9.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R124 N248 | R124-G250 VanDerWaalsContact NH1-CA 3.3Å; N248-G250 PolarHBondContact O-N 3.4Å |
| 251 | G | 40.1 | Very low | 51.4 | Low | 49 Ų | 49 | 99.1 Ų | 99.1 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -154.3 | 108.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N248 L253 | N248-G251 PolarHBondContact O-N 2.93Å; G251-L253 PolarHBondContact O-N 3.48Å |
| 252 | H | 27.1 | Very low | 48.9 | Very low | 185 Ų | 185 | 102.2 Ų | 102.2 | 86% | 0.856 | 58% | 0.581 | S | S | * | * | trans | -54.7 | 124.2 | 171.8 | -157.5 | -66.8 | 0 | 0 | 0 | 109.6 | ||||
| 253 | L | 26.8 | Very low | 46.6 | Very low | 139 Ų | 139 | 101 Ų | 101 | 73% | 0.728 | 59% | 0.594 | S | S | * | * | trans | -32.9 | 135.3 | -179.9 | -150.6 | 72.1 | 0 | 0 | 0 | 115.3 | G251 S255 | G251-L253 PolarHBondContact O-N 3.48Å; L253-S255 PolarHBondContact O-N 3.46Å | ||
| 254 | H | 33.8 | Very low | 44.5 | Very low | 176 Ų | 176 | 109.4 Ų | 109.4 | 82% | 0.815 | 63% | 0.632 | S | S | * | * | trans | -64.2 | 121.2 | 167.4 | -80.2 | -95.1 | 0 | 0 | 0 | 110.8 | ||||
| 255 | S | 26.1 | Very low | 42.4 | Very low | 113 Ų | 113 | 111.5 Ų | 111.5 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | trans | -76.7 | 123 | 156.3 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | L253 G257 | L253-S255 PolarHBondContact O-N 3.46Å; S255-G257 PolarHBondContact O-N 3.05Å; S255-G257 VanDerWaalsContact O-N 3.1Å | ||
| 256 | H | 33.3 | Very low | 40.1 | Very low | 176 Ų | 176 | 114.1 Ų | 114.1 | 82% | 0.815 | 67% | 0.668 | S | S | * | * | trans | -70.6 | 92.7 | 165.5 | -82.2 | -89.8 | 0 | 0 | 0 | 109.1 | ||||
| 257 | G | 27.1 | Very low | 38 | Very low | 69 Ų | 69 | 116.2 Ų | 116.2 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | trans | -91.6 | 99.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S255 G259 | S255-G257 PolarHBondContact O-N 3.05Å; S255-G257 VanDerWaalsContact O-N 3.1Å; G257-G259 PolarHBondContact O-N 2.8Å; G257-G259 VanDerWaalsContact O-N 3.15Å | ||
| 258 | H | 33.8 | Very low | 36.3 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | -63.8 | 104.3 | 163 | -85.9 | -86.7 | 0 | 0 | 0 | 109.5 | H260 | H258-H260 PolarHBondContact O-N 2.95Š| ||
| 259 | G | 28.3 | Very low | 34.5 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | trans | -88.7 | 92.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | G257 S261 | G257-G259 PolarHBondContact O-N 2.8Å; G257-G259 VanDerWaalsContact O-N 3.15Å; G259-S261 PolarHBondContact O-N 3.02Å | ||
| 260 | H | 36.6 | Very low | 34.1 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -79.7 | 108.4 | 160.4 | -73.2 | -77.7 | 0 | 0 | 0 | 108.4 | H258 H262 | H258-H260 PolarHBondContact O-N 2.95Å; H260-H262 PolarHBondContact O-N 3.1Å | ||
| 261 | S | 34.1 | Very low | 33.4 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -86.8 | 101.9 | 171.2 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | G259 | G259-S261 PolarHBondContact O-N 3.02Š| ||
| 262 | H | 35.5 | Very low | 32.9 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -77.7 | 123.9 | 158.7 | -80.3 | -82.5 | 0 | 0 | 0 | 108.8 | H260 | H260-H262 PolarHBondContact O-N 3.1Š| ||
| 263 | G | 35.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -78.1 | 127.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 264 | H | 34.2 | Very low | 33.8 | Very low | 176 Ų | 176 | 124.4 Ų | 124.4 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -134.6 | 118.6 | 156.7 | -92.3 | -72.1 | 0 | 0 | 0 | 108 | ||||
| 265 | G | 35.7 | Very low | 33.7 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | -92 | 150.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 266 | H | 33.8 | Very low | 33.8 | Very low | 188 Ų | 188 | 119.1 Ų | 119.1 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | trans | -153.2 | 142 | 149.3 | -79.1 | -58.9 | 0 | 0 | 0 | 110.5 | ||||
| 267 | S | 36.2 | Very low | 33.4 | Very low | 86 Ų | 86 | 116.1 Ų | 116.1 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -96.3 | 178.1 | -179.4 | 45.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 268 | H | 34.1 | Very low | 33.4 | Very low | 188 Ų | 188 | 121.9 Ų | 121.9 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | 95.9 | 128.9 | 169.9 | -47.7 | -64.7 | 0 | 0 | 0 | 113.8 | ||||
| 269 | G | 30.3 | Very low | 33.1 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | -178.3 | 178.3 | 9.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 270 | P | 47.3 | Very low | 33.2 | Very low | 133 Ų | 133 | 120 Ų | 120 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -97.5 | 141.4 | -159.6 | 36 | -31.1 | 0 | 0 | 0 | 114.6 | ||||
| 271 | A | 30.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 116 Ų | 116 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | 167.1 | 148.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 272 | A | 30.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 114.5 Ų | 114.5 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 84.9 | 102.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 273 | A | 31.6 | Very low | 32 | Very low | 93 Ų | 93 | 109.6 Ų | 109.6 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -66.8 | 157.7 | 145.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 274 | P | 41.8 | Very low | 31.8 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -144.8 | 171 | 44.4 | 36.5 | -14.4 | 0 | 0 | 0 | 117.4 | ||||
| 275 | S | 31.7 | Very low | 31.9 | Very low | 118 Ų | 118 | 109.5 Ų | 109.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | 55.6 | 91.7 | 150.4 | 55.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 276 | G | 26.7 | Very low | 31.8 | Very low | 61 Ų | 61 | 116.8 Ų | 116.8 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | -149.3 | 118.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | H278 | G276-H278 PolarHBondContact O-N 3.15Å; G276-H278 VanDerWaalsContact O-N 3.15Å | ||
| 277 | S | 26.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 111 Ų | 111 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -35.8 | 112.7 | 175.4 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | S279 | S277-S279 PolarHBondContact O-N 2.9Š| ||
| 278 | H | 26.8 | Very low | 32.4 | Very low | 191 Ų | 191 | 111.2 Ų | 111.2 | 88% | 0.884 | 73% | 0.731 | S | S | * | * | trans | -69.5 | 87.9 | 160 | -72.7 | -67.2 | 0 | 0 | 0 | 107.8 | G276 A280 | G276-H278 PolarHBondContact O-N 3.15Å; G276-H278 VanDerWaalsContact O-N 3.15Å; H278-A280 PolarHBondContact O-N 3.38Å | ||
| 279 | S | 26.9 | Very low | 33.4 | Very low | 109 Ų | 109 | 104.5 Ų | 104.5 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -60.9 | 91.4 | 152.3 | 34 | 0 | 0 | 0 | 0 | 106.5 | S277 G281 | S277-S279 PolarHBondContact O-N 2.9Å; S279-G281 VanDerWaalsContact C-N 3.34Å; S279-G281 PolarHBondContact O-N 3.49Å | ||
| 280 | A | 30.7 | Very low | 35 | Very low | 92 Ų | 92 | 102.1 Ų | 102.1 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | trans | -51.2 | 106.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | H278 S282 | H278-A280 PolarHBondContact O-N 3.38Å; A280-S282 PolarHBondContact O-N 3.19Å | ||
| 281 | G | 25.7 | Very low | 35.9 | Very low | 76 Ų | 76 | 96.4 Ų | 96.4 | 78% | 0.784 | 65% | 0.647 | S | S | * | * | trans | -61.7 | 89.6 | 170 | 0 | 0 | 0 | 0 | 0 | 107 | S279 G283 | S279-G281 VanDerWaalsContact C-N 3.34Å; S279-G281 PolarHBondContact O-N 3.49Å; G281-G283 PolarHBondContact O-N 2.87Å | ||
| 282 | S | 27.5 | Very low | 37.5 | Very low | 88 Ų | 88 | 91.6 Ų | 91.6 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | trans | -54.1 | 92.8 | 157.4 | 167.2 | 0 | 0 | 0 | 0 | 105.5 | A280 Q284 | A280-S282 PolarHBondContact O-N 3.19Å; S282-Q284 PolarHBondContact O-N 3.4Å | ||
| 283 | G | 27.3 | Very low | 39.3 | Very low | 68 Ų | 68 | 88.6 Ų | 88.6 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | trans | -64.1 | 73.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | G281 Q285 | G281-G283 PolarHBondContact O-N 2.87Å; G283-Q285 PolarHBondContact O-N 2.96Å | ||
| 284 | Q | 31 | Very low | 41 | Very low | 132 Ų | 132 | 89.8 Ų | 89.8 | 62% | 0.617 | 56% | 0.563 | S | S | * | * | trans | -61.1 | 91.1 | 172.9 | -171.1 | 91.1 | 48.2 | 0 | 0 | 105.2 | S282 R286 | S282-Q284 PolarHBondContact O-N 3.4Å; Q284-R286 PolarHBondContact O-N 2.89Å | ||
| 285 | Q | 37.6 | Very low | 42.3 | Very low | 116 Ų | 116 | 85.3 Ų | 85.3 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | trans | -52.6 | 109.2 | 170.2 | -73.4 | -176.1 | -1.1 | 0 | 0 | 105.7 | G283 P287 | G283-Q285 PolarHBondContact O-N 2.96Å; Q285-P287 VanDerWaalsContact O-CD 3.31Å; Q285-P287 WeakPolarHBondContact O-CD 3.3Å; Q285-P287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | R | 33.3 | Very low | 44.1 | Very low | 215 Ų | 215 | 80.4 Ų | 80.4 | 81% | 0.811 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 118.3 | 175.6 | -81.9 | 178.9 | 140.1 | -172.4 | -4.3 | 105.2 | Q284 T288 | Q284-R286 PolarHBondContact O-N 2.89Å; R286-T288 PolarHBondContact O-N 3.42Å |
| 287 | P | 39.4 | Very low | 46.4 | Very low | 66 Ų | 66 | 80.9 Ų | 80.9 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 118.1 | 178.5 | 24.4 | -33.8 | 0 | 0 | 0 | 106.8 | Q285 | Q285-P287 VanDerWaalsContact O-CD 3.31Å; Q285-P287 WeakPolarHBondContact O-CD 3.3Å; Q285-P287 VanDerWaalsContact O-N 3.1Å |
| 288 | T | 43.6 | Very low | 48.7 | Very low | 90 Ų | 90 | 77.6 Ų | 77.6 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 143.6 | 172.3 | 39.1 | 0 | 0 | 0 | 0 | 108.2 | R286 D390 | R286-T288 PolarHBondContact O-N 3.42Å; T288-D390 VanDerWaalsContact O-OD1 3.06Å; T288-D390 PolarHBondContact OG1-OD1 2.96Å |
| 289 | G | 54.4 | Low | 51 | Low | 48 Ų | 48 | 70.4 Ų | 70.4 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 150.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L291 | G289-L291 PolarHBondContact O-N 3.42Š|
| 290 | S | 64 | Low | 53.4 | Low | 20 Ų | 20 | 65.3 Ų | 65.3 | 14% | 0.14 | 39% | 0.391 | C | S | . | . | trans | -45.3 | 135.9 | 173.8 | 152.6 | 0 | 0 | 0 | 0 | 110.1 | E191 A292 V293 R294 | E191-S290 WeakPolarHBondContact OE1-CB 3.32Å; E191-S290 PolarHBondContact OE1-OG 3.47Å; S290-A292 PolarHBondContact O-N 2.91Å; S290-A292 VanDerWaalsContact O-N 3.15Å; S290-A292 PolarHBondContact OG-N 3.46Å; S290-V293 WeakPolarHBondContact O-CB 3.5Å; S290-V293 PolarHBondContact O-N 3.2Å; S290-R294 PolarHBondContact O-N 2.96Å; S290-R294 VanDerWaalsContact O-N 3.12Å | ||
| 291 | L | 66.9 | Low | 55.9 | Low | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -53.3 | -38.4 | -178 | -175.1 | 66.1 | 0 | 0 | 0 | 110.7 | E191 A195 G289 V293 R294 A295 I352 A389 | E191-L291 PolarHBondContact OE1-N 2.89Å; A195-L291 HydrophobicContact CB-CD2 4.44Å; G289-L291 PolarHBondContact O-N 3.42Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.29Å; L291-R294 PolarHBondContact O-N 3.02Å; L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.38Å; L291-A295 PolarHBondContact O-N 2.94Å; L291-I352 HydrophobicContact CD2-CD1 4.19Å; L291-A389 HydrophobicContact CB-CB 3.79Å; L291-A389 HydrophobicContact CD1-CB 4.36Å; L291-A389 HydrophobicContact CG-CB 4.49Å |
| 292 | A | 63.9 | Low | 58.5 | Low | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E191 S290 A295 A296 | E191-A292 HydrophobicContact CG-CB 4.14Å; E191-A292 PolarHBondContact OE1-N 3.35Å; S290-A292 PolarHBondContact O-N 2.91Å; S290-A292 VanDerWaalsContact O-N 3.15Å; S290-A292 PolarHBondContact OG-N 3.46Å; A292-A295 PolarHBondContact O-N 3.4Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.35Å; A292-A296 PolarHBondContact O-N 2.9Å |
| 293 | V | 67.4 | Low | 61.1 | Low | 37 Ų | 37 | 57.8 Ų | 57.8 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.5 | -42.4 | 178.3 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | V121 S290 L291 A295 A296 F297 | V121-V293 HydrophobicContact CB-CG2 4.28Å; V121-V293 HydrophobicContact CG1-CG2 3.36Å; V121-V293 HydrophobicContact CG2-CG2 3.87Å; S290-V293 WeakPolarHBondContact O-CB 3.5Å; S290-V293 PolarHBondContact O-N 3.2Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.29Å; V293-A295 VanDerWaalsContact C-N 3.33Å; V293-A296 PolarHBondContact O-N 2.87Å; V293-F297 WeakPolarHBondContact O-CB 3.35Å; V293-F297 PolarHBondContact O-N 2.82Å |
| 294 | R | 68.5 | Low | 63.9 | Low | 119 Ų | 119 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 176.8 | -175.3 | -179.4 | 177.5 | -165.8 | 0.1 | 111.3 | S290 L291 F297 I298 | S290-R294 PolarHBondContact O-N 2.96Å; S290-R294 VanDerWaalsContact O-N 3.12Å; L291-R294 PolarHBondContact O-N 3.02Å; R294-F297 PolarHBondContact O-N 3.07Å; R294-I298 HydrophobicContact CG-CD1 4.03Å; R294-I298 WeakPolarHBondContact O-CG1 3.25Å; R294-I298 PolarHBondContact O-N 2.88Å |
