| 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 | 44.5 | Very low | 56.2 | Low | 240 Ų | 240 | 131.3 Ų | 131.3 | 100% | 1.182 | 67% | 0.668 | S | S | * | * | 0 | 136.5 | 0 | -57.8 | -165.4 | -62.1 | 0 | 0 | 108 | |||||
| 2 | S | 54.3 | Low | 56.5 | Low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | trans | -85.2 | 151.2 | -169.6 | -49.8 | 0 | 0 | 0 | 0 | 113.2 | E4 A5 | S2-E4 PolarHBondContact O-N 3.35Å; S2-E4 VanDerWaalsContact O-N 3.1Å; S2-A5 PolarHBondContact O-N 3.49Å | ||
| 3 | E | 51.8 | Low | 56.8 | Low | 157 Ų | 157 | 133.4 Ų | 133.4 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.1 | -23.5 | -175.8 | -59.4 | -178.2 | 96.5 | 0 | 0 | 113.9 | A5 V6 R7 | E3-A5 VanDerWaalsContact C-N 3.29Å; E3-A5 PolarHBondContact O-N 3.32Å; E3-V6 PolarHBondContact O-N 2.85Å; E3-V6 VanDerWaalsContact O-N 3.14Å; E3-R7 PolarHBondContact O-N 3.29Å; E3-R7 VanDerWaalsContact O-N 3.15Å |
| 4 | E | 47 | Very low | 57 | Low | 135 Ų | 135 | 134.3 Ų | 134.3 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -48.1 | -46.5 | 172.7 | -145 | 70.6 | -106.8 | 0 | 0 | 112.7 | S2 V6 R7 Q8 | S2-E4 PolarHBondContact O-N 3.35Å; S2-E4 VanDerWaalsContact O-N 3.1Å; E4-V6 VanDerWaalsContact C-N 3.31Å; E4-V6 PolarHBondContact O-N 3.01Å; E4-R7 WeakPolarHBondContact O-CB 3.48Å; E4-R7 PolarHBondContact O-N 3.35Å; E4-R7 VanDerWaalsContact O-N 3.12Å; E4-Q8 PolarHBondContact O-N 3.23Å |
| 5 | A | 52.1 | Low | 57.1 | Low | 53 Ų | 53 | 128.7 Ų | 128.7 | 44% | 0.438 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -67.7 | -31.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 E3 R7 T9 | S2-A5 PolarHBondContact O-N 3.49Å; E3-A5 VanDerWaalsContact C-N 3.29Å; E3-A5 PolarHBondContact O-N 3.32Å; A5-R7 VanDerWaalsContact C-N 3.35Å; A5-T9 PolarHBondContact O-N 2.98Å; A5-T9 PolarHBondContact O-OG1 3.45Å |
| 6 | V | 64.3 | Low | 56.7 | Low | 100 Ų | 100 | 127.4 Ų | 127.4 | 61% | 0.606 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.4 | -30.8 | 175.6 | -174 | 0 | 0 | 0 | 0 | 110.7 | E3 E4 T9 R10 | E3-V6 PolarHBondContact O-N 2.85Å; E3-V6 VanDerWaalsContact O-N 3.14Å; E4-V6 VanDerWaalsContact C-N 3.31Å; E4-V6 PolarHBondContact O-N 3.01Å; V6-T9 PolarHBondContact O-OG1 3.02Å; V6-R10 WeakPolarHBondContact O-CB 3.46Å; V6-R10 PolarHBondContact O-N 3.2Å |
| 7 | R | 61.5 | Low | 56.3 | Low | 179 Ų | 179 | 128.2 Ų | 128.2 | 68% | 0.675 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.9 | -42 | 173.8 | -67.3 | -177.2 | 178 | -144.2 | 1.1 | 112 | E3 E4 A5 R10 S11 | E3-R7 PolarHBondContact O-N 3.29Å; E3-R7 VanDerWaalsContact O-N 3.15Å; E4-R7 WeakPolarHBondContact O-CB 3.48Å; E4-R7 PolarHBondContact O-N 3.35Å; E4-R7 VanDerWaalsContact O-N 3.12Å; A5-R7 VanDerWaalsContact C-N 3.35Å; R7-R10 PolarHBondContact O-N 2.95Å; R7-S11 PolarHBondContact O-N 3.41Å |
| 8 | Q | 54.8 | Low | 55.9 | Low | 137 Ų | 137 | 131.7 Ų | 131.7 | 64% | 0.64 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.2 | -52.4 | 176.1 | -75.7 | -176.4 | -20.7 | 0 | 0 | 112.1 | E4 R10 S11 Q12 | E4-Q8 PolarHBondContact O-N 3.23Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 3.39Å; Q8-S11 WeakPolarHBondContact O-CA 3.45Å; Q8-S11 WeakPolarHBondContact O-CB 3.4Å; Q8-S11 PolarHBondContact O-N 3Å; Q8-Q12 PolarHBondContact O-N 2.79Å |
| 9 | T | 65.3 | Low | 55.3 | Low | 85 Ų | 85 | 130.3 Ų | 130.3 | 52% | 0.521 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -59.4 | -38 | 178.1 | 42.1 | 0 | 0 | 0 | 0 | 113 | A5 V6 S11 K13 | A5-T9 PolarHBondContact O-N 2.98Å; A5-T9 PolarHBondContact O-OG1 3.45Å; V6-T9 PolarHBondContact O-OG1 3.02Å; T9-S11 VanDerWaalsContact C-N 3.29Å; T9-S11 PolarHBondContact O-N 3.28Å; T9-K13 PolarHBondContact O-N 2.94Å; T9-K13 VanDerWaalsContact O-N 3.12Å |
| 10 | R | 61 | Low | 54.8 | Low | 182 Ų | 182 | 132.2 Ų | 132.2 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.7 | -17.7 | 175.3 | -163.9 | 175.8 | -172.8 | -129.9 | 1 | 114.2 | V6 R7 Q8 | V6-R10 WeakPolarHBondContact O-CB 3.46Å; V6-R10 PolarHBondContact O-N 3.2Å; R7-R10 PolarHBondContact O-N 2.95Å; Q8-R10 VanDerWaalsContact C-N 3.32Å; Q8-R10 PolarHBondContact O-N 3.39Å |
| 11 | S | 61.9 | Low | 54.3 | Low | 82 Ų | 82 | 130.1 Ų | 130.1 | 57% | 0.573 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82 | -51.7 | 170.5 | -160.9 | 0 | 0 | 0 | 0 | 110.4 | R7 Q8 T9 K13 R14 A15 | R7-S11 PolarHBondContact O-N 3.41Å; Q8-S11 WeakPolarHBondContact O-CA 3.45Å; Q8-S11 WeakPolarHBondContact O-CB 3.4Å; Q8-S11 PolarHBondContact O-N 3Å; T9-S11 VanDerWaalsContact C-N 3.29Å; T9-S11 PolarHBondContact O-N 3.28Å; S11-K13 PolarHBondContact O-N 2.99Å; S11-R14 WeakPolarHBondContact O-CA 3.49Å; S11-R14 WeakPolarHBondContact O-CB 3.49Å; S11-R14 PolarHBondContact O-N 2.63Å; S11-A15 PolarHBondContact O-N 2.8Å |
| 12 | Q | 59.2 | Low | 54.1 | Low | 134 Ų | 134 | 122.4 Ų | 122.4 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -58.9 | -41.2 | -176.6 | -161.4 | 174.6 | 34.2 | 0 | 0 | 112.7 | Q8 R14 A15 L16 | Q8-Q12 PolarHBondContact O-N 2.79Å; Q12-R14 PolarHBondContact O-N 3.34Å; Q12-R14 VanDerWaalsContact O-N 3.13Å; Q12-A15 PolarHBondContact O-N 2.89Å; Q12-A15 VanDerWaalsContact O-N 3.1Å; Q12-L16 PolarHBondContact O-N 3.31Å |
| 13 | K | 61.2 | Low | 53.5 | Low | 156 Ų | 156 | 125.7 Ų | 125.7 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.7 | -27.3 | 174 | -176.2 | 165.1 | -178.1 | 167.9 | 0 | 113.5 | T9 S11 E17 | T9-K13 PolarHBondContact O-N 2.94Å; T9-K13 VanDerWaalsContact O-N 3.12Å; S11-K13 PolarHBondContact O-N 2.99Å; K13-E17 PolarHBondContact O-N 3.38Å |
| 14 | R | 59.8 | Low | 52.5 | Low | 146 Ų | 146 | 122 Ų | 122 | 55% | 0.551 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -90.8 | -7.2 | -178.6 | -131.8 | -175.6 | -50.9 | -172.4 | 9.4 | 114.2 | S11 Q12 | S11-R14 WeakPolarHBondContact O-CA 3.49Å; S11-R14 WeakPolarHBondContact O-CB 3.49Å; S11-R14 PolarHBondContact O-N 2.63Å; Q12-R14 PolarHBondContact O-N 3.34Å; Q12-R14 VanDerWaalsContact O-N 3.13Å |
| 15 | A | 57.3 | Low | 51.7 | Low | 50 Ų | 50 | 119.3 Ų | 119.3 | 41% | 0.413 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -79.8 | -53.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S11 Q12 E17 R18 D19 | S11-A15 PolarHBondContact O-N 2.8Å; Q12-A15 PolarHBondContact O-N 2.89Å; Q12-A15 VanDerWaalsContact O-N 3.1Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 3.46Å; A15-R18 WeakPolarHBondContact O-CA 3.3Å; A15-R18 WeakPolarHBondContact O-CB 3.47Å; A15-R18 PolarHBondContact O-N 3.49Å; A15-D19 PolarHBondContact O-N 3.01Å |