| 295 | A | 68.8 | Low | 66.5 | Low | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L291 A292 V293 F297 I298 H299 | L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.38Å; L291-A295 PolarHBondContact O-N 2.94Å; A292-A295 PolarHBondContact O-N 3.4Å; V293-A295 VanDerWaalsContact C-N 3.33Å; A295-F297 VanDerWaalsContact C-N 3.3Å; A295-F297 PolarHBondContact O-N 3.09Å; A295-I298 PolarHBondContact O-N 2.97Å; A295-H299 VanDerWaalsContact O-CB 3.25Å; A295-H299 WeakPolarHBondContact O-CB 3.37Å; A295-H299 PolarHBondContact O-N 3.4Å |
| 296 | A | 69.6 | Low | 68.8 | Low | 15 Ų | 15 | 49 Ų | 49 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L125 A292 V293 H299 A300 | L125-A296 HydrophobicContact CD2-CB 4.34Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.35Å; A292-A296 PolarHBondContact O-N 2.9Å; V293-A296 PolarHBondContact O-N 2.87Å; A296-H299 WeakPolarHBondContact O-CB 3.37Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 2.74Å |
| 297 | F | 74.7 | Confident | 71.4 | Confident | 70 Ų | 70 | 39.4 Ų | 39.4 | 31% | 0.307 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.5 | -47.4 | 175.4 | 173.5 | -97.6 | 0 | 0 | 0 | 112.4 | N248 V293 R294 A295 H299 A300 L301 | N248-F297 HydrophobicContact CB-CE2 4.15Å; V293-F297 WeakPolarHBondContact O-CB 3.35Å; V293-F297 PolarHBondContact O-N 2.82Å; R294-F297 PolarHBondContact O-N 3.07Å; A295-F297 VanDerWaalsContact C-N 3.3Å; A295-F297 PolarHBondContact O-N 3.09Å; F297-H299 PolarHBondContact O-N 3.06Å; F297-A300 PolarHBondContact O-N 3.25Å; F297-L301 HydrophobicContact CE1-CD2 4.36Å; F297-L301 WeakPolarHBondContact O-CB 3.19Å; F297-L301 PolarHBondContact O-N 3.21Å |
| 298 | I | 74.8 | Confident | 73.8 | Confident | 44 Ų | 44 | 38.8 Ų | 38.8 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.8 | -68.2 | 168 | 0 | 0 | 0 | 110.1 | R294 A295 L301 G302 I345 | R294-I298 HydrophobicContact CG-CD1 4.03Å; R294-I298 WeakPolarHBondContact O-CG1 3.25Å; R294-I298 PolarHBondContact O-N 2.88Å; A295-I298 PolarHBondContact O-N 2.97Å; I298-L301 PolarHBondContact O-N 3.39Å; I298-G302 PolarHBondContact O-N 2.93Å; I298-I345 HydrophobicContact CB-CD1 4.23Å; I298-I345 HydrophobicContact CD1-CD1 4Å; I298-I345 HydrophobicContact CD1-CG1 4.35Å; I298-I345 HydrophobicContact CG2-CD1 4.02Å |
| 299 | H | 75.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 34.8 Ų | 34.8 | 18% | 0.181 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -58.5 | 172.7 | -178.5 | 84.4 | 0 | 0 | 0 | 111.6 | D161 I202 A295 A296 F297 L301 G302 D303 | D161-H299 VanDerWaalsContact CG-NE2 3.3Å; D161-H299 IonicContact OD1-CE1 3.88Å; D161-H299 PolarHBondContact OD1-CE1 2.96Å; D161-H299 IonicContact OD1-NE2 2.66Å; D161-H299 PolarHBondContact OD1-NE2 3.31Å; D161-H299 IonicContact OD2-NE2 2.65Å; I202-H299 WeakPolarHBondContact CD1-ND1 3.12Å; A295-H299 VanDerWaalsContact O-CB 3.25Å; A295-H299 WeakPolarHBondContact O-CB 3.37Å; A295-H299 PolarHBondContact O-N 3.4Å; A296-H299 WeakPolarHBondContact O-CB 3.37Å; F297-H299 PolarHBondContact O-N 3.06Å; H299-L301 PolarHBondContact O-N 3.19Å; H299-G302 WeakPolarHBondContact O-CA 3.4Å; H299-G302 PolarHBondContact O-N 3.34Å; H299-D303 IonicContact CD2-OD2 3.82Å; H299-D303 PolarHBondContact CD2-OD2 3.06Å; H299-D303 IonicContact CE1-OD2 3.64Å; H299-D303 IonicContact NE2-OD1 3.43Å; H299-D303 IonicContact NE2-OD2 3.46Å; H299-D303 PolarHBondContact NE2-OD2 3.39Å; H299-D303 PolarHBondContact O-N 3.18Å |
| 300 | A | 77.6 | Confident | 77.4 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | M243 L247 A296 F297 L304 | M243-A300 HydrophobicContact CG-CB 4.17Å; L247-A300 HydrophobicContact CD1-CB 3.77Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 2.74Å; F297-A300 PolarHBondContact O-N 3.25Å; A300-L304 WeakPolarHBondContact O-CB 3.22Å; A300-L304 PolarHBondContact O-N 2.9Å |
| 301 | L | 81.4 | Confident | 78.6 | Confident | 78 Ų | 78 | 35.6 Ų | 35.6 | 41% | 0.408 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 173.2 | -179.1 | 62.7 | 0 | 0 | 0 | 111.7 | F297 I298 H299 L304 L305 | F297-L301 HydrophobicContact CE1-CD2 4.36Å; F297-L301 WeakPolarHBondContact O-CB 3.19Å; F297-L301 PolarHBondContact O-N 3.21Å; I298-L301 PolarHBondContact O-N 3.39Å; H299-L301 PolarHBondContact O-N 3.19Å; L301-L304 PolarHBondContact O-N 3.04Å; L301-L305 WeakPolarHBondContact O-CG 3.4Å; L301-L305 PolarHBondContact O-N 3.42Å |
| 302 | G | 80.8 | Confident | 79.7 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I298 H299 L304 L305 Q306 | I298-G302 PolarHBondContact O-N 2.93Å; H299-G302 WeakPolarHBondContact O-CA 3.4Å; H299-G302 PolarHBondContact O-N 3.34Å; G302-L304 VanDerWaalsContact C-N 3.33Å; G302-L304 PolarHBondContact O-N 3.44Å; G302-L305 PolarHBondContact O-N 3.45Å; G302-Q306 WeakPolarHBondContact O-CB 3.35Å; G302-Q306 PolarHBondContact O-N 3.44Å |
| 303 | D | 82.9 | Confident | 80.8 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 177.8 | -61.6 | -31.2 | 0 | 0 | 0 | 112.2 | H157 N240 H299 Q306 S307 | H157-D303 IonicContact CE1-OD1 3.96Å; H157-D303 IonicContact NE2-OD1 2.67Å; H157-D303 PolarHBondContact NE2-OD1 3.22Å; N240-D303 PolarHBondContact ND2-O 2.96Å; H299-D303 IonicContact CD2-OD2 3.82Å; H299-D303 PolarHBondContact CD2-OD2 3.06Å; H299-D303 IonicContact CE1-OD2 3.64Å; H299-D303 IonicContact NE2-OD1 3.43Å; H299-D303 IonicContact NE2-OD2 3.46Å; H299-D303 PolarHBondContact NE2-OD2 3.39Å; H299-D303 PolarHBondContact O-N 3.18Å; D303-Q306 PolarHBondContact O-N 3.24Å; D303-S307 WeakPolarHBondContact O-CB 3.29Å; D303-S307 PolarHBondContact O-N 3.33Å; D303-S307 PolarHBondContact O-OG 3.33Å |
| 304 | L | 86.2 | Confident | 81.6 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.4 | 179.6 | 62.5 | 0 | 0 | 0 | 111.3 | N240 L241 A300 L301 G302 Q306 S307 V308 | N240-L304 HydrophobicContact CB-CB 4.13Å; N240-L304 HydrophobicContact CB-CD1 3.85Å; L241-L304 HydrophobicContact CB-CD1 4.38Å; L241-L304 HydrophobicContact CD1-CD2 4.37Å; A300-L304 WeakPolarHBondContact O-CB 3.22Å; A300-L304 PolarHBondContact O-N 2.9Å; L301-L304 PolarHBondContact O-N 3.04Å; G302-L304 VanDerWaalsContact C-N 3.33Å; G302-L304 PolarHBondContact O-N 3.44Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; L304-S307 WeakPolarHBondContact CA-OG 3.31Å; L304-S307 PolarHBondContact O-OG 3.25Å; L304-V308 HydrophobicContact CD1-CG2 4.28Å; L304-V308 WeakPolarHBondContact O-CB 3.47Å; L304-V308 VanDerWaalsContact O-CG2 3.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.5Å; L304-V308 PolarHBondContact O-N 3.4Å |
| 305 | L | 85.7 | Confident | 82.6 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 37% | 0.366 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 177.2 | -71.3 | 173.6 | 0 | 0 | 0 | 110.9 | L301 G302 V308 G309 F334 L337 | L301-L305 WeakPolarHBondContact O-CG 3.4Å; L301-L305 PolarHBondContact O-N 3.42Å; G302-L305 PolarHBondContact O-N 3.45Å; L305-V308 PolarHBondContact O-N 2.94Å; L305-G309 PolarHBondContact O-N 2.87Å; L305-F334 HydrophobicContact CB-CD1 4.47Å; L305-F334 HydrophobicContact CB-CE1 4.01Å; L305-F334 VanDerWaalsContact O-CE1 3.27Å; L305-F334 WeakPolarHBondContact O-CE1 3.37Å; L305-F334 WeakPolarHBondContact O-CZ 3.29Å; L305-L337 HydrophobicContact CD1-CD1 4.28Å; L305-L337 HydrophobicContact CD1-CD2 4.21Å |
| 306 | Q | 85.9 | Confident | 83.5 | Confident | 31 Ų | 31 | 40 Ų | 40 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -51.8 | 177.7 | -177.9 | 174.6 | -41.3 | 0 | 0 | 111.5 | H157 G302 D303 L304 V308 G309 V310 F334 | H157-Q306 PolarHBondContact CE1-NE2 3.19Å; H157-Q306 PolarHBondContact ND1-NE2 2.86Å; G302-Q306 WeakPolarHBondContact O-CB 3.35Å; G302-Q306 PolarHBondContact O-N 3.44Å; D303-Q306 PolarHBondContact O-N 3.24Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; Q306-V308 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 3.41Å; Q306-G309 PolarHBondContact O-N 3.32Å; Q306-G309 VanDerWaalsContact O-N 3.16Å; Q306-V310 WeakPolarHBondContact O-CG2 3.38Å; Q306-V310 PolarHBondContact O-N 3.37Å; Q306-F334 HydrophobicContact CB-CD2 4.45Å; Q306-F334 HydrophobicContact CB-CG 4.4Å; Q306-F334 HydrophobicContact CG-CD2 4.4Å |
| 307 | S | 87.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | V237 N240 D303 L304 V310 L311 | V237-S307 VanDerWaalsContact CG2-O 3.31Å; V237-S307 WeakPolarHBondContact CG2-O 3.49Å; N240-S307 WeakPolarHBondContact ND2-CB 3.43Å; N240-S307 PolarHBondContact ND2-OG 2.96Å; D303-S307 WeakPolarHBondContact O-CB 3.29Å; D303-S307 PolarHBondContact O-N 3.33Å; D303-S307 PolarHBondContact O-OG 3.33Å; L304-S307 WeakPolarHBondContact CA-OG 3.31Å; L304-S307 PolarHBondContact O-OG 3.25Å; S307-V310 PolarHBondContact O-N 3.47Å; S307-L311 WeakPolarHBondContact O-CB 3.4Å; S307-L311 PolarHBondContact O-N 3.48Å |
| 308 | V | 89.3 | Confident | 84.7 | Confident | 53 Ų | 53 | 41.6 Ų | 41.6 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 174.9 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | V237 L304 L305 Q306 L311 I312 | V237-V308 HydrophobicContact CG1-CG2 3.98Å; V237-V308 HydrophobicContact CG2-CG2 4Å; L304-V308 HydrophobicContact CD1-CG2 4.28Å; L304-V308 WeakPolarHBondContact O-CB 3.47Å; L304-V308 VanDerWaalsContact O-CG2 3.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.5Å; L304-V308 PolarHBondContact O-N 3.4Å; L305-V308 PolarHBondContact O-N 2.94Å; Q306-V308 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 3.41Å; V308-L311 WeakPolarHBondContact O-CB 3.38Å; V308-L311 PolarHBondContact O-N 3.05Å; V308-I312 HydrophobicContact CG1-CD1 4.07Å; V308-I312 WeakPolarHBondContact O-CG1 3.45Å; V308-I312 PolarHBondContact O-N 3.36Å |
| 309 | G | 88.1 | Confident | 85.2 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.2 | -29.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L305 Q306 L311 I312 A313 C330 | L305-G309 PolarHBondContact O-N 2.87Å; Q306-G309 PolarHBondContact O-N 3.32Å; Q306-G309 VanDerWaalsContact O-N 3.16Å; G309-L311 VanDerWaalsContact C-N 3.32Å; G309-I312 PolarHBondContact O-N 3.26Å; G309-A313 WeakPolarHBondContact O-CB 3.44Å; G309-A313 PolarHBondContact O-N 3.09Å; G309-C330 VanDerWaalsContact CA-SG 3.51Å; G309-C330 PolarHBondContact O-SG 3.05Å |
| 310 | V | 85.9 | Confident | 85.8 | Confident | 39 Ų | 39 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 168.2 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | M229 A233 Q306 S307 I312 A313 A314 | M229-V310 HydrophobicContact CE-CG1 4.09Å; A233-V310 HydrophobicContact CB-CG1 4.13Å; Q306-V310 WeakPolarHBondContact O-CG2 3.38Å; Q306-V310 PolarHBondContact O-N 3.37Å; S307-V310 PolarHBondContact O-N 3.47Å; V310-I312 PolarHBondContact O-N 3.03Å; V310-A313 PolarHBondContact O-N 3.1Å; V310-A314 WeakPolarHBondContact O-CB 3.44Å; V310-A314 PolarHBondContact O-N 3.45Å |
| 311 | L | 89.8 | Confident | 85.8 | Confident | 47 Ų | 47 | 53.8 Ų | 53.8 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 173.8 | 177.2 | 64.7 | 0 | 0 | 0 | 112.2 | L230 A233 A234 V237 S307 V308 G309 A314 Y315 | L230-L311 HydrophobicContact CD1-CD1 3.87Å; A233-L311 HydrophobicContact CB-CB 4.05Å; A233-L311 HydrophobicContact CB-CD1 4.05Å; A234-L311 HydrophobicContact CB-CD1 4.02Å; V237-L311 HydrophobicContact CB-CD2 4.42Å; V237-L311 HydrophobicContact CG2-CB 4.02Å; V237-L311 HydrophobicContact CG2-CD2 3.95Å; S307-L311 WeakPolarHBondContact O-CB 3.4Å; S307-L311 PolarHBondContact O-N 3.48Å; V308-L311 WeakPolarHBondContact O-CB 3.38Å; V308-L311 PolarHBondContact O-N 3.05Å; G309-L311 VanDerWaalsContact C-N 3.32Å; L311-A314 PolarHBondContact O-N 3.36Å; L311-Y315 WeakPolarHBondContact O-CB 3.48Å; L311-Y315 PolarHBondContact O-N 3.36Å |
| 312 | I | 90 | Very high | 85.7 | Confident | 102 Ų | 102 | 59.1 Ų | 59.1 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.2 | -67.4 | 166.3 | 0 | 0 | 0 | 110.4 | V308 G309 V310 Y315 V316 | V308-I312 HydrophobicContact CG1-CD1 4.07Å; V308-I312 WeakPolarHBondContact O-CG1 3.45Å; V308-I312 PolarHBondContact O-N 3.36Å; G309-I312 PolarHBondContact O-N 3.26Å; V310-I312 PolarHBondContact O-N 3.03Å; I312-Y315 PolarHBondContact O-N 3.15Å; I312-V316 WeakPolarHBondContact O-CG2 3.39Å; I312-V316 PolarHBondContact O-N 3.01Å |
| 313 | A | 86.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G309 V310 Y315 V316 V317 A326 D327 C330 | G309-A313 WeakPolarHBondContact O-CB 3.44Å; G309-A313 PolarHBondContact O-N 3.09Å; V310-A313 PolarHBondContact O-N 3.1Å; A313-Y315 VanDerWaalsContact C-N 3.33Å; A313-Y315 PolarHBondContact O-N 3.25Å; A313-V316 PolarHBondContact O-N 3.43Å; A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 3.11Å; A313-A326 HydrophobicContact CB-CB 4.47Å; A313-D327 HydrophobicContact CB-CB 4.16Å; A313-C330 HydrophobicContact CB-CB 4.32Å |
| 314 | A | 85.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M229 L230 A233 V310 L311 V316 V317 R318 | M229-A314 HydrophobicContact CB-CB 4.42Å; M229-A314 HydrophobicContact CE-CB 4.09Å; M229-A314 HydrophobicContact CG-CB 3.83Å; M229-A314 HydrophobicContact SD-CB 4Å; L230-A314 HydrophobicContact CB-CB 4.42Å; L230-A314 HydrophobicContact CD1-CB 4.16Å; A233-A314 HydrophobicContact CB-CB 4.48Å; V310-A314 WeakPolarHBondContact O-CB 3.44Å; V310-A314 PolarHBondContact O-N 3.45Å; L311-A314 PolarHBondContact O-N 3.36Å; A314-V316 PolarHBondContact O-N 3.05Å; A314-V317 PolarHBondContact O-N 3.14Å; A314-R318 VanDerWaalsContact O-CB 3.28Å; A314-R318 WeakPolarHBondContact O-CB 3.34Å; A314-R318 PolarHBondContact O-N 3.38Å |
| 315 | Y | 89.5 | Confident | 85.5 | Confident | 133 Ų | 133 | 67.6 Ų | 67.6 | 52% | 0.522 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 174.7 | -178.1 | -91.4 | 0 | 0 | 0 | 111.9 | L311 I312 A313 R318 F319 | L311-Y315 WeakPolarHBondContact O-CB 3.48Å; L311-Y315 PolarHBondContact O-N 3.36Å; I312-Y315 PolarHBondContact O-N 3.15Å; A313-Y315 VanDerWaalsContact C-N 3.33Å; A313-Y315 PolarHBondContact O-N 3.25Å; Y315-R318 PolarHBondContact O-N 2.9Å; Y315-F319 HydrophobicContact CD1-CD2 4.29Å; Y315-F319 AromaticContact CD2-CD2 3.93Å; Y315-F319 HydrophobicContact CD2-CD2 3.93Å; Y315-F319 AromaticContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CE1-CD2 4.01Å; Y315-F319 HydrophobicContact CE1-CE2 4.41Å; Y315-F319 AromaticContact CE2-CD2 3.64Å; Y315-F319 HydrophobicContact CE2-CD2 3.64Å; Y315-F319 AromaticContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CZ 4.18Å; Y315-F319 HydrophobicContact CG-CD2 4.25Å; Y315-F319 HydrophobicContact CG-CE2 4.44Å; Y315-F319 AromaticContact CZ-CD2 3.67Å; Y315-F319 AromaticContact CZ-CE2 3.64Å; Y315-F319 WeakPolarHBondContact O-CD2 3.37Å; Y315-F319 PolarHBondContact O-N 3.18Å |
| 316 | V | 87.8 | Confident | 85.5 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | I312 A313 A314 R318 F319 K320 L323 A326 | I312-V316 WeakPolarHBondContact O-CG2 3.39Å; I312-V316 PolarHBondContact O-N 3.01Å; A313-V316 PolarHBondContact O-N 3.43Å; A314-V316 PolarHBondContact O-N 3.05Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 3.01Å; V316-F319 PolarHBondContact O-N 3.08Å; V316-K320 CarbonylContact O-C 3.53Å; V316-K320 WeakPolarHBondContact O-CA 3.27Å; V316-K320 PolarHBondContact O-N 3.28Å; V316-L323 HydrophobicContact CG1-CB 3.89Å; V316-L323 HydrophobicContact CG1-CD1 3.81Å; V316-A326 HydrophobicContact CB-CB 4.25Å; V316-A326 HydrophobicContact CG1-CB 3.9Å |
| 317 | V | 83.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.1 | A313 A314 K320 P321 | A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 3.11Å; A314-V317 PolarHBondContact O-N 3.14Å; V317-K320 CarbonylContact O-C 3.47Å; V317-P321 WeakPolarHBondContact O-CA 3.47Å |
| 318 | R | 85 | Confident | 85.4 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 39% | 0.389 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.5 | -38.9 | -179.1 | 178.6 | 56 | 178.4 | 86.4 | -7.2 | 114.3 | D227 A314 Y315 V316 | D227-R318 IonicContact OD1-CZ 3.07Å; D227-R318 IonicContact OD1-NE 2.82Å; D227-R318 PolarHBondContact OD1-NE 3.2Å; D227-R318 IonicContact OD1-NH2 3.09Å; D227-R318 PolarHBondContact OD1-NH2 3.45Å; D227-R318 IonicContact OD2-CZ 3.95Å; D227-R318 IonicContact OD2-NE 2.74Å; D227-R318 IonicContact OD2-NH2 3.74Å; D227-R318 PolarHBondContact OD2-NH2 2.72Å; A314-R318 VanDerWaalsContact O-CB 3.28Å; A314-R318 WeakPolarHBondContact O-CB 3.34Å; A314-R318 PolarHBondContact O-N 3.38Å; Y315-R318 PolarHBondContact O-N 2.9Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 3.01Å |
| 319 | F | 86.3 | Confident | 85.4 | Confident | 126 Ų | 126 | 65.5 Ų | 65.5 | 55% | 0.553 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -96 | -21.8 | -178.9 | -73.4 | -80.1 | 0 | 0 | 0 | 113.2 | Y315 V316 | Y315-F319 HydrophobicContact CD1-CD2 4.29Å; Y315-F319 AromaticContact CD2-CD2 3.93Å; Y315-F319 HydrophobicContact CD2-CD2 3.93Å; Y315-F319 AromaticContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CE1-CD2 4.01Å; Y315-F319 HydrophobicContact CE1-CE2 4.41Å; Y315-F319 AromaticContact CE2-CD2 3.64Å; Y315-F319 HydrophobicContact CE2-CD2 3.64Å; Y315-F319 AromaticContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CZ 4.18Å; Y315-F319 HydrophobicContact CG-CD2 4.25Å; Y315-F319 HydrophobicContact CG-CE2 4.44Å; Y315-F319 AromaticContact CZ-CD2 3.67Å; Y315-F319 AromaticContact CZ-CE2 3.64Å; Y315-F319 WeakPolarHBondContact O-CD2 3.37Å; Y315-F319 PolarHBondContact O-N 3.18Å; V316-F319 PolarHBondContact O-N 3.08Å |
| 320 | K | 86.8 | Confident | 85.4 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 57% | 0.574 | 33% | 0.326 | S | S | * | . | trans | -136.6 | 79.6 | 178 | -66.9 | -171 | 178.3 | -178.2 | 0 | 109.8 | V316 V317 E322 L323 | V316-K320 CarbonylContact O-C 3.53Å; V316-K320 WeakPolarHBondContact O-CA 3.27Å; V316-K320 PolarHBondContact O-N 3.28Å; V317-K320 CarbonylContact O-C 3.47Å; K320-E322 PolarHBondContact O-N 3.2Å; K320-L323 HydrophobicContact CB-CD1 3.98Å; K320-L323 HydrophobicContact CB-CG 4.22Å; K320-L323 HydrophobicContact CD-CD1 3.82Å; K320-L323 PolarHBondContact O-N 3.48Å | ||
| 321 | P | 78.2 | Confident | 85.5 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -63.3 | -14.3 | -178.7 | 25.7 | -34.7 | 0 | 0 | 0 | 113.5 | V317 L323 K324 | V317-P321 WeakPolarHBondContact O-CA 3.47Å; P321-L323 PolarHBondContact O-N 3.46Å; P321-K324 WeakPolarHBondContact O-CG 3.48Å |
| 322 | E | 80.4 | Confident | 85.6 | Confident | 190 Ų | 190 | 66.9 Ų | 66.9 | 89% | 0.888 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.5 | 171.1 | -61.1 | 178.2 | -178.4 | 0 | 0 | 112.8 | K320 K324 | K320-E322 PolarHBondContact O-N 3.2Å; E322-K324 PolarHBondContact O-N 2.85Å |
| 323 | L | 82.6 | Confident | 85.7 | Confident | 87 Ų | 87 | 67.1 Ų | 67.1 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -95.7 | 45.1 | -179.2 | -61.9 | 176.7 | 0 | 0 | 0 | 112.2 | V316 K320 P321 L325 A326 | V316-L323 HydrophobicContact CG1-CB 3.89Å; V316-L323 HydrophobicContact CG1-CD1 3.81Å; K320-L323 HydrophobicContact CB-CD1 3.98Å; K320-L323 HydrophobicContact CB-CG 4.22Å; K320-L323 HydrophobicContact CD-CD1 3.82Å; K320-L323 PolarHBondContact O-N 3.48Å; P321-L323 PolarHBondContact O-N 3.46Å; L323-L325 PolarHBondContact O-N 2.81Å; L323-A326 WeakPolarHBondContact O-CB 3.22Å; L323-A326 PolarHBondContact O-N 3.43Å |
| 324 | K | 78.4 | Confident | 85.7 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.9 | 178.4 | -59.5 | -164.3 | 174.3 | -171.7 | 0 | 113.9 | F222 P321 E322 A326 | F222-K324 PolarHBondContact O-NZ 2.9Å; P321-K324 WeakPolarHBondContact O-CG 3.48Å; E322-K324 PolarHBondContact O-N 2.85Å; K324-A326 VanDerWaalsContact C-N 3.25Å; K324-A326 PolarHBondContact O-N 2.95Å |
| 325 | L | 84.1 | Confident | 85.9 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7 | 177.9 | -70.1 | 178.2 | 0 | 0 | 0 | 114.3 | T217 L323 D327 P328 I329 | T217-L325 HydrophobicContact CG2-CD2 4.16Å; L323-L325 PolarHBondContact O-N 2.81Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 2.82Å; L325-P328 WeakPolarHBondContact O-CD 3.48Å; L325-I329 HydrophobicContact CB-CD1 4.24Å; L325-I329 WeakPolarHBondContact O-CB 2.93Å; L325-I329 WeakPolarHBondContact O-CD1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.15Å; L325-I329 PolarHBondContact O-N 3.34Å; L325-I329 VanDerWaalsContact O-N 3.15Å |
| 326 | A | 84.6 | Confident | 85.9 | Confident | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.2 | -39.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A313 V316 L323 K324 C330 | A313-A326 HydrophobicContact CB-CB 4.47Å; V316-A326 HydrophobicContact CB-CB 4.25Å; V316-A326 HydrophobicContact CG1-CB 3.9Å; L323-A326 WeakPolarHBondContact O-CB 3.22Å; L323-A326 PolarHBondContact O-N 3.43Å; K324-A326 VanDerWaalsContact C-N 3.25Å; K324-A326 PolarHBondContact O-N 2.95Å; A326-C330 VanDerWaalsContact O-CB 3.31Å; A326-C330 WeakPolarHBondContact O-CB 3.35Å; A326-C330 PolarHBondContact O-N 2.72Å; A326-C330 VanDerWaalsContact O-N 3.08Å |
| 327 | D | 83.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.043 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.5 | -56 | 179.6 | 175 | 67.7 | 0 | 0 | 0 | 112.4 | R216 M229 A313 L325 I329 C330 T331 | R216-D327 IonicContact NH1-OD2 2.9Å; R216-D327 PolarHBondContact NH1-OD2 2.87Å; M229-D327 HydrophobicContact CE-CB 4.27Å; M229-D327 WeakPolarHBondContact CE-OD1 3.31Å; A313-D327 HydrophobicContact CB-CB 4.16Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 2.82Å; D327-I329 VanDerWaalsContact C-N 3.34Å; D327-I329 PolarHBondContact O-N 3.37Å; D327-C330 WeakPolarHBondContact O-CA 3.33Å; D327-C330 WeakPolarHBondContact O-CB 2.96Å; D327-C330 PolarHBondContact O-N 3.43Å; D327-T331 PolarHBondContact O-N 3.4Å; D327-T331 PolarHBondContact O-OG1 2.9Å; D327-T331 VanDerWaalsContact O-OG1 3.11Å |
| 328 | P | 87.6 | Confident | 86 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57 | -40 | 175.3 | -27.5 | 33.3 | 0 | 0 | 0 | 114.8 | A213 R216 T217 L325 C330 T331 Y332 | A213-P328 HydrophobicContact CB-CB 4.27Å; R216-P328 HydrophobicContact CB-CG 4.04Å; T217-P328 WeakPolarHBondContact OG1-CB 3.32Å; L325-P328 WeakPolarHBondContact O-CD 3.48Å; P328-C330 VanDerWaalsContact C-N 3.28Å; P328-C330 PolarHBondContact O-N 3.35Å; P328-T331 PolarHBondContact O-N 3.11Å; P328-Y332 HydrophobicContact CB-CE2 4.26Å; P328-Y332 WeakPolarHBondContact O-CD2 3.04Å; P328-Y332 PolarHBondContact O-N 3.39Å |
| 329 | I | 89.7 | Confident | 86.2 | Confident | 92 Ų | 92 | 66 Ų | 66 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 176.9 | -68.8 | 168 | 0 | 0 | 0 | 110.4 | L325 D327 Y332 I333 | L325-I329 HydrophobicContact CB-CD1 4.24Å; L325-I329 WeakPolarHBondContact O-CB 2.93Å; L325-I329 WeakPolarHBondContact O-CD1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.15Å; L325-I329 PolarHBondContact O-N 3.34Å; L325-I329 VanDerWaalsContact O-N 3.15Å; D327-I329 VanDerWaalsContact C-N 3.34Å; D327-I329 PolarHBondContact O-N 3.37Å; I329-Y332 PolarHBondContact O-N 3.48Å; I329-I333 HydrophobicContact CG2-CD1 4.01Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.38Å; I329-I333 VanDerWaalsContact O-N 3.14Å |
| 330 | C | 88 | Confident | 86.3 | Confident | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.142 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.6 | -154.9 | 0 | 0 | 0 | 0 | 111.3 | G309 A313 A326 D327 P328 Y332 I333 F334 | G309-C330 VanDerWaalsContact CA-SG 3.51Å; G309-C330 PolarHBondContact O-SG 3.05Å; A313-C330 HydrophobicContact CB-CB 4.32Å; A326-C330 VanDerWaalsContact O-CB 3.31Å; A326-C330 WeakPolarHBondContact O-CB 3.35Å; A326-C330 PolarHBondContact O-N 2.72Å; A326-C330 VanDerWaalsContact O-N 3.08Å; D327-C330 WeakPolarHBondContact O-CA 3.33Å; D327-C330 WeakPolarHBondContact O-CB 2.96Å; D327-C330 PolarHBondContact O-N 3.43Å; P328-C330 VanDerWaalsContact C-N 3.28Å; P328-C330 PolarHBondContact O-N 3.35Å; C330-Y332 PolarHBondContact O-N 3.23Å; C330-I333 PolarHBondContact O-N 2.96Å; C330-F334 WeakPolarHBondContact O-CD2 3.35Å; C330-F334 PolarHBondContact O-N 2.94Å; C330-F334 WeakPolarHBondContact SG-CE2 3.32Å |
| 331 | T | 87.9 | Confident | 86.2 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 16% | 0.16 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 176.8 | -45.1 | 0 | 0 | 0 | 0 | 112.5 | L209 A213 D327 P328 F334 S335 | L209-T331 HydrophobicContact CB-CG2 4.14Å; A213-T331 HydrophobicContact CB-CG2 3.97Å; D327-T331 PolarHBondContact O-N 3.4Å; D327-T331 PolarHBondContact O-OG1 2.9Å; D327-T331 VanDerWaalsContact O-OG1 3.11Å; P328-T331 PolarHBondContact O-N 3.11Å; T331-F334 PolarHBondContact O-N 3.28Å; T331-S335 VanDerWaalsContact O-CB 3.28Å; T331-S335 WeakPolarHBondContact O-CB 3.45Å; T331-S335 PolarHBondContact O-N 2.89Å; T331-S335 PolarHBondContact O-OG 2.96Å |
| 332 | Y | 92 | Very high | 86.5 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.7 | -64.9 | -44.6 | 0 | 0 | 0 | 112.1 | L210 A213 V214 T217 P328 I329 C330 F334 S335 V336 | L210-Y332 HydrophobicContact CD2-CD1 3.57Å; L210-Y332 HydrophobicContact CD2-CE1 4.08Å; A213-Y332 HydrophobicContact CB-CD1 4.5Å; A213-Y332 HydrophobicContact CB-CE1 3.92Å; A213-Y332 PolarHBondContact O-OH 3.34Å; V214-Y332 VanDerWaalsContact CA-OH 3.27Å; V214-Y332 WeakPolarHBondContact CA-OH 3.47Å; V214-Y332 HydrophobicContact CG2-CE1 3.99Å; V214-Y332 WeakPolarHBondContact CG2-OH 3.29Å; V214-Y332 PolarHBondContact N-OH 3.4Å; T217-Y332 PolarHBondContact OG1-OH 3.3Å; P328-Y332 HydrophobicContact CB-CE2 4.26Å; P328-Y332 WeakPolarHBondContact O-CD2 3.04Å; P328-Y332 PolarHBondContact O-N 3.39Å; I329-Y332 PolarHBondContact O-N 3.48Å; C330-Y332 PolarHBondContact O-N 3.23Å; Y332-F334 PolarHBondContact O-N 3.27Å; Y332-S335 PolarHBondContact O-N 3.26Å; Y332-V336 WeakPolarHBondContact O-CG2 3.32Å; Y332-V336 PolarHBondContact O-N 2.91Å |