| 16 | L | 51.8 | Low | 50.9 | Low | 109 Ų | 109 | 122.5 Ų | 122.5 | 57% | 0.571 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.7 | -36.5 | -178.7 | -61.7 | 173.5 | 0 | 0 | 0 | 113.6 | Q12 R18 D19 H20 | Q12-L16 PolarHBondContact O-N 3.31Å; L16-R18 PolarHBondContact O-N 2.95Å; L16-D19 PolarHBondContact O-N 2.99Å; L16-H20 PolarHBondContact O-CD2 3.4Å; L16-H20 PolarHBondContact O-N 3.28Å |
| 17 | E | 49.6 | Very low | 49.5 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -63.9 | -18.8 | 174.1 | -161.1 | -176.9 | 148.7 | 0 | 0 | 112.9 | K13 A15 | K13-E17 PolarHBondContact O-N 3.38Å; A15-E17 VanDerWaalsContact C-N 3.3Å; A15-E17 PolarHBondContact O-N 3.46Å |
| 18 | R | 49.2 | Very low | 48 | Very low | 190 Ų | 190 | 118.4 Ų | 118.4 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -87.6 | -40.1 | 179.2 | -151 | -179.2 | -148.6 | 80 | 1.1 | 112.2 | A15 L16 A21 | A15-R18 WeakPolarHBondContact O-CA 3.3Å; A15-R18 WeakPolarHBondContact O-CB 3.47Å; A15-R18 PolarHBondContact O-N 3.49Å; L16-R18 PolarHBondContact O-N 2.95Å; R18-A21 WeakPolarHBondContact O-CB 3.45Å; R18-A21 PolarHBondContact O-N 2.93Å |
| 19 | D | 45.1 | Very low | 46.9 | Very low | 105 Ų | 105 | 119 Ų | 119 | 56% | 0.561 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.5 | -39.1 | 177.4 | -64.6 | -60.9 | 0 | 0 | 0 | 111.7 | A15 L16 A21 A22 | A15-D19 PolarHBondContact O-N 3.01Å; L16-D19 PolarHBondContact O-N 2.99Å; D19-A21 PolarHBondContact O-N 3.4Å; D19-A21 VanDerWaalsContact O-N 3.09Å; D19-A22 PolarHBondContact O-N 3Å |
| 20 | H | 45.1 | Very low | 45.6 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -15.7 | 173.5 | -88.1 | -74.5 | 0 | 0 | 0 | 114.4 | L16 | L16-H20 PolarHBondContact O-CD2 3.4Å; L16-H20 PolarHBondContact O-N 3.28Å |
| 21 | A | 44 | Very low | 44.2 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -6.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R18 D19 | R18-A21 WeakPolarHBondContact O-CB 3.45Å; R18-A21 PolarHBondContact O-N 2.93Å; D19-A21 PolarHBondContact O-N 3.4Å; D19-A21 VanDerWaalsContact O-N 3.09Å |
| 22 | A | 40.5 | Very low | 42.9 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -15.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D19 | D19-A22 PolarHBondContact O-N 3Š|
| 23 | L | 40.4 | Very low | 41.7 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -118.8 | 83.3 | -174.5 | -66.9 | 175.1 | 0 | 0 | 0 | 111.3 | ||||
| 24 | G | 32.4 | Very low | 40.3 | Very low | 80 Ų | 80 | 128 Ų | 128 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -151.3 | 34.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 25 | G | 28.2 | Very low | 38.9 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 142.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 26 | S | 35.6 | Very low | 37.6 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 133.1 | 180 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 27 | P | 35.6 | Very low | 36.5 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 141.7 | 155.2 | 34.7 | -28.2 | 0 | 0 | 0 | 110.4 | ||
| 28 | G | 30 | Very low | 35.3 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | -108.9 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 29 | D | 32.7 | Very low | 34.4 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 32 | 119.3 | 146.9 | -146.1 | -97.8 | 0 | 0 | 0 | 119.8 | ||||
| 30 | M | 37.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -142.3 | 145.9 | 156.7 | -91.5 | -65 | 102.4 | 0 | 0 | 111.4 | ||||