| 333 | I | 91.3 | Very high | 86.8 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 54% | 0.544 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 179.6 | -68.1 | 168.3 | 0 | 0 | 0 | 110.3 | I329 C330 V336 L337 | I329-I333 HydrophobicContact CG2-CD1 4.01Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.38Å; I329-I333 VanDerWaalsContact O-N 3.14Å; C330-I333 PolarHBondContact O-N 2.96Å; I333-V336 PolarHBondContact O-N 3.48Å; I333-L337 PolarHBondContact O-N 3.07Å; I333-L337 VanDerWaalsContact O-N 3.12Å |
| 334 | F | 87.3 | Confident | 86.8 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.1 | -36 | -179.4 | -71.8 | -55.8 | 0 | 0 | 0 | 113.5 | L305 Q306 C330 T331 Y332 V336 L337 V338 | L305-F334 HydrophobicContact CB-CD1 4.47Å; L305-F334 HydrophobicContact CB-CE1 4.01Å; L305-F334 VanDerWaalsContact O-CE1 3.27Å; L305-F334 WeakPolarHBondContact O-CE1 3.37Å; L305-F334 WeakPolarHBondContact O-CZ 3.29Å; Q306-F334 HydrophobicContact CB-CD2 4.45Å; Q306-F334 HydrophobicContact CB-CG 4.4Å; Q306-F334 HydrophobicContact CG-CD2 4.4Å; C330-F334 WeakPolarHBondContact O-CD2 3.35Å; C330-F334 PolarHBondContact O-N 2.94Å; C330-F334 WeakPolarHBondContact SG-CE2 3.32Å; T331-F334 PolarHBondContact O-N 3.28Å; Y332-F334 PolarHBondContact O-N 3.27Å; F334-V336 VanDerWaalsContact C-N 3.26Å; F334-V336 PolarHBondContact O-N 3.43Å; F334-L337 CarbonylContact O-C 3.6Å; F334-L337 WeakPolarHBondContact O-CB 3.4Å; F334-L337 PolarHBondContact O-N 2.97Å; F334-V338 WeakPolarHBondContact O-CB 3.4Å; F334-V338 WeakPolarHBondContact O-CG2 3.26Å; F334-V338 PolarHBondContact O-N 3.44Å |
| 335 | S | 88.9 | Confident | 87 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 177 | -63 | 0 | 0 | 0 | 0 | 111 | L210 T331 Y332 L339 | L210-S335 WeakPolarHBondContact CD2-OG 3.21Å; L210-S335 WeakPolarHBondContact CG-OG 3.48Å; T331-S335 VanDerWaalsContact O-CB 3.28Å; T331-S335 WeakPolarHBondContact O-CB 3.45Å; T331-S335 PolarHBondContact O-N 2.89Å; T331-S335 PolarHBondContact O-OG 2.96Å; Y332-S335 PolarHBondContact O-N 3.26Å; S335-L339 WeakPolarHBondContact O-CB 3.48Å; S335-L339 VanDerWaalsContact O-CG 3.22Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 3.44Å |
| 336 | V | 91.1 | Very high | 87.1 | Confident | 101 Ų | 101 | 53.9 Ų | 53.9 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 173 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | Y332 I333 F334 L339 F340 | Y332-V336 WeakPolarHBondContact O-CG2 3.32Å; Y332-V336 PolarHBondContact O-N 2.91Å; I333-V336 PolarHBondContact O-N 3.48Å; F334-V336 VanDerWaalsContact C-N 3.26Å; F334-V336 PolarHBondContact O-N 3.43Å; V336-L339 PolarHBondContact O-N 3.33Å; V336-F340 WeakPolarHBondContact O-CB 3.36Å; V336-F340 PolarHBondContact O-N 3.37Å |
| 337 | L | 88 | Confident | 87.3 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.7 | -171.9 | 158 | 0 | 0 | 0 | 111.9 | L305 I333 F334 F340 T341 | L305-L337 HydrophobicContact CD1-CD1 4.28Å; L305-L337 HydrophobicContact CD1-CD2 4.21Å; I333-L337 PolarHBondContact O-N 3.07Å; I333-L337 VanDerWaalsContact O-N 3.12Å; F334-L337 CarbonylContact O-C 3.6Å; F334-L337 WeakPolarHBondContact O-CB 3.4Å; F334-L337 PolarHBondContact O-N 2.97Å; L337-F340 PolarHBondContact O-N 3Å; L337-T341 HydrophobicContact CD2-CG2 3.94Å; L337-T341 WeakPolarHBondContact O-CG2 3.45Å; L337-T341 PolarHBondContact O-N 3.48Å; L337-T341 PolarHBondContact O-OG1 3.31Å |
| 338 | V | 85.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | I202 F334 F340 T341 T342 | I202-V338 HydrophobicContact CG2-CG1 3.46Å; I202-V338 VanDerWaalsContact CG2-CG1 3.46Å; F334-V338 WeakPolarHBondContact O-CB 3.4Å; F334-V338 WeakPolarHBondContact O-CG2 3.26Å; F334-V338 PolarHBondContact O-N 3.44Å; V338-F340 PolarHBondContact O-N 3.05Å; V338-T341 PolarHBondContact O-N 3Å; V338-T341 PolarHBondContact O-OG1 3.37Å; V338-T341 VanDerWaalsContact O-OG1 3.04Å; V338-T342 HydrophobicContact CG1-CG2 4.28Å; V338-T342 WeakPolarHBondContact O-CB 3.35Å; V338-T342 WeakPolarHBondContact O-CG2 3.36Å; V338-T342 PolarHBondContact O-N 3.23Å; V338-T342 PolarHBondContact O-OG1 3.07Å |
| 339 | L | 87.9 | Confident | 87.2 | Confident | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 174.9 | -71.9 | 170.6 | 0 | 0 | 0 | 111.6 | Y203 S335 V336 T341 T342 V343 | Y203-L339 HydrophobicContact CD1-CD2 4.14Å; Y203-L339 HydrophobicContact CE1-CD2 3.76Å; Y203-L339 HydrophobicContact CE2-CD2 4.36Å; S335-L339 WeakPolarHBondContact O-CB 3.48Å; S335-L339 VanDerWaalsContact O-CG 3.22Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 3.44Å; V336-L339 PolarHBondContact O-N 3.33Å; L339-T341 PolarHBondContact O-N 3.38Å; L339-T342 PolarHBondContact O-OG1 3.45Å; L339-V343 WeakPolarHBondContact O-CG2 3.26Å; L339-V343 PolarHBondContact O-N 3.39Å |
| 340 | F | 89.1 | Confident | 87.2 | Confident | 168 Ų | 168 | 60.7 Ų | 60.7 | 74% | 0.737 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | -179.6 | -179.4 | -98.3 | 0 | 0 | 0 | 113 | V336 L337 V338 | V336-F340 WeakPolarHBondContact O-CB 3.36Å; V336-F340 PolarHBondContact O-N 3.37Å; L337-F340 PolarHBondContact O-N 3Å; V338-F340 PolarHBondContact O-N 3.05Å |
| 341 | T | 84 | Confident | 87.3 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | -177.7 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | L337 V338 L339 | L337-T341 HydrophobicContact CD2-CG2 3.94Å; L337-T341 WeakPolarHBondContact O-CG2 3.45Å; L337-T341 PolarHBondContact O-N 3.48Å; L337-T341 PolarHBondContact O-OG1 3.31Å; V338-T341 PolarHBondContact O-N 3Å; V338-T341 PolarHBondContact O-OG1 3.37Å; V338-T341 VanDerWaalsContact O-OG1 3.04Å; L339-T341 PolarHBondContact O-N 3.38Å |
| 342 | T | 83.8 | Confident | 87.3 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.4 | -28.4 | -179.1 | 53 | 0 | 0 | 0 | 0 | 113.8 | V199 Y203 V338 L339 R344 I345 I346 | V199-T342 HydrophobicContact CG1-CG2 4.45Å; Y203-T342 HydrophobicContact CE1-CG2 4.26Å; Y203-T342 WeakPolarHBondContact CE1-OG1 3.29Å; Y203-T342 PolarHBondContact OH-OG1 3.05Å; V338-T342 HydrophobicContact CG1-CG2 4.28Å; V338-T342 WeakPolarHBondContact O-CB 3.35Å; V338-T342 WeakPolarHBondContact O-CG2 3.36Å; V338-T342 PolarHBondContact O-N 3.23Å; V338-T342 PolarHBondContact O-OG1 3.07Å; L339-T342 PolarHBondContact O-OG1 3.45Å; T342-R344 PolarHBondContact O-N 2.98Å; T342-R344 VanDerWaalsContact O-N 3.12Å; T342-I345 WeakPolarHBondContact O-CA 3.47Å; T342-I345 WeakPolarHBondContact O-CB 3.38Å; T342-I345 PolarHBondContact O-N 3.33Å; T342-I346 PolarHBondContact O-N 2.96Å |
| 343 | V | 86.9 | Confident | 87.2 | Confident | 70 Ų | 70 | 62 Ų | 62 | 42% | 0.424 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.5 | -36.2 | 176.1 | 162.1 | 0 | 0 | 0 | 0 | 111.7 | L339 R347 | L339-V343 WeakPolarHBondContact O-CG2 3.26Å; L339-V343 PolarHBondContact O-N 3.39Å; V343-R347 WeakPolarHBondContact O-CB 3.33Å; V343-R347 PolarHBondContact O-N 3.19Å |
| 344 | R | 83.3 | Confident | 87.2 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 53% | 0.525 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.2 | -171 | -177 | 176.6 | 110.6 | 0.6 | 112 | T342 R347 D348 | T342-R344 PolarHBondContact O-N 2.98Å; T342-R344 VanDerWaalsContact O-N 3.12Å; R344-R347 PolarHBondContact O-N 3.12Å; R344-D348 VanDerWaalsContact O-CG 3.25Å; R344-D348 PolarHBondContact O-N 3.18Å; R344-D348 VanDerWaalsContact O-N 3.11Å |
| 345 | I | 82.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 9% | 0.087 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 179.5 | -59.9 | 176.2 | 0 | 0 | 0 | 109.7 | V199 I298 T342 R347 D348 T349 | V199-I345 HydrophobicContact CG2-CG2 4Å; I298-I345 HydrophobicContact CB-CD1 4.23Å; I298-I345 HydrophobicContact CD1-CD1 4Å; I298-I345 HydrophobicContact CD1-CG1 4.35Å; I298-I345 HydrophobicContact CG2-CD1 4.02Å; T342-I345 WeakPolarHBondContact O-CA 3.47Å; T342-I345 WeakPolarHBondContact O-CB 3.38Å; T342-I345 PolarHBondContact O-N 3.33Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 3.39Å; I345-D348 PolarHBondContact O-N 3.39Å; I345-T349 WeakPolarHBondContact O-CB 3.4Å; I345-T349 PolarHBondContact O-N 3.06Å; I345-T349 PolarHBondContact O-OG1 3.25Å |
| 346 | I | 86.2 | Confident | 87.5 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 177.6 | -66.1 | 177.7 | 0 | 0 | 0 | 110.6 | V199 Y203 T342 D348 T349 I350 | V199-I346 HydrophobicContact CB-CG1 4.47Å; V199-I346 HydrophobicContact CG1-CD1 3.63Å; V199-I346 HydrophobicContact CG1-CG1 3.59Å; Y203-I346 HydrophobicContact CE1-CD1 4.48Å; Y203-I346 HydrophobicContact CE2-CD1 3.54Å; Y203-I346 VanDerWaalsContact OH-CD1 3.23Å; Y203-I346 WeakPolarHBondContact OH-CD1 3.22Å; T342-I346 PolarHBondContact O-N 2.96Å; I346-D348 VanDerWaalsContact C-N 3.33Å; I346-D348 PolarHBondContact O-N 2.91Å; I346-T349 PolarHBondContact O-N 3.21Å; I346-I350 HydrophobicContact CG2-CD1 3.51Å; I346-I350 HydrophobicContact CG2-CG1 4.12Å; I346-I350 WeakPolarHBondContact O-CB 3.28Å; I346-I350 VanDerWaalsContact O-CG1 3.27Å; I346-I350 WeakPolarHBondContact O-CG1 3.22Å; I346-I350 PolarHBondContact O-N 3.47Å |
| 347 | R | 87.8 | Confident | 87.5 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.5 | -44.2 | 178.6 | -174.7 | -176.5 | -73.1 | 154.2 | -2.8 | 111.8 | V343 R344 I345 T349 V351 R359 | V343-R347 WeakPolarHBondContact O-CB 3.33Å; V343-R347 PolarHBondContact O-N 3.19Å; R344-R347 PolarHBondContact O-N 3.12Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 3.39Å; R347-T349 VanDerWaalsContact C-N 3.32Å; R347-V351 VanDerWaalsContact O-CG2 3.32Å; R347-V351 WeakPolarHBondContact O-CG2 3.48Å; R347-V351 PolarHBondContact O-N 3.37Å; R347-R359 VanDerWaalsContact CD-NH2 3.32Å |
| 348 | D | 84.1 | Confident | 87.4 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 179.8 | -68.5 | 6 | 0 | 0 | 0 | 110.7 | R344 I345 I346 V351 I352 R359 | R344-D348 VanDerWaalsContact O-CG 3.25Å; R344-D348 PolarHBondContact O-N 3.18Å; R344-D348 VanDerWaalsContact O-N 3.11Å; I345-D348 PolarHBondContact O-N 3.39Å; I346-D348 VanDerWaalsContact C-N 3.33Å; I346-D348 PolarHBondContact O-N 2.91Å; D348-V351 PolarHBondContact O-N 3.39Å; D348-I352 WeakPolarHBondContact O-CG1 3.49Å; D348-I352 PolarHBondContact O-N 3.04Å; D348-R359 IonicContact OD1-CZ 2.72Å; D348-R359 IonicContact OD1-NE 2.87Å; D348-R359 IonicContact OD1-NH1 3.26Å; D348-R359 PolarHBondContact OD1-NH1 2.85Å; D348-R359 IonicContact OD1-NH2 2.97Å; D348-R359 PolarHBondContact OD1-NH2 3.26Å; D348-R359 IonicContact OD2-NH1 2.74Å; D348-R359 PolarHBondContact OD2-NH1 2.97Å |
| 349 | T | 85.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.5 | -43 | 179 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | V192 V196 I345 I346 R347 V351 I352 V353 | V192-T349 HydrophobicContact CG1-CG2 3.59Å; V196-T349 HydrophobicContact CB-CG2 4.46Å; V196-T349 HydrophobicContact CG2-CG2 3.13Å; I345-T349 WeakPolarHBondContact O-CB 3.4Å; I345-T349 PolarHBondContact O-N 3.06Å; I345-T349 PolarHBondContact O-OG1 3.25Å; I346-T349 PolarHBondContact O-N 3.21Å; R347-T349 VanDerWaalsContact C-N 3.32Å; T349-V351 VanDerWaalsContact C-N 3.29Å; T349-V351 PolarHBondContact O-N 2.9Å; T349-I352 PolarHBondContact O-N 3.31Å; T349-I352 VanDerWaalsContact O-N 3.11Å; T349-V353 HydrophobicContact CG2-CG2 4.42Å; T349-V353 WeakPolarHBondContact O-CG2 3.29Å; T349-V353 PolarHBondContact O-N 3.16Å |
| 350 | I | 89.7 | Confident | 87.1 | Confident | 87 Ų | 87 | 71 Ų | 71 | 45% | 0.446 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.1 | -73 | 171.8 | 0 | 0 | 0 | 110.5 | I346 I352 V353 L354 | I346-I350 HydrophobicContact CG2-CD1 3.51Å; I346-I350 HydrophobicContact CG2-CG1 4.12Å; I346-I350 WeakPolarHBondContact O-CB 3.28Å; I346-I350 VanDerWaalsContact O-CG1 3.27Å; I346-I350 WeakPolarHBondContact O-CG1 3.22Å; I346-I350 PolarHBondContact O-N 3.47Å; I350-I352 VanDerWaalsContact C-N 3.27Å; I350-I352 PolarHBondContact O-N 2.86Å; I350-V353 PolarHBondContact O-N 3.06Å; I350-L354 HydrophobicContact CG2-CD1 3.54Å; I350-L354 HydrophobicContact CG2-CG 4.12Å; I350-L354 WeakPolarHBondContact O-CB 3.09Å; I350-L354 WeakPolarHBondContact O-CG 3.35Å; I350-L354 PolarHBondContact O-N 2.97Å |
| 351 | V | 89.4 | Confident | 87 | Confident | 52 Ų | 52 | 63.7 Ų | 63.7 | 32% | 0.315 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | R347 D348 T349 E355 G356 | R347-V351 VanDerWaalsContact O-CG2 3.32Å; R347-V351 WeakPolarHBondContact O-CG2 3.48Å; R347-V351 PolarHBondContact O-N 3.37Å; D348-V351 PolarHBondContact O-N 3.39Å; T349-V351 VanDerWaalsContact C-N 3.29Å; T349-V351 PolarHBondContact O-N 2.9Å; V351-E355 PolarHBondContact O-N 3.36Å; V351-G356 WeakPolarHBondContact O-CA 3.34Å; V351-G356 PolarHBondContact O-N 2.96Å |
| 352 | I | 89.2 | Confident | 87.3 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.1 | -42 | 178.5 | -60.3 | 164.3 | 0 | 0 | 0 | 111.5 | V192 L291 D348 T349 I350 L354 E355 A386 | V192-I352 HydrophobicContact CB-CG2 4.49Å; V192-I352 HydrophobicContact CG1-CB 4.14Å; V192-I352 HydrophobicContact CG1-CG2 4.06Å; V192-I352 HydrophobicContact CG2-CB 4.49Å; V192-I352 HydrophobicContact CG2-CD1 4.42Å; V192-I352 HydrophobicContact CG2-CG2 3.72Å; L291-I352 HydrophobicContact CD2-CD1 4.19Å; D348-I352 WeakPolarHBondContact O-CG1 3.49Å; D348-I352 PolarHBondContact O-N 3.04Å; T349-I352 PolarHBondContact O-N 3.31Å; T349-I352 VanDerWaalsContact O-N 3.11Å; I350-I352 VanDerWaalsContact C-N 3.27Å; I350-I352 PolarHBondContact O-N 2.86Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3.31Å; I352-E355 PolarHBondContact O-N 3.04Å; I352-A386 HydrophobicContact CG1-CB 4Å; I352-A386 HydrophobicContact CG2-CB 4.28Å |
| 353 | V | 89.7 | Confident | 87.7 | Confident | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.485 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | V192 T349 I350 E355 | V192-V353 HydrophobicContact CG1-CG2 3.81Å; T349-V353 HydrophobicContact CG2-CG2 4.42Å; T349-V353 WeakPolarHBondContact O-CG2 3.29Å; T349-V353 PolarHBondContact O-N 3.16Å; I350-V353 PolarHBondContact O-N 3.06Å; V353-E355 PolarHBondContact O-N 2.9Å |
| 354 | L | 91.6 | Very high | 88 | Confident | 131 Ų | 131 | 68 Ų | 68 | 69% | 0.686 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 14.3 | 177.4 | -64.2 | 178.9 | 0 | 0 | 0 | 113.6 | I350 I352 G356 | I350-L354 HydrophobicContact CG2-CD1 3.54Å; I350-L354 HydrophobicContact CG2-CG 4.12Å; I350-L354 WeakPolarHBondContact O-CB 3.09Å; I350-L354 WeakPolarHBondContact O-CG 3.35Å; I350-L354 PolarHBondContact O-N 2.97Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3.31Å; L354-G356 PolarHBondContact O-N 3.01Å; L354-G356 VanDerWaalsContact O-N 3.16Å |
| 355 | E | 91.9 | Very high | 88.4 | Confident | 103 Ų | 103 | 69 Ų | 69 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.8 | 179 | -49 | -165.3 | 148.4 | 0 | 0 | 113.7 | R189 V351 I352 V353 W385 | R189-E355 IonicContact CZ-OE1 2.85Å; R189-E355 IonicContact NH1-OE1 3.52Å; R189-E355 PolarHBondContact NH1-OE1 3.36Å; R189-E355 IonicContact NH2-OE1 2.9Å; R189-E355 PolarHBondContact NH2-OE1 2.99Å; V351-E355 PolarHBondContact O-N 3.36Å; I352-E355 PolarHBondContact O-N 3.04Å; V353-E355 PolarHBondContact O-N 2.9Å; E355-W385 HydrophobicContact CB-CB 4.03Å; E355-W385 WeakPolarHBondContact O-CB 3.42Å |
| 356 | G | 90.1 | Very high | 89 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 160.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V351 L354 A386 | V351-G356 WeakPolarHBondContact O-CA 3.34Å; V351-G356 PolarHBondContact O-N 2.96Å; L354-G356 PolarHBondContact O-N 3.01Å; L354-G356 VanDerWaalsContact O-N 3.16Å; G356-A386 PolarHBondContact O-N 2.91Å |
| 357 | V | 91 | Very high | 89.3 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 35% | 0.345 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 130.6 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L361 T363 V384 | V357-L361 HydrophobicContact CG1-CB 4.1Å; V357-T363 HydrophobicContact CB-CG2 4.49Å; V357-T363 HydrophobicContact CG1-CG2 3.93Å; V357-T363 HydrophobicContact CG2-CG2 3.74Å; V357-V384 WeakPolarHBondContact CG2-O 3.42Å |
| 358 | P | 86.6 | Confident | 89.7 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.5 | 176.4 | 30.1 | -36.6 | 0 | 0 | 0 | 111.3 | H360 L361 A386 T392 | P358-H360 PolarHBondContact O-N 3.35Å; P358-L361 HydrophobicContact CG-CB 4.17Å; P358-L361 HydrophobicContact CG-CD1 3.57Å; P358-L361 HydrophobicContact CG-CG 3.85Å; P358-L361 PolarHBondContact O-N 3.33Å; P358-A386 HydrophobicContact CB-CB 4.34Å; P358-T392 HydrophobicContact CG-CG2 3.85Å |
| 359 | R | 83.4 | Confident | 90.1 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 53% | 0.532 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.2 | -172.5 | -69.2 | -170.2 | 176.9 | 136.6 | 11.1 | 116.3 | R347 D348 | R347-R359 VanDerWaalsContact CD-NH2 3.32Å; D348-R359 IonicContact OD1-CZ 2.72Å; D348-R359 IonicContact OD1-NE 2.87Å; D348-R359 IonicContact OD1-NH1 3.26Å; D348-R359 PolarHBondContact OD1-NH1 2.85Å; D348-R359 IonicContact OD1-NH2 2.97Å; D348-R359 PolarHBondContact OD1-NH2 3.26Å; D348-R359 IonicContact OD2-NH1 2.74Å; D348-R359 PolarHBondContact OD2-NH1 2.97Å |
| 360 | H | 82.7 | Confident | 90.5 | Very high | 101 Ų | 101 | 68 Ų | 68 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -10.6 | -179.7 | 62.3 | -94.9 | 0 | 0 | 0 | 112.9 | P358 | P358-H360 PolarHBondContact O-N 3.35Š|
| 361 | L | 86.7 | Confident | 90.7 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | trans | -103.5 | 131.5 | 178.6 | -63.7 | -179.3 | 0 | 0 | 0 | 110.5 | V357 P358 I366 V384 T392 Y423 L425 | V357-L361 HydrophobicContact CG1-CB 4.1Å; P358-L361 HydrophobicContact CG-CB 4.17Å; P358-L361 HydrophobicContact CG-CD1 3.57Å; P358-L361 HydrophobicContact CG-CG 3.85Å; P358-L361 PolarHBondContact O-N 3.33Å; L361-I366 HydrophobicContact CB-CD1 4.36Å; L361-I366 HydrophobicContact CD2-CD1 4.49Å; L361-V384 HydrophobicContact CD1-CG1 3.68Å; L361-T392 HydrophobicContact CD1-CG2 4.48Å; L361-Y423 HydrophobicContact CD2-CD1 4.17Å; L361-L425 HydrophobicContact CD1-CD2 3.74Å | ||
| 362 | D | 91.2 | Very high | 90.9 | Very high | 66 Ų | 66 | 71.9 Ų | 71.9 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | trans | -107.1 | 108.1 | 171.3 | -174.5 | -8.8 | 0 | 0 | 0 | 108.7 | Q364 R365 I366 | D362-Q364 PolarHBondContact O-N 3.36Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.48Å; D362-Q364 PolarHBondContact OD1-N 3.33Å; D362-R365 HydrophobicContact CB-CB 4.21Å; D362-R365 HydrophobicContact CB-CG 4.08Å; D362-R365 PolarHBondContact O-N 3.24Å; D362-R365 WeakPolarHBondContact OD2-CG 3.45Å; D362-R365 IonicContact OD2-NE 3.33Å; D362-R365 PolarHBondContact OD2-NE 3.26Å; D362-I366 WeakPolarHBondContact O-CG1 3.24Å; D362-I366 PolarHBondContact O-N 2.75Å; D362-I366 VanDerWaalsContact O-N 3.12Å | ||
| 363 | T | 91.4 | Very high | 91 | Very high | 41 Ų | 41 | 72.7 Ų | 72.7 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.8 | -30.2 | 179.2 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | V357 K367 L382 | V357-T363 HydrophobicContact CB-CG2 4.49Å; V357-T363 HydrophobicContact CG1-CG2 3.93Å; V357-T363 HydrophobicContact CG2-CG2 3.74Å; T363-K367 WeakPolarHBondContact O-CB 3.4Å; T363-K367 PolarHBondContact O-N 3.41Å; T363-L382 WeakPolarHBondContact O-CD2 3.47Å |
| 364 | Q | 92.8 | Very high | 90.9 | Very high | 113 Ų | 113 | 75.4 Ų | 75.4 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.9 | -45.8 | -180 | -64.4 | -61.2 | -29.2 | 0 | 0 | 110.7 | D362 I366 K367 E368 | D362-Q364 PolarHBondContact O-N 3.36Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.48Å; D362-Q364 PolarHBondContact OD1-N 3.33Å; Q364-I366 VanDerWaalsContact C-N 3.35Å; Q364-I366 PolarHBondContact O-N 2.88Å; Q364-K367 WeakPolarHBondContact O-CB 3.37Å; Q364-K367 PolarHBondContact O-N 3.41Å; Q364-K367 VanDerWaalsContact O-N 3.17Å; Q364-E368 WeakPolarHBondContact O-CG 3.43Å; Q364-E368 PolarHBondContact O-N 3.23Å |
| 365 | R | 93.2 | Very high | 90.7 | Very high | 159 Ų | 159 | 71.6 Ų | 71.6 | 60% | 0.6 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 175.9 | -66.3 | 179.8 | -169 | -162.6 | -5.1 | 112.4 | D362 K367 E368 D369 Y423 | D362-R365 HydrophobicContact CB-CB 4.21Å; D362-R365 HydrophobicContact CB-CG 4.08Å; D362-R365 PolarHBondContact O-N 3.24Å; D362-R365 WeakPolarHBondContact OD2-CG 3.45Å; D362-R365 IonicContact OD2-NE 3.33Å; D362-R365 PolarHBondContact OD2-NE 3.26Å; R365-K367 VanDerWaalsContact C-N 3.29Å; R365-K367 PolarHBondContact O-N 3.34Å; R365-E368 PolarHBondContact O-N 2.91Å; R365-D369 PolarHBondContact O-N 2.9Å; R365-Y423 PolarHBondContact O-OH 3.3Å |
| 366 | I | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.3 | -65.8 | 167 | 0 | 0 | 0 | 109.9 | L361 D362 Q364 D369 L370 L382 V384 L419 Y423 | L361-I366 HydrophobicContact CB-CD1 4.36Å; L361-I366 HydrophobicContact CD2-CD1 4.49Å; D362-I366 WeakPolarHBondContact O-CG1 3.24Å; D362-I366 PolarHBondContact O-N 2.75Å; D362-I366 VanDerWaalsContact O-N 3.12Å; Q364-I366 VanDerWaalsContact C-N 3.35Å; Q364-I366 PolarHBondContact O-N 2.88Å; I366-D369 PolarHBondContact O-N 3.11Å; I366-L370 HydrophobicContact CG2-CD1 3.88Å; I366-L370 HydrophobicContact CG2-CG 4.43Å; I366-L370 WeakPolarHBondContact O-CB 3.31Å; I366-L370 VanDerWaalsContact O-CG 3.24Å; I366-L370 WeakPolarHBondContact O-CG 3.38Å; I366-L370 PolarHBondContact O-N 2.92Å; I366-L382 HydrophobicContact CB-CD2 4.1Å; I366-L382 HydrophobicContact CG2-CD1 4.16Å; I366-L382 HydrophobicContact CG2-CD2 3.85Å; I366-V384 HydrophobicContact CD1-CG2 4.5Å; I366-L419 HydrophobicContact CG2-CD2 3.71Å; I366-Y423 HydrophobicContact CB-CE1 4.49Å; I366-Y423 HydrophobicContact CB-CE2 4.44Å; I366-Y423 HydrophobicContact CD1-CD1 4.05Å; I366-Y423 HydrophobicContact CD1-CE1 4.26Å; I366-Y423 HydrophobicContact CD1-CG 4.36Å; I366-Y423 HydrophobicContact CG1-CD1 3.57Å; I366-Y423 HydrophobicContact CG1-CD2 4.08Å; I366-Y423 HydrophobicContact CG1-CE1 3.36Å; I366-Y423 HydrophobicContact CG1-CE2 3.91Å; I366-Y423 HydrophobicContact CG1-CG 3.92Å; I366-Y423 PolarHBondContact N-OH 3.27Å |
| 367 | K | 93.7 | Very high | 90.5 | Very high | 81 Ų | 81 | 70.9 Ų | 70.9 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.7 | -172.9 | 176.1 | -178.5 | 173.1 | 0 | 112 | T363 Q364 R365 D369 L370 L371 V379 L382 | T363-K367 WeakPolarHBondContact O-CB 3.4Å; T363-K367 PolarHBondContact O-N 3.41Å; Q364-K367 WeakPolarHBondContact O-CB 3.37Å; Q364-K367 PolarHBondContact O-N 3.41Å; Q364-K367 VanDerWaalsContact O-N 3.17Å; R365-K367 VanDerWaalsContact C-N 3.29Å; R365-K367 PolarHBondContact O-N 3.34Å; K367-D369 PolarHBondContact O-N 3.45Å; K367-L370 PolarHBondContact O-N 2.93Å; K367-L371 HydrophobicContact CG-CD1 4.28Å; K367-L371 VanDerWaalsContact O-CG 3.32Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.31Å; K367-V379 HydrophobicContact CG-CB 4.04Å; K367-V379 HydrophobicContact CG-CG1 4.3Å; K367-V379 HydrophobicContact CG-CG2 4.25Å; K367-L382 HydrophobicContact CB-CD2 4.06Å |
| 368 | E | 94.8 | Very high | 90.5 | Very high | 104 Ų | 104 | 69.5 Ų | 69.5 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.1 | -73.5 | 173 | -168.9 | 0 | 0 | 112.2 | Q364 R365 L371 K372 | Q364-E368 WeakPolarHBondContact O-CG 3.43Å; Q364-E368 PolarHBondContact O-N 3.23Å; R365-E368 PolarHBondContact O-N 2.91Å; E368-L371 PolarHBondContact O-N 3.27Å; E368-K372 WeakPolarHBondContact O-CG 3.45Å; E368-K372 PolarHBondContact O-N 2.98Å |
| 369 | D | 94.1 | Very high | 90.8 | Very high | 44 Ų | 44 | 69 Ų | 69 | 24% | 0.235 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.9 | -32.8 | 179 | -71.9 | -17.7 | 0 | 0 | 0 | 112.7 | R365 I366 K367 L371 K372 L418 Y423 | R365-D369 PolarHBondContact O-N 2.9Å; I366-D369 PolarHBondContact O-N 3.11Å; K367-D369 PolarHBondContact O-N 3.45Å; D369-L371 VanDerWaalsContact C-N 3.33Å; D369-K372 PolarHBondContact O-N 3.32Å; D369-K372 IonicContact OD1-NZ 3.53Å; D369-K372 PolarHBondContact OD1-NZ 3.17Å; D369-L418 HydrophobicContact CB-CD2 3.96Å; D369-Y423 HydrophobicContact CB-CE2 4.49Å; D369-Y423 PolarHBondContact OD2-OH 3.33Å |
| 370 | L | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66 | -36.5 | 171.5 | -73.4 | 168.3 | 0 | 0 | 0 | 111.9 | I366 K367 K372 L373 V379 V396 L398 A415 L418 | I366-L370 HydrophobicContact CG2-CD1 3.88Å; I366-L370 HydrophobicContact CG2-CG 4.43Å; I366-L370 WeakPolarHBondContact O-CB 3.31Å; I366-L370 VanDerWaalsContact O-CG 3.24Å; I366-L370 WeakPolarHBondContact O-CG 3.38Å; I366-L370 PolarHBondContact O-N 2.92Å; K367-L370 PolarHBondContact O-N 2.93Å; L370-K372 VanDerWaalsContact C-N 3.26Å; L370-K372 PolarHBondContact O-N 3.17Å; L370-L373 HydrophobicContact CD2-CD1 4.12Å; L370-L373 WeakPolarHBondContact O-CB 3.07Å; L370-L373 PolarHBondContact O-N 3.37Å; L370-V379 HydrophobicContact CB-CG2 3.91Å; L370-V396 HydrophobicContact CD1-CG1 3.82Å; L370-V396 HydrophobicContact CD1-CG2 4.5Å; L370-L398 HydrophobicContact CB-CD2 4.49Å; L370-A415 HydrophobicContact CD2-CB 3.9Å; L370-L418 HydrophobicContact CD2-CD2 4.04Å; L370-L418 HydrophobicContact CG-CD2 4.33Å |
| 371 | L | 93.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70 | -20.3 | 175.6 | -73.1 | 168.3 | 0 | 0 | 0 | 113.4 | K367 E368 D369 L373 V376 V379 | K367-L371 HydrophobicContact CG-CD1 4.28Å; K367-L371 VanDerWaalsContact O-CG 3.32Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.31Å; E368-L371 PolarHBondContact O-N 3.27Å; D369-L371 VanDerWaalsContact C-N 3.33Å; L371-L373 VanDerWaalsContact C-N 3.27Å; L371-V376 HydrophobicContact CD2-CG1 4.46Å; L371-V379 HydrophobicContact CD2-CG2 3.93Å; L371-V379 HydrophobicContact CG-CG2 3.94Å |