| 31 | D | 30.4 | Very low | 32.7 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 158 | -164.9 | -172.8 | -140.7 | 0 | 0 | 0 | 116.1 | ||||
| 32 | G | 36.2 | Very low | 31.9 | Very low | 56 Ų | 56 | 133.5 Ų | 133.5 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | trans | -101.7 | 170.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 33 | K | 32.3 | Very low | 31.3 | Very low | 222 Ų | 222 | 135.1 Ų | 135.1 | 97% | 0.965 | 79% | 0.794 | S | S | * | * | trans | -143.9 | 150 | 169.2 | -138.6 | 164.4 | -171.9 | 170.3 | 0 | 114 | ||||
| 34 | R | 33.2 | Very low | 30.6 | Very low | 219 Ų | 219 | 131.2 Ų | 131.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -113.8 | 138 | -165.1 | 174.4 | -151.3 | -58.8 | -99.1 | 2.4 | 111.5 | ||||
| 35 | V | 30.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 132 Ų | 132 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -174.9 | 130.5 | 149.1 | 139.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 36 | K | 29.2 | Very low | 31.1 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | cis | 87.9 | 84.8 | 15 | -157.7 | -163.8 | 172.6 | -175.1 | 0 | 117.9 | ||||
| 37 | L | 29.4 | Very low | 30.7 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -159 | 127.6 | 141.2 | -140.3 | 66.3 | 0 | 0 | 0 | 105.9 | ||||
| 38 | E | 24.5 | Very low | 30.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 56% | 0.556 | 78% | 0.783 | S | S | * | * | cis | 87.3 | 126.8 | 23.9 | -128.2 | -59.6 | 77.5 | 0 | 0 | 114.8 | ||||
| 39 | R | 28.9 | Very low | 30.2 | Very low | 215 Ų | 215 | 137.7 Ų | 137.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | 60.7 | 148 | -177.1 | -79.1 | 148.2 | -165.3 | -79.3 | -14.8 | 118 | ||||
| 40 | G | 27.8 | Very low | 30.1 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | 133.1 | 158.3 | 5.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 41 | D | 26.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | cis | -169.2 | -163.7 | -5.6 | -159.2 | -67.3 | 0 | 0 | 0 | 105.7 | ||||
| 42 | A | 28.4 | Very low | 30.2 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 75.1 | 98.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 43 | A | 26.6 | Very low | 29.9 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | 75.4 | 144.8 | 124.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 44 | G | 26.2 | Very low | 29.8 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 158.9 | 44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 45 | A | 29.4 | Very low | 29.7 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -85.5 | 168.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 46 | P | 41.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -156 | -174.6 | 41.7 | 46.8 | -25.7 | 0 | 0 | 0 | 118.6 | ||||
| 47 | L | 27.8 | Very low | 29.8 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 63.5 | 149.6 | 162.2 | -57.2 | 177.1 | 0 | 0 | 0 | 117.6 | ||||
| 48 | A | 27.5 | Very low | 29.7 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | cis | -167.3 | -166.8 | -21.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 49 | L | 27.1 | Very low | 30.1 | Very low | 153 Ų | 153 | 126 Ų | 126 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | cis | -160.9 | 162.4 | 1.4 | -162.8 | 70.2 | 0 | 0 | 0 | 109.1 | ||||