| 372 | K | 93.8 | Very high | 91.8 | Very high | 147 Ų | 147 | 66.6 Ų | 66.6 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12 | 175.1 | -70 | 169.1 | -162.6 | 160.2 | 0 | 113 | E368 D369 L370 E374 | E368-K372 WeakPolarHBondContact O-CG 3.45Å; E368-K372 PolarHBondContact O-N 2.98Å; D369-K372 PolarHBondContact O-N 3.32Å; D369-K372 IonicContact OD1-NZ 3.53Å; D369-K372 PolarHBondContact OD1-NZ 3.17Å; L370-K372 VanDerWaalsContact C-N 3.26Å; L370-K372 PolarHBondContact O-N 3.17Å; K372-E374 PolarHBondContact O-N 3.44Å |
| 373 | L | 90.8 | Very high | 91.9 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -67.1 | 133.6 | 175.4 | -64.9 | 174.7 | 0 | 0 | 0 | 109.4 | L370 L371 V376 K414 A415 | L370-L373 HydrophobicContact CD2-CD1 4.12Å; L370-L373 WeakPolarHBondContact O-CB 3.07Å; L370-L373 PolarHBondContact O-N 3.37Å; L371-L373 VanDerWaalsContact C-N 3.27Å; L373-V376 HydrophobicContact CB-CB 4.47Å; L373-V376 HydrophobicContact CB-CG2 3.73Å; L373-V376 PolarHBondContact O-N 2.98Å; L373-K414 HydrophobicContact CD2-CB 4.11Å; L373-A415 HydrophobicContact CD1-CB 3.77Å |
| 374 | E | 87.3 | Confident | 92.1 | Very high | 138 Ų | 138 | 65.1 Ų | 65.1 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 144.1 | 171.1 | -66 | 169.3 | 166 | 0 | 0 | 109.7 | K372 V376 K414 | K372-E374 PolarHBondContact O-N 3.44Å; E374-V376 PolarHBondContact O-N 3.32Å; E374-K414 IonicContact OE2-NZ 3.93Å |
| 375 | D | 87.4 | Confident | 92.1 | Very high | 51 Ų | 51 | 62 Ų | 62 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 1.3 | 179 | -55 | -43.6 | 0 | 0 | 0 | 116.9 | L400 T401 S404 V411 | D375-L400 HydrophobicContact CB-CD2 4.39Å; D375-L400 WeakPolarHBondContact O-CA 3.36Å; D375-L400 WeakPolarHBondContact O-CD2 3.41Å; D375-T401 PolarHBondContact O-N 2.85Å; D375-T401 PolarHBondContact O-OG1 3.14Å; D375-S404 WeakPolarHBondContact OD1-CB 3.48Å; D375-S404 PolarHBondContact OD1-OG 2.98Å; D375-V411 HydrophobicContact CB-CG2 3.85Å |
| 376 | V | 89.8 | Confident | 92 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | L371 L373 E374 L398 V411 | L371-V376 HydrophobicContact CD2-CG1 4.46Å; L373-V376 HydrophobicContact CB-CB 4.47Å; L373-V376 HydrophobicContact CB-CG2 3.73Å; L373-V376 PolarHBondContact O-N 2.98Å; E374-V376 PolarHBondContact O-N 3.32Å; V376-L398 HydrophobicContact CG1-CD2 4.38Å; V376-V411 HydrophobicContact CG2-CG1 3.63Å |
| 377 | Q | 89.4 | Confident | 91.6 | Very high | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -46.5 | 177.2 | -176.5 | 179.1 | 14.7 | 0 | 0 | 111.9 | Q399 H435 | Q377-Q399 PolarHBondContact N-O 3.24Å; Q377-H435 PolarHBondContact OE1-CD2 3.49Å |
| 378 | S | 90.1 | Very high | 91.2 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 158 | 178.3 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | D380 Q399 | S378-D380 PolarHBondContact OG-OD1 3.42Å; S378-Q399 PolarHBondContact N-O 2.74Å; S378-Q399 PolarHBondContact O-N 3.4Å; S378-Q399 VanDerWaalsContact OG-CB 3.26Å; S378-Q399 WeakPolarHBondContact OG-CB 3.18Å; S378-Q399 PolarHBondContact OG-OE1 3.41Å; S378-Q399 VanDerWaalsContact OG-OE1 3.11Å |
| 379 | V | 92.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 104.3 | 168.2 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | K367 L370 L371 L382 V396 L398 | K367-V379 HydrophobicContact CG-CB 4.04Å; K367-V379 HydrophobicContact CG-CG1 4.3Å; K367-V379 HydrophobicContact CG-CG2 4.25Å; L370-V379 HydrophobicContact CB-CG2 3.91Å; L371-V379 HydrophobicContact CD2-CG2 3.93Å; L371-V379 HydrophobicContact CG-CG2 3.94Å; V379-L382 HydrophobicContact CG1-CB 4.24Å; V379-V396 HydrophobicContact CG1-CG1 4.26Å; V379-L398 HydrophobicContact CB-CD2 4.33Å; V379-L398 HydrophobicContact CG1-CD2 4.2Å; V379-L398 HydrophobicContact CG2-CD2 3.72Å |
| 380 | D | 88.8 | Confident | 89.6 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -42.7 | -173 | -69 | -8.6 | 0 | 0 | 0 | 111 | S378 H397 | S378-D380 PolarHBondContact OG-OD1 3.42Å; D380-H397 PolarHBondContact N-O 3.46Å |
| 381 | E | 91.8 | Very high | 89.2 | Confident | 90 Ų | 90 | 50.5 Ų | 50.5 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.6 | -179.2 | -168.1 | 172.1 | -171.1 | 0 | 0 | 110.7 | N383 V396 H397 | E381-N383 PolarHBondContact OE1-ND2 3.28Å; E381-V396 WeakPolarHBondContact O-CA 3.48Å; E381-H397 HydrophobicContact CB-CB 3.97Å; E381-H397 PolarHBondContact O-N 3.06Å |
| 382 | L | 93.6 | Very high | 89 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 100.8 | 174.9 | 172.8 | 61.7 | 0 | 0 | 0 | 108.2 | T363 I366 K367 V379 V384 V396 | T363-L382 WeakPolarHBondContact O-CD2 3.47Å; I366-L382 HydrophobicContact CB-CD2 4.1Å; I366-L382 HydrophobicContact CG2-CD1 4.16Å; I366-L382 HydrophobicContact CG2-CD2 3.85Å; K367-L382 HydrophobicContact CB-CD2 4.06Å; V379-L382 HydrophobicContact CG1-CB 4.24Å; L382-V384 HydrophobicContact CD1-CG2 3.72Å; L382-V384 HydrophobicContact CG-CG2 4.11Å; L382-V396 HydrophobicContact CD1-CG2 3.59Å |
| 383 | N | 94.6 | Very high | 89 | Confident | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.7 | 174.6 | -63.7 | -36.6 | 0 | 0 | 0 | 108.6 | E381 W385 A394 M395 | E381-N383 PolarHBondContact OE1-ND2 3.28Å; N383-W385 HydrophobicContact CB-CE3 4.38Å; N383-W385 HydrophobicContact CB-CZ3 4.24Å; N383-A394 CarbonylContact O-C 3.51Å; N383-A394 VanDerWaalsContact O-CA 3.26Å; N383-A394 WeakPolarHBondContact O-CA 3.42Å; N383-M395 HydrophobicContact CB-CB 4.44Å; N383-M395 PolarHBondContact N-O 2.9Å; N383-M395 PolarHBondContact O-N 3.3Å |
| 384 | V | 94.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.6 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | V357 L361 I366 L382 A394 L425 | V357-V384 WeakPolarHBondContact CG2-O 3.42Å; L361-V384 HydrophobicContact CD1-CG1 3.68Å; I366-V384 HydrophobicContact CD1-CG2 4.5Å; L382-V384 HydrophobicContact CD1-CG2 3.72Å; L382-V384 HydrophobicContact CG-CG2 4.11Å; V384-A394 HydrophobicContact CG2-CB 4.04Å; V384-L425 HydrophobicContact CG1-CD2 4.18Å |
| 385 | W | 94.2 | Very high | 89.5 | Confident | 47 Ų | 47 | 36 Ų | 36 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 153.6 | -179.2 | 66.6 | 98.2 | 0 | 0 | 0 | 111.9 | E355 N383 A393 M395 | E355-W385 HydrophobicContact CB-CB 4.03Å; E355-W385 WeakPolarHBondContact O-CB 3.42Å; N383-W385 HydrophobicContact CB-CE3 4.38Å; N383-W385 HydrophobicContact CB-CZ3 4.24Å; W385-A393 HydrophobicContact CD2-CB 4.12Å; W385-A393 HydrophobicContact CH2-CB 4.24Å; W385-A393 HydrophobicContact CZ2-CB 3.59Å; W385-A393 PolarHBondContact N-O 2.94Å; W385-A393 PolarHBondContact O-N 2.72Å; W385-M395 HydrophobicContact CH2-CB 4.1Å; W385-M395 HydrophobicContact CZ3-CB 3.86Å |
| 386 | A | 90 | Very high | 89.9 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I352 G356 P358 | I352-A386 HydrophobicContact CG1-CB 4Å; I352-A386 HydrophobicContact CG2-CB 4.28Å; G356-A386 PolarHBondContact O-N 2.91Å; P358-A386 HydrophobicContact CB-CB 4.34Å |
| 387 | L | 85.8 | Confident | 90.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -93.3 | -38.8 | 170.8 | -141.5 | 80.6 | 0 | 0 | 0 | 111 | F185 H188 R189 K391 | F185-L387 HydrophobicContact CB-CD2 4.13Å; F185-L387 HydrophobicContact CD1-CD2 4.49Å; H188-L387 HydrophobicContact CB-CD2 4.25Å; R189-L387 HydrophobicContact CG-CG 4.4Å; L387-K391 WeakPolarHBondContact CA-O 2.94Å; L387-K391 HydrophobicContact CB-CB 4.23Å; L387-K391 WeakPolarHBondContact CB-O 3.09Å; L387-K391 PolarHBondContact N-O 3.36Å |
| 388 | T | 84.1 | Confident | 90.3 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -143.9 | -177.1 | 166.7 | 65.7 | 0 | 0 | 0 | 0 | 108.1 | H188 V192 D390 K391 | H188-T388 HydrophobicContact CB-CG2 3.81Å; H188-T388 WeakPolarHBondContact O-CG2 3.28Å; V192-T388 HydrophobicContact CG2-CG2 4.46Å; T388-D390 PolarHBondContact O-N 2.92Å; T388-K391 PolarHBondContact N-O 3.37Å; T388-K391 VanDerWaalsContact N-O 3.14Å; T388-K391 PolarHBondContact O-N 3.13Å; T388-K391 WeakPolarHBondContact OG1-CB 3.39Å; T388-K391 PolarHBondContact OG1-N 3.28Å |
| 389 | A | 77.2 | Confident | 90.4 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 22% | 0.223 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -60.3 | -30.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L291 | L291-A389 HydrophobicContact CB-CB 3.79Å; L291-A389 HydrophobicContact CD1-CB 4.36Å; L291-A389 HydrophobicContact CG-CB 4.49Å |
| 390 | D | 78.1 | Confident | 90.3 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -108.6 | -8.1 | -176.2 | -60.8 | -33.2 | 0 | 0 | 0 | 113.3 | T288 T388 | T288-D390 VanDerWaalsContact O-OD1 3.06Å; T288-D390 PolarHBondContact OG1-OD1 2.96Å; T388-D390 PolarHBondContact O-N 2.92Å |
| 391 | K | 85.3 | Confident | 90.1 | Very high | 41 Ų | 41 | 28 Ų | 28 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | trans | -116.6 | 115.9 | -179.2 | -66.4 | -178.2 | 177 | 174.6 | 0 | 110.7 | E114 H188 L387 T388 T426 | E114-K391 IonicContact OE1-NZ 3.83Å; H188-K391 PolarHBondContact CE1-NZ 3.48Å; H188-K391 PolarHBondContact ND1-NZ 3.02Å; H188-K391 PolarHBondContact NE2-NZ 3.05Å; L387-K391 WeakPolarHBondContact CA-O 2.94Å; L387-K391 HydrophobicContact CB-CB 4.23Å; L387-K391 WeakPolarHBondContact CB-O 3.09Å; L387-K391 PolarHBondContact N-O 3.36Å; T388-K391 PolarHBondContact N-O 3.37Å; T388-K391 VanDerWaalsContact N-O 3.14Å; T388-K391 PolarHBondContact O-N 3.13Å; T388-K391 WeakPolarHBondContact OG1-CB 3.39Å; T388-K391 PolarHBondContact OG1-N 3.28Å; K391-T426 WeakPolarHBondContact CA-OG1 3.22Å; K391-T426 HydrophobicContact CG-CG2 4.43Å | ||
| 392 | T | 91.2 | Very high | 89.5 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 147.1 | -178.7 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | P358 L361 L425 T426 R427 | P358-T392 HydrophobicContact CG-CG2 3.85Å; L361-T392 HydrophobicContact CD1-CG2 4.48Å; T392-L425 WeakPolarHBondContact OG1-CA 3.49Å; T392-L425 WeakPolarHBondContact OG1-CD2 3.31Å; T392-T426 PolarHBondContact N-OG1 2.85Å; T392-T426 WeakPolarHBondContact O-CB 3.38Å; T392-T426 PolarHBondContact O-N 3.19Å; T392-R427 PolarHBondContact O-N 3.06Å |
| 393 | A | 92.5 | Very high | 88.5 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W385 R427 | W385-A393 HydrophobicContact CD2-CB 4.12Å; W385-A393 HydrophobicContact CH2-CB 4.24Å; W385-A393 HydrophobicContact CZ2-CB 3.59Å; W385-A393 PolarHBondContact N-O 2.94Å; W385-A393 PolarHBondContact O-N 2.72Å; A393-R427 VanDerWaalsContact CA-O 3.26Å; A393-R427 WeakPolarHBondContact CA-O 3.39Å |
| 394 | A | 95 | Very high | 87.3 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N383 V384 L425 R427 C428 T429 | N383-A394 CarbonylContact O-C 3.51Å; N383-A394 VanDerWaalsContact O-CA 3.26Å; N383-A394 WeakPolarHBondContact O-CA 3.42Å; V384-A394 HydrophobicContact CG2-CB 4.04Å; A394-L425 HydrophobicContact CB-CD1 3.59Å; A394-L425 HydrophobicContact CB-CD2 4.45Å; A394-R427 PolarHBondContact N-O 3.41Å; A394-R427 VanDerWaalsContact N-O 3.07Å; A394-C428 HydrophobicContact CB-CB 4.32Å; A394-C428 CarbonylContact O-C 3.56Å; A394-C428 VanDerWaalsContact O-CA 3.24Å; A394-C428 WeakPolarHBondContact O-CA 3.42Å; A394-T429 PolarHBondContact O-N 3.5Å |
| 395 | M | 95.2 | Very high | 86.1 | Confident | 71 Ų | 71 | 30.1 Ų | 30.1 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.6 | 167.9 | -179.2 | 170.3 | 177.4 | 0 | 0 | 108 | N383 W385 T429 | N383-M395 HydrophobicContact CB-CB 4.44Å; N383-M395 PolarHBondContact N-O 2.9Å; N383-M395 PolarHBondContact O-N 3.3Å; W385-M395 HydrophobicContact CH2-CB 4.1Å; W385-M395 HydrophobicContact CZ3-CB 3.86Å; M395-T429 WeakPolarHBondContact CA-O 3.41Å |
| 396 | V | 95.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 133.2 | -175.8 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | L370 V379 E381 L382 L398 L419 T429 V430 Q431 | L370-V396 HydrophobicContact CD1-CG1 3.82Å; L370-V396 HydrophobicContact CD1-CG2 4.5Å; V379-V396 HydrophobicContact CG1-CG1 4.26Å; E381-V396 WeakPolarHBondContact O-CA 3.48Å; L382-V396 HydrophobicContact CD1-CG2 3.59Å; V396-L398 HydrophobicContact CG1-CD2 3.57Å; V396-L398 HydrophobicContact CG1-CG 3.89Å; V396-L419 HydrophobicContact CG2-CD1 3.7Å; V396-T429 PolarHBondContact N-O 3.34Å; V396-V430 WeakPolarHBondContact O-CA 3.37Å; V396-Q431 PolarHBondContact O-N 3.02Å |
| 397 | H | 94.5 | Very high | 84.9 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 115.9 | 169.8 | -168.2 | -171.9 | 0 | 0 | 0 | 109.8 | D380 E381 Q431 Q433 | D380-H397 PolarHBondContact N-O 3.46Å; E381-H397 HydrophobicContact CB-CB 3.97Å; E381-H397 PolarHBondContact O-N 3.06Å; H397-Q431 WeakPolarHBondContact CA-O 3.31Å; H397-Q433 PolarHBondContact CE1-OE1 3.01Å; H397-Q433 VanDerWaalsContact CE1-OE1 3.27Å; H397-Q433 WeakPolarHBondContact NE2-CB 3.32Å; H397-Q433 PolarHBondContact NE2-OE1 3.48Å |
| 398 | L | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.5 | -179 | -58.9 | -179.7 | 0 | 0 | 0 | 110.7 | L370 V376 V379 V396 V411 A415 V430 Q431 V432 Q433 | L370-L398 HydrophobicContact CB-CD2 4.49Å; V376-L398 HydrophobicContact CG1-CD2 4.38Å; V379-L398 HydrophobicContact CB-CD2 4.33Å; V379-L398 HydrophobicContact CG1-CD2 4.2Å; V379-L398 HydrophobicContact CG2-CD2 3.72Å; V396-L398 HydrophobicContact CG1-CD2 3.57Å; V396-L398 HydrophobicContact CG1-CG 3.89Å; L398-V411 HydrophobicContact CD1-CG1 4.5Å; L398-A415 HydrophobicContact CD1-CB 3.78Å; L398-V430 HydrophobicContact CD1-CG1 3.65Å; L398-V430 HydrophobicContact CG-CG1 4.12Å; L398-Q431 PolarHBondContact N-O 3.11Å; L398-V432 WeakPolarHBondContact O-CA 3.49Å; L398-Q433 PolarHBondContact O-N 3.13Å |
| 399 | Q | 91.1 | Very high | 85.2 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.1 | 170.2 | -168.1 | 165.8 | 58.4 | 0 | 0 | 110.1 | Q377 S378 Q433 H435 | Q377-Q399 PolarHBondContact N-O 3.24Å; S378-Q399 PolarHBondContact N-O 2.74Å; S378-Q399 PolarHBondContact O-N 3.4Å; S378-Q399 VanDerWaalsContact OG-CB 3.26Å; S378-Q399 WeakPolarHBondContact OG-CB 3.18Å; S378-Q399 PolarHBondContact OG-OE1 3.41Å; S378-Q399 VanDerWaalsContact OG-OE1 3.11Å; Q399-Q433 WeakPolarHBondContact CA-O 3.41Å; Q399-H435 HydrophobicContact CG-CB 3.98Å; Q399-H435 PolarHBondContact NE2-CD2 2.95Å |
| 400 | L | 90.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 149.2 | 177.3 | -66.6 | 166.5 | 0 | 0 | 0 | 112 | D375 W408 V411 V432 Q433 H435 | D375-L400 HydrophobicContact CB-CD2 4.39Å; D375-L400 WeakPolarHBondContact O-CA 3.36Å; D375-L400 WeakPolarHBondContact O-CD2 3.41Å; L400-W408 HydrophobicContact CD1-CB 3.5Å; L400-V411 HydrophobicContact CD2-CB 3.92Å; L400-V411 HydrophobicContact CD2-CG1 3.8Å; L400-V411 HydrophobicContact CD2-CG2 3.77Å; L400-V432 HydrophobicContact CD1-CG1 3.26Å; L400-V432 HydrophobicContact CD2-CG1 3.88Å; L400-V432 HydrophobicContact CG-CG1 3.35Å; L400-Q433 PolarHBondContact N-O 2.98Å; L400-H435 WeakPolarHBondContact O-CB 3.32Å; L400-H435 PolarHBondContact O-N 2.98Å |
| 401 | T | 85.9 | Confident | 86.5 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 140.3 | 167.6 | -48.6 | 0 | 0 | 0 | 0 | 110.7 | D375 S403 S404 | D375-T401 PolarHBondContact O-N 2.85Å; D375-T401 PolarHBondContact O-OG1 3.14Å; T401-S403 PolarHBondContact O-N 3.49Å; T401-S403 VanDerWaalsContact O-N 3.08Å; T401-S404 PolarHBondContact O-N 3.34Å |
| 402 | P | 77.9 | Confident | 86.9 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -56 | -29.4 | -177.3 | -26.1 | 32.7 | 0 | 0 | 0 | 114.9 | S404 H435 | P402-S404 VanDerWaalsContact C-N 3.27Å; P402-S404 PolarHBondContact O-N 3.39Å; P402-H435 HydrophobicContact CG-CB 4.35Å |
| 403 | S | 72.4 | Confident | 86.9 | Confident | 116 Ų | 116 | 53.4 Ų | 53.4 | 81% | 0.811 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -75.1 | -12.6 | -179.5 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | T401 | T401-S403 PolarHBondContact O-N 3.49Å; T401-S403 VanDerWaalsContact O-N 3.08Å |
| 404 | S | 70.3 | Confident | 86.9 | Confident | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -116 | 21.3 | -166.8 | -45.9 | 0 | 0 | 0 | 0 | 112.7 | D375 T401 P402 N406 N407 | D375-S404 WeakPolarHBondContact OD1-CB 3.48Å; D375-S404 PolarHBondContact OD1-OG 2.98Å; T401-S404 PolarHBondContact O-N 3.34Å; P402-S404 VanDerWaalsContact C-N 3.27Å; P402-S404 PolarHBondContact O-N 3.39Å; S404-N406 PolarHBondContact O-N 3.04Å; S404-N406 VanDerWaalsContact O-N 3.08Å; S404-N407 PolarHBondContact O-N 2.93Å |
| 405 | A | 68.1 | Low | 86.9 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | T434 | A405-T434 HydrophobicContact CB-CG2 3.61Š|
| 406 | N | 75.4 | Confident | 86.8 | Confident | 152 Ų | 152 | 61 Ų | 61 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -14.5 | -179.5 | -69.8 | -6.5 | 0 | 0 | 0 | 113.9 | S404 | S404-N406 PolarHBondContact O-N 3.04Å; S404-N406 VanDerWaalsContact O-N 3.08Å |
| 407 | N | 83.6 | Confident | 86.7 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | trans | -105.7 | 19.6 | -175.1 | -62.9 | -8 | 0 | 0 | 0 | 112.8 | S404 E409 D410 V411 | S404-N407 PolarHBondContact O-N 2.93Å; N407-E409 VanDerWaalsContact C-N 3.25Å; N407-E409 PolarHBondContact O-N 3.38Å; N407-D410 PolarHBondContact O-N 3.34Å; N407-V411 PolarHBondContact O-N 2.93Å | ||
| 408 | W | 86.8 | Confident | 86.6 | Confident | 110 Ų | 110 | 66.3 Ų | 66.3 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -31.7 | -175.3 | 67.3 | -88.7 | 0 | 0 | 0 | 113 | L400 V411 Q412 V432 | L400-W408 HydrophobicContact CD1-CB 3.5Å; W408-V411 PolarHBondContact O-N 2.89Å; W408-Q412 VanDerWaalsContact O-CB 3.29Å; W408-Q412 WeakPolarHBondContact O-CB 3.35Å; W408-Q412 PolarHBondContact O-N 2.96Å; W408-V432 HydrophobicContact CB-CG1 4.21Å |
| 409 | E | 90.4 | Very high | 86.6 | Confident | 124 Ų | 124 | 66.3 Ų | 66.3 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 177 | -65.4 | -174.5 | 177.2 | 0 | 0 | 111.4 | N407 Q412 A413 | N407-E409 VanDerWaalsContact C-N 3.25Å; N407-E409 PolarHBondContact O-N 3.38Å; E409-Q412 PolarHBondContact O-N 3.5Å; E409-A413 VanDerWaalsContact O-CB 3.31Å; E409-A413 WeakPolarHBondContact O-CB 3.35Å; E409-A413 PolarHBondContact O-N 3.33Å |
| 410 | D | 90.3 | Very high | 86.6 | Confident | 98 Ų | 98 | 66.6 Ų | 66.6 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 178.5 | -72.8 | -23.5 | 0 | 0 | 0 | 111.3 | N407 A413 K414 | N407-D410 PolarHBondContact O-N 3.34Å; D410-A413 PolarHBondContact O-N 2.95Å; D410-K414 WeakPolarHBondContact O-CB 3.33Å; D410-K414 VanDerWaalsContact O-CG 3.26Å; D410-K414 WeakPolarHBondContact O-CG 3.42Å; D410-K414 PolarHBondContact O-N 3.41Å |
| 411 | V | 91.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | D375 V376 L398 L400 N407 W408 A413 K414 A415 | D375-V411 HydrophobicContact CB-CG2 3.85Å; V376-V411 HydrophobicContact CG2-CG1 3.63Å; L398-V411 HydrophobicContact CD1-CG1 4.5Å; L400-V411 HydrophobicContact CD2-CB 3.92Å; L400-V411 HydrophobicContact CD2-CG1 3.8Å; L400-V411 HydrophobicContact CD2-CG2 3.77Å; N407-V411 PolarHBondContact O-N 2.93Å; W408-V411 PolarHBondContact O-N 2.89Å; V411-A413 PolarHBondContact O-N 2.83Å; V411-K414 PolarHBondContact O-N 3.43Å; V411-A415 VanDerWaalsContact O-CB 3.29Å; V411-A415 WeakPolarHBondContact O-CB 3.21Å; V411-A415 PolarHBondContact O-N 3.17Å |
| 412 | Q | 93.4 | Very high | 86.6 | Confident | 66 Ų | 66 | 74 Ų | 74 | 31% | 0.308 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.9 | -165.6 | -173.8 | 15.2 | 0 | 0 | 111.5 | W408 E409 R416 V430 V432 | W408-Q412 VanDerWaalsContact O-CB 3.29Å; W408-Q412 WeakPolarHBondContact O-CB 3.35Å; W408-Q412 PolarHBondContact O-N 2.96Å; E409-Q412 PolarHBondContact O-N 3.5Å; Q412-R416 WeakPolarHBondContact O-CB 3.44Å; Q412-R416 PolarHBondContact O-N 3.42Å; Q412-V430 HydrophobicContact CG-CB 3.96Å; Q412-V430 HydrophobicContact CG-CG1 4.09Å; Q412-V430 PolarHBondContact NE2-O 2.95Å; Q412-V432 HydrophobicContact CB-CG2 3.91Å; Q412-V432 HydrophobicContact CG-CG2 4.03Å |
| 413 | A | 92.1 | Very high | 87.1 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | E409 D410 V411 R416 H417 | E409-A413 VanDerWaalsContact O-CB 3.31Å; E409-A413 WeakPolarHBondContact O-CB 3.35Å; E409-A413 PolarHBondContact O-N 3.33Å; D410-A413 PolarHBondContact O-N 2.95Å; V411-A413 PolarHBondContact O-N 2.83Å; A413-R416 PolarHBondContact O-N 2.97Å; A413-H417 VanDerWaalsContact O-CB 3.3Å; A413-H417 WeakPolarHBondContact O-CB 3.28Å; A413-H417 PolarHBondContact O-N 3.42Å |
| 414 | K | 92.9 | Very high | 87.7 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 41% | 0.409 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 175.5 | -73.8 | 174.2 | -177.3 | 177.7 | 0 | 111.6 | L373 E374 D410 V411 H417 L418 | L373-K414 HydrophobicContact CD2-CB 4.11Å; E374-K414 IonicContact OE2-NZ 3.93Å; D410-K414 WeakPolarHBondContact O-CB 3.33Å; D410-K414 VanDerWaalsContact O-CG 3.26Å; D410-K414 WeakPolarHBondContact O-CG 3.42Å; D410-K414 PolarHBondContact O-N 3.41Å; V411-K414 PolarHBondContact O-N 3.43Å; K414-H417 PolarHBondContact O-N 3.43Å; K414-L418 WeakPolarHBondContact O-CB 3.41Å; K414-L418 PolarHBondContact O-N 2.82Å |
| 415 | A | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L370 L373 L398 V411 H417 L418 L419 V430 | L370-A415 HydrophobicContact CD2-CB 3.9Å; L373-A415 HydrophobicContact CD1-CB 3.77Å; L398-A415 HydrophobicContact CD1-CB 3.78Å; V411-A415 VanDerWaalsContact O-CB 3.29Å; V411-A415 WeakPolarHBondContact O-CB 3.21Å; V411-A415 PolarHBondContact O-N 3.17Å; A415-H417 PolarHBondContact O-N 2.93Å; A415-L418 PolarHBondContact O-N 3.44Å; A415-L419 WeakPolarHBondContact O-CB 3.48Å; A415-L419 VanDerWaalsContact O-CG 3.26Å; A415-L419 WeakPolarHBondContact O-CG 3.38Å; A415-L419 PolarHBondContact O-N 3.48Å; A415-V430 HydrophobicContact CB-CG1 4.15Å; A415-V430 HydrophobicContact CB-CG2 4.37Å |
| 416 | R | 94.3 | Very high | 89.6 | Confident | 145 Ų | 145 | 69.4 Ų | 69.4 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.2 | 173.7 | 167.5 | 173.2 | 156.9 | -2.3 | 111.7 | Q412 A413 L419 L420 V430 | Q412-R416 WeakPolarHBondContact O-CB 3.44Å; Q412-R416 PolarHBondContact O-N 3.42Å; A413-R416 PolarHBondContact O-N 2.97Å; R416-L419 PolarHBondContact O-N 3.4Å; R416-L420 HydrophobicContact CG-CD1 3.62Å; R416-L420 HydrophobicContact CG-CG 4.23Å; R416-L420 WeakPolarHBondContact O-CB 3.36Å; R416-L420 VanDerWaalsContact O-CG 3.29Å; R416-L420 WeakPolarHBondContact O-CG 3.34Å; R416-L420 PolarHBondContact O-N 3.47Å; R416-V430 HydrophobicContact CB-CG2 4.5Å |
| 417 | H | 92.9 | Very high | 90.2 | Very high | 113 Ų | 113 | 67.9 Ų | 67.9 | 52% | 0.523 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.9 | -177.1 | -83.2 | 0 | 0 | 0 | 111.4 | A413 K414 A415 L419 L420 H421 | A413-H417 VanDerWaalsContact O-CB 3.3Å; A413-H417 WeakPolarHBondContact O-CB 3.28Å; A413-H417 PolarHBondContact O-N 3.42Å; K414-H417 PolarHBondContact O-N 3.43Å; A415-H417 PolarHBondContact O-N 2.93Å; H417-L419 PolarHBondContact O-N 3.23Å; H417-L420 PolarHBondContact O-N 3.03Å; H417-H421 AromaticContact CD2-CD2 3.3Å; H417-H421 PolarHBondContact CD2-CD2 3.46Å; H417-H421 AromaticContact CD2-NE2 3.82Å; H417-H421 AromaticContact CE1-CD2 3.98Å; H417-H421 AromaticContact CG-CD2 3.76Å; H417-H421 AromaticContact NE2-CD2 3.46Å; H417-H421 PolarHBondContact NE2-CD2 3.39Å; H417-H421 AromaticContact NE2-CG 3.92Å; H417-H421 WeakPolarHBondContact O-CB 3.4Å; H417-H421 PolarHBondContact O-CD2 2.75Å; H417-H421 PolarHBondContact O-N 3.07Å |
| 418 | L | 92.8 | Very high | 90.7 | Very high | 28 Ų | 28 | 65 Ų | 65 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -57.4 | -48.9 | 174.9 | -179.2 | 73.4 | 0 | 0 | 0 | 111.6 | D369 L370 K414 A415 T422 Y423 | D369-L418 HydrophobicContact CB-CD2 3.96Å; L370-L418 HydrophobicContact CD2-CD2 4.04Å; L370-L418 HydrophobicContact CG-CD2 4.33Å; K414-L418 WeakPolarHBondContact O-CB 3.41Å; K414-L418 PolarHBondContact O-N 2.82Å; A415-L418 PolarHBondContact O-N 3.44Å; L418-T422 HydrophobicContact CD1-CG2 4.32Å; L418-T422 WeakPolarHBondContact O-CA 3.45Å; L418-T422 WeakPolarHBondContact O-CB 3.46Å; L418-T422 PolarHBondContact O-N 2.98Å; L418-T422 PolarHBondContact O-OG1 3.43Å; L418-Y423 HydrophobicContact CD1-CE2 4.43Å; L418-Y423 HydrophobicContact CG-CD2 4.35Å; L418-Y423 HydrophobicContact CG-CE2 4.22Å; L418-Y423 PolarHBondContact O-N 3.01Å |
| 419 | L | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -65.1 | -43.3 | -178.1 | -72.4 | 173.1 | 0 | 0 | 0 | 112.6 | I366 V396 A415 R416 H417 G424 L425 C428 V430 | I366-L419 HydrophobicContact CG2-CD2 3.71Å; V396-L419 HydrophobicContact CG2-CD1 3.7Å; A415-L419 WeakPolarHBondContact O-CB 3.48Å; A415-L419 VanDerWaalsContact O-CG 3.26Å; A415-L419 WeakPolarHBondContact O-CG 3.38Å; A415-L419 PolarHBondContact O-N 3.48Å; R416-L419 PolarHBondContact O-N 3.4Å; H417-L419 PolarHBondContact O-N 3.23Å; L419-G424 PolarHBondContact O-N 3.21Å; L419-L425 HydrophobicContact CB-CD1 3.7Å; L419-L425 HydrophobicContact CD2-CD1 3.63Å; L419-L425 HydrophobicContact CG-CD1 4.17Å; L419-L425 VanDerWaalsContact O-CB 3.31Å; L419-L425 WeakPolarHBondContact O-CB 3.32Å; L419-L425 WeakPolarHBondContact O-CG 3.28Å; L419-L425 PolarHBondContact O-N 2.99Å; L419-L425 VanDerWaalsContact O-N 3.1Å; L419-C428 HydrophobicContact CB-CB 4.32Å; L419-C428 HydrophobicContact CD1-CB 4.07Å; L419-V430 HydrophobicContact CD1-CG2 3.93Å |
| 420 | L | 90.6 | Very high | 91.3 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -77.7 | -44.1 | -177.8 | -64.4 | 176.2 | 0 | 0 | 0 | 112.7 | R416 H417 G424 L425 | R416-L420 HydrophobicContact CG-CD1 3.62Å; R416-L420 HydrophobicContact CG-CG 4.23Å; R416-L420 WeakPolarHBondContact O-CB 3.36Å; R416-L420 VanDerWaalsContact O-CG 3.29Å; R416-L420 WeakPolarHBondContact O-CG 3.34Å; R416-L420 PolarHBondContact O-N 3.47Å; H417-L420 PolarHBondContact O-N 3.03Å; L420-G424 VanDerWaalsContact O-CA 3.28Å; L420-G424 WeakPolarHBondContact O-CA 3.31Å; L420-G424 PolarHBondContact O-N 3.26Å; L420-L425 HydrophobicContact CD2-CB 4.46Å; L420-L425 WeakPolarHBondContact CD2-O 3.29Å |