| 50 | V | 30.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | 64 | 147.9 | 167.8 | -135 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 51 | G | 25.6 | Very low | 30.1 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | trans | -109 | -150 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 52 | P | 45.8 | Very low | 30.5 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | cis | -132.4 | 177.6 | 4.8 | 42.9 | -26.8 | 0 | 0 | 0 | 115.8 | ||||
| 53 | A | 29.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | 29 | 119.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 54 | A | 31.2 | Very low | 31.1 | Very low | 106 Ų | 106 | 130 Ų | 130 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -163 | 156.4 | 131.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 55 | E | 30.3 | Very low | 31.6 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -88.8 | 160.8 | 171.8 | -63.1 | -167 | 122.7 | 0 | 0 | 112.3 | ||||
| 56 | G | 27.8 | Very low | 31.8 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 139.9 | 88.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 57 | M | 35 | Very low | 31.4 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | 62.5 | 147 | 148 | -58.4 | -167.8 | 169.5 | 0 | 0 | 122.8 | ||||
| 58 | K | 27.1 | Very low | 31.6 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 95.8 | 91.3 | 136.5 | -152.9 | 163.9 | 178 | -75.1 | 0 | 121.7 | ||||
| 59 | L | 32.6 | Very low | 31.9 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 63.5 | 123.4 | 134.1 | -60.5 | 173.9 | 0 | 0 | 0 | 122.5 | ||||
| 60 | K | 28.1 | Very low | 32.1 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 66.8 | 114.7 | 134.5 | -174.5 | -175.8 | 178.8 | -176.8 | 0 | 119.6 | ||||
| 61 | S | 28.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -167.1 | -177.3 | 108.4 | -147.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 62 | E | 33.5 | Very low | 32.6 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -116.9 | 168.8 | -160.2 | -170.6 | -166.6 | 112.5 | 0 | 0 | 112.7 | ||||
| 63 | Q | 35.1 | Very low | 31.9 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 109.6 | 153.4 | 130.1 | -141.1 | -178.5 | 78.6 | 0 | 0 | 122.2 | ||||
| 64 | A | 33.4 | Very low | 32.1 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 89.7 | 148.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 65 | A | 35.8 | Very low | 31.9 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | cis | -142.5 | -152.2 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 66 | K | 35.4 | Very low | 31.9 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | cis | -161.6 | 132.7 | 4.9 | -127.4 | 155.5 | -174.9 | 179.6 | 0 | 106.8 | ||||
| 67 | V | 32.7 | Very low | 32.1 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | 79.4 | 136.9 | 95 | 164.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 68 | A | 31.7 | Very low | 32 | Very low | 84 Ų | 84 | 140.7 Ų | 140.7 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | cis | -173.5 | -178.6 | -16.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 69 | A | 32.4 | Very low | 32.3 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 74.3 | 154.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 70 | S | 32.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -171.6 | 169.1 | -25.9 | -165 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 71 | I | 33.8 | Very low | 32.5 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 79.5 | 116.6 | 149.9 | -83 | 158.2 | 0 | 0 | 0 | 123.3 | ||||