| 421 | H | 88.2 | Confident | 91.5 | Very high | 121 Ų | 121 | 58.5 Ų | 58.5 | 56% | 0.56 | 30% | 0.301 | S | S | * | . | I | π-helix | trans | -93.2 | -37.7 | -171.7 | -67.8 | -78.4 | 0 | 0 | 0 | 113.9 | H417 | H417-H421 AromaticContact CD2-CD2 3.3Å; H417-H421 PolarHBondContact CD2-CD2 3.46Å; H417-H421 AromaticContact CD2-NE2 3.82Å; H417-H421 AromaticContact CE1-CD2 3.98Å; H417-H421 AromaticContact CG-CD2 3.76Å; H417-H421 AromaticContact NE2-CD2 3.46Å; H417-H421 PolarHBondContact NE2-CD2 3.39Å; H417-H421 AromaticContact NE2-CG 3.92Å; H417-H421 WeakPolarHBondContact O-CB 3.4Å; H417-H421 PolarHBondContact O-CD2 2.75Å; H417-H421 PolarHBondContact O-N 3.07Å |
| 422 | T | 88.6 | Confident | 91.5 | Very high | 84 Ų | 84 | 60 Ų | 60 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | I | π-helix | trans | -84.8 | -45.4 | -178.5 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | L418 | L418-T422 HydrophobicContact CD1-CG2 4.32Å; L418-T422 WeakPolarHBondContact O-CA 3.45Å; L418-T422 WeakPolarHBondContact O-CB 3.46Å; L418-T422 PolarHBondContact O-N 2.98Å; L418-T422 PolarHBondContact O-OG1 3.43Å |
| 423 | Y | 87.9 | Confident | 91.3 | Very high | 29 Ų | 29 | 60.8 Ų | 60.8 | 11% | 0.114 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -94.1 | -6.4 | -178.2 | -71.1 | -76.4 | 0 | 0 | 0 | 113.8 | L361 R365 I366 D369 L418 L425 | L361-Y423 HydrophobicContact CD2-CD1 4.17Å; R365-Y423 PolarHBondContact O-OH 3.3Å; I366-Y423 HydrophobicContact CB-CE1 4.49Å; I366-Y423 HydrophobicContact CB-CE2 4.44Å; I366-Y423 HydrophobicContact CD1-CD1 4.05Å; I366-Y423 HydrophobicContact CD1-CE1 4.26Å; I366-Y423 HydrophobicContact CD1-CG 4.36Å; I366-Y423 HydrophobicContact CG1-CD1 3.57Å; I366-Y423 HydrophobicContact CG1-CD2 4.08Å; I366-Y423 HydrophobicContact CG1-CE1 3.36Å; I366-Y423 HydrophobicContact CG1-CE2 3.91Å; I366-Y423 HydrophobicContact CG1-CG 3.92Å; I366-Y423 PolarHBondContact N-OH 3.27Å; D369-Y423 HydrophobicContact CB-CE2 4.49Å; D369-Y423 PolarHBondContact OD2-OH 3.33Å; L418-Y423 HydrophobicContact CD1-CE2 4.43Å; L418-Y423 HydrophobicContact CG-CD2 4.35Å; L418-Y423 HydrophobicContact CG-CE2 4.22Å; L418-Y423 PolarHBondContact O-N 3.01Å; Y423-L425 VanDerWaalsContact C-N 3.29Å; Y423-L425 PolarHBondContact O-N 2.9Å |
| 424 | G | 85.8 | Confident | 90.8 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | trans | 69.7 | 22.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L419 L420 | L419-G424 PolarHBondContact O-N 3.21Å; L420-G424 VanDerWaalsContact O-CA 3.28Å; L420-G424 WeakPolarHBondContact O-CA 3.31Å; L420-G424 PolarHBondContact O-N 3.26Å | ||
| 425 | L | 89.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | trans | -64.9 | 139.6 | 178.7 | -65.4 | 168.3 | 0 | 0 | 0 | 110.4 | L361 V384 T392 A394 L419 L420 Y423 | L361-L425 HydrophobicContact CD1-CD2 3.74Å; V384-L425 HydrophobicContact CG1-CD2 4.18Å; T392-L425 WeakPolarHBondContact OG1-CA 3.49Å; T392-L425 WeakPolarHBondContact OG1-CD2 3.31Å; A394-L425 HydrophobicContact CB-CD1 3.59Å; A394-L425 HydrophobicContact CB-CD2 4.45Å; L419-L425 HydrophobicContact CB-CD1 3.7Å; L419-L425 HydrophobicContact CD2-CD1 3.63Å; L419-L425 HydrophobicContact CG-CD1 4.17Å; L419-L425 VanDerWaalsContact O-CB 3.31Å; L419-L425 WeakPolarHBondContact O-CB 3.32Å; L419-L425 WeakPolarHBondContact O-CG 3.28Å; L419-L425 PolarHBondContact O-N 2.99Å; L419-L425 VanDerWaalsContact O-N 3.1Å; L420-L425 HydrophobicContact CD2-CB 4.46Å; L420-L425 WeakPolarHBondContact CD2-O 3.29Å; Y423-L425 VanDerWaalsContact C-N 3.29Å; Y423-L425 PolarHBondContact O-N 2.9Å | ||
| 426 | T | 87.9 | Confident | 87.8 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -78.1 | -37.1 | 179.5 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | K391 T392 | K391-T426 WeakPolarHBondContact CA-OG1 3.22Å; K391-T426 HydrophobicContact CG-CG2 4.43Å; T392-T426 PolarHBondContact N-OG1 2.85Å; T392-T426 WeakPolarHBondContact O-CB 3.38Å; T392-T426 PolarHBondContact O-N 3.19Å |
| 427 | R | 89.4 | Confident | 85.7 | Confident | 120 Ų | 120 | 70.3 Ų | 70.3 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.5 | 177.9 | -69 | -174.9 | 175.5 | 147.3 | -0.3 | 109.5 | T392 A393 A394 | T392-R427 PolarHBondContact O-N 3.06Å; A393-R427 VanDerWaalsContact CA-O 3.26Å; A393-R427 WeakPolarHBondContact CA-O 3.39Å; A394-R427 PolarHBondContact N-O 3.41Å; A394-R427 VanDerWaalsContact N-O 3.07Å |
| 428 | C | 93.9 | Very high | 83.5 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 11% | 0.108 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144.7 | 170.4 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | A394 L419 | A394-C428 HydrophobicContact CB-CB 4.32Å; A394-C428 CarbonylContact O-C 3.56Å; A394-C428 VanDerWaalsContact O-CA 3.24Å; A394-C428 WeakPolarHBondContact O-CA 3.42Å; L419-C428 HydrophobicContact CB-CB 4.32Å; L419-C428 HydrophobicContact CD1-CB 4.07Å |
| 429 | T | 94.7 | Very high | 81.3 | Confident | 93 Ų | 93 | 80 Ų | 80 | 57% | 0.571 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.2 | 168 | -57.5 | 0 | 0 | 0 | 0 | 107.5 | A394 M395 V396 | A394-T429 PolarHBondContact O-N 3.5Å; M395-T429 WeakPolarHBondContact CA-O 3.41Å; V396-T429 PolarHBondContact N-O 3.34Å |
| 430 | V | 95 | Very high | 79.2 | Confident | 7 Ų | 7 | 86.1 Ų | 86.1 | 4% | 0.042 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110 | 176 | -177.1 | 0 | 0 | 0 | 0 | 107 | V396 L398 Q412 A415 R416 L419 V432 | V396-V430 WeakPolarHBondContact O-CA 3.37Å; L398-V430 HydrophobicContact CD1-CG1 3.65Å; L398-V430 HydrophobicContact CG-CG1 4.12Å; Q412-V430 HydrophobicContact CG-CB 3.96Å; Q412-V430 HydrophobicContact CG-CG1 4.09Å; Q412-V430 PolarHBondContact NE2-O 2.95Å; A415-V430 HydrophobicContact CB-CG1 4.15Å; A415-V430 HydrophobicContact CB-CG2 4.37Å; R416-V430 HydrophobicContact CB-CG2 4.5Å; L419-V430 HydrophobicContact CD1-CG2 3.93Å; V430-V432 HydrophobicContact CG1-CG2 3.97Å |
| 431 | Q | 94.1 | Very high | 77.1 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.6 | 169.7 | -179.5 | 172.8 | -20.1 | 0 | 0 | 108.2 | V396 H397 L398 | V396-Q431 PolarHBondContact O-N 3.02Å; H397-Q431 WeakPolarHBondContact CA-O 3.31Å; L398-Q431 PolarHBondContact N-O 3.11Å |
| 432 | V | 91.5 | Very high | 75.2 | Confident | 33 Ų | 33 | 93.7 Ų | 93.7 | 20% | 0.2 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.7 | -178.6 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | L398 L400 W408 Q412 V430 | L398-V432 WeakPolarHBondContact O-CA 3.49Å; L400-V432 HydrophobicContact CD1-CG1 3.26Å; L400-V432 HydrophobicContact CD2-CG1 3.88Å; L400-V432 HydrophobicContact CG-CG1 3.35Å; W408-V432 HydrophobicContact CB-CG1 4.21Å; Q412-V432 HydrophobicContact CB-CG2 3.91Å; Q412-V432 HydrophobicContact CG-CG2 4.03Å; V430-V432 HydrophobicContact CG1-CG2 3.97Å |
| 433 | Q | 88.2 | Confident | 73.5 | Confident | 82 Ų | 82 | 92.5 Ų | 92.5 | 38% | 0.383 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.4 | 178.3 | -176.7 | 170 | -3.2 | 0 | 0 | 109.6 | H397 L398 Q399 L400 | H397-Q433 PolarHBondContact CE1-OE1 3.01Å; H397-Q433 VanDerWaalsContact CE1-OE1 3.27Å; H397-Q433 WeakPolarHBondContact NE2-CB 3.32Å; H397-Q433 PolarHBondContact NE2-OE1 3.48Å; L398-Q433 PolarHBondContact O-N 3.13Å; Q399-Q433 WeakPolarHBondContact CA-O 3.41Å; L400-Q433 PolarHBondContact N-O 2.98Å |
| 434 | T | 81.9 | Confident | 72 | Confident | 60 Ų | 60 | 95.4 Ų | 95.4 | 37% | 0.368 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.3 | 168.5 | -25.9 | 0 | 0 | 0 | 0 | 108.5 | A405 R436 | A405-T434 HydrophobicContact CB-CG2 3.61Å; T434-R436 VanDerWaalsContact C-N 3.32Å; T434-R436 PolarHBondContact O-N 2.68Å |
| 435 | H | 67.8 | Low | 70.6 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | trans | -54.5 | 95.6 | 176 | 179 | -76.1 | 0 | 0 | 0 | 110.5 | Q377 Q399 L400 P402 Q437 | Q377-H435 PolarHBondContact OE1-CD2 3.49Å; Q399-H435 HydrophobicContact CG-CB 3.98Å; Q399-H435 PolarHBondContact NE2-CD2 2.95Å; L400-H435 WeakPolarHBondContact O-CB 3.32Å; L400-H435 PolarHBondContact O-N 2.98Å; P402-H435 HydrophobicContact CG-CB 4.35Å; H435-Q437 PolarHBondContact O-N 3.5Å | ||
| 436 | R | 55.8 | Low | 68.8 | Low | 216 Ų | 216 | 106.5 Ų | 106.5 | 82% | 0.815 | 54% | 0.54 | S | S | * | . | trans | -89.5 | 104.7 | 169.8 | -153 | 177.1 | -168.5 | 172 | 4.5 | 104.3 | T434 R438 | T434-R436 VanDerWaalsContact C-N 3.32Å; T434-R436 PolarHBondContact O-N 2.68Å; R436-R438 PolarHBondContact O-N 2.83Å | ||
| 437 | Q | 51.4 | Low | 66.8 | Low | 163 Ų | 163 | 110.7 Ų | 110.7 | 76% | 0.762 | 56% | 0.555 | S | S | * | * | trans | -58.2 | 90.7 | 172.7 | -153.9 | 168 | 20.4 | 0 | 0 | 106.4 | H435 T439 | H435-Q437 PolarHBondContact O-N 3.5Å; Q437-T439 VanDerWaalsContact C-N 3.25Å; Q437-T439 PolarHBondContact O-N 2.94Å | ||
| 438 | R | 46.8 | Very low | 64.6 | Low | 230 Ų | 230 | 113.6 Ų | 113.6 | 87% | 0.868 | 57% | 0.574 | S | S | * | * | trans | -65.8 | 103.2 | 170.4 | -160.8 | 177.9 | -169 | 179.3 | 2.7 | 101.6 | R436 V440 | R436-R438 PolarHBondContact O-N 2.83Å; R438-V440 VanDerWaalsContact C-N 3.27Å; R438-V440 PolarHBondContact O-N 3.46Å | ||
| 439 | T | 44.8 | Very low | 62.1 | Low | 115 Ų | 115 | 118.2 Ų | 118.2 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | trans | -46.7 | 107 | 164.7 | 26.9 | 0 | 0 | 0 | 0 | 104.8 | Q437 R441 | Q437-T439 VanDerWaalsContact C-N 3.25Å; Q437-T439 PolarHBondContact O-N 2.94Å; T439-R441 PolarHBondContact O-N 3.23Å | ||
| 440 | V | 50.3 | Low | 59.6 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | trans | -57.5 | 100.8 | 166.5 | 177.9 | 0 | 0 | 0 | 0 | 102 | R438 S442 | R438-V440 VanDerWaalsContact C-N 3.27Å; R438-V440 PolarHBondContact O-N 3.46Å; V440-S442 PolarHBondContact O-N 2.67Å | ||
| 441 | R | 46.6 | Very low | 56.8 | Low | 234 Ų | 234 | 129 Ų | 129 | 88% | 0.883 | 67% | 0.674 | S | S | * | * | trans | -67.4 | 89.1 | 164.2 | -76 | -172.2 | 174.7 | 179.9 | -1.6 | 102.8 | T439 C443 | T439-R441 PolarHBondContact O-N 3.23Å; R441-C443 VanDerWaalsContact C-N 3.3Å; R441-C443 PolarHBondContact O-N 3.04Å | ||
| 442 | S | 48.4 | Very low | 55 | Low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | trans | -55.7 | 106.5 | 165.2 | 46.2 | 0 | 0 | 0 | 0 | 104.7 | V440 A444 | V440-S442 PolarHBondContact O-N 2.67Å; S442-A444 PolarHBondContact O-N 3.09Å; S442-A444 VanDerWaalsContact O-N 3.13Å | ||
| 443 | C | 51.8 | Low | 53.1 | Low | 59 Ų | 59 | 135.8 Ų | 135.8 | 40% | 0.399 | 71% | 0.711 | S | S | . | * | trans | -60.7 | 118.9 | 165.6 | -174.7 | 0 | 0 | 0 | 0 | 105.3 | R441 Q445 C446 | R441-C443 VanDerWaalsContact C-N 3.3Å; R441-C443 PolarHBondContact O-N 3.04Å; C443-Q445 PolarHBondContact O-N 3.46Å; C443-C446 HydrophobicContact CB-CB 4.18Å; C443-C446 PolarHBondContact O-N 3.08Å | ||
| 444 | A | 57.2 | Low | 51.1 | Low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -15.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S442 | S442-A444 PolarHBondContact O-N 3.09Å; S442-A444 VanDerWaalsContact O-N 3.13Å |
| 445 | Q | 55.4 | Low | 49.3 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -5.4 | 175 | -75.8 | 155.7 | -37.8 | 0 | 0 | 114.8 | C443 | C443-Q445 PolarHBondContact O-N 3.46Š|
| 446 | C | 51.6 | Low | 48.1 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -111.5 | 5.4 | -178 | -59.2 | 0 | 0 | 0 | 0 | 114 | C443 Q448 | C443-C446 HydrophobicContact CB-CB 4.18Å; C443-C446 PolarHBondContact O-N 3.08Å; C446-Q448 PolarHBondContact O-N 3.3Å | ||
| 447 | Q | 45.8 | Very low | 47.6 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -70.6 | 110 | 165.3 | -87.3 | 177.2 | -21.6 | 0 | 0 | 108.1 | ||
| 448 | Q | 43.6 | Very low | 47.4 | Very low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 135.1 | 172.1 | -73.8 | -177.2 | -15.7 | 0 | 0 | 109.2 | C446 S450 | C446-Q448 PolarHBondContact O-N 3.3Å; Q448-S450 PolarHBondContact O-N 3.46Å |
| 449 | P | 40.8 | Very low | 47.4 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.4 | 173.4 | 26.3 | -30.7 | 0 | 0 | 0 | 108.5 | V451 | P449-V451 PolarHBondContact O-N 3.27Š|
| 450 | S | 42.3 | Very low | 47.6 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59 | 117.4 | 168.6 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | Q448 | Q448-S450 PolarHBondContact O-N 3.46Š|
| 451 | V | 37.7 | Very low | 47.4 | Very low | 207 Ų | 207 | 138.9 Ų | 138.9 | 100% | 1.255 | 78% | 0.778 | S | S | * | * | trans | -119.9 | 0 | 162 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | P449 | P449-V451 PolarHBondContact O-N 3.27Š|
Retrieved 451 of 451 residues in 176.2 ms
(Link to these results)