| 72 | L | 33.7 | Very low | 32.6 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 62.6 | 139.1 | 140.5 | -66.4 | 179.8 | 0 | 0 | 0 | 127 | ||||
| 73 | K | 30.8 | Very low | 32.6 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 102.1 | 152.3 | 130.3 | -93.6 | 171.5 | -178.7 | 178.5 | 0 | 122.5 | ||||
| 74 | T | 33.3 | Very low | 32.4 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -87.1 | 153.8 | -176.3 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 75 | G | 26.5 | Very low | 32.3 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | -174 | 123.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 76 | E | 31.1 | Very low | 32 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -93.8 | 133.2 | 169 | 177.2 | -162.2 | 139.4 | 0 | 0 | 109.6 | ||||
| 77 | V | 30.2 | Very low | 31.9 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -149.1 | 164.8 | 157.8 | -130.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 78 | K | 33.2 | Very low | 31.8 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 135.7 | -156.5 | 159.9 | -167.4 | 171.4 | -172.4 | 0 | 111.7 | ||||
| 79 | A | 33.4 | Very low | 31.6 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -145.8 | 128.2 | 161 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 80 | T | 31.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 63% | 0.632 | 78% | 0.782 | S | S | * | * | cis | 75.3 | 89.7 | 21.1 | -41 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 81 | I | 33.7 | Very low | 33.1 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | -149 | 154.6 | 148.8 | -98.1 | 157.7 | 0 | 0 | 0 | 106.5 | ||||
| 82 | K | 31.4 | Very low | 33.3 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | trans | -156.5 | 146 | -156.4 | 170.1 | -172.3 | 177.2 | -152 | 0 | 112.3 | ||||
| 83 | L | 34.6 | Very low | 33.9 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 58% | 0.576 | 77% | 0.773 | S | S | * | * | trans | 63.1 | 165.7 | 172.6 | -71.3 | 161.4 | 0 | 0 | 0 | 115.7 | V85 | L83-V85 HydrophobicContact CD2-CG2 4.15Š| ||
| 84 | E | 30.6 | Very low | 33.8 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -115 | 161.7 | -12.9 | -94.6 | 91.7 | -152.5 | 0 | 0 | 108.6 | ||||
| 85 | V | 30.9 | Very low | 34.3 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | cis | 82.7 | 102.9 | 29.8 | -177.9 | 0 | 0 | 0 | 0 | 116.3 | L83 | L83-V85 HydrophobicContact CD2-CG2 4.15Š| ||
| 86 | Q | 29.6 | Very low | 34.6 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -162.3 | 139.8 | 141.3 | -137.5 | 87.1 | 103.5 | 0 | 0 | 113.2 | ||||
| 87 | T | 32 | Very low | 34.6 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 4.6 | 145.2 | 159.8 | 49.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 88 | G | 32.3 | Very low | 34.8 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | 127.1 | 139.7 | -5.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 89 | D | 27.5 | Very low | 34.8 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | -164.5 | 167.6 | 153.6 | -150.2 | -150.4 | 0 | 0 | 0 | 110.8 | ||||
| 90 | E | 38.8 | Very low | 34.7 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | trans | -131.4 | -165.1 | -173 | -123.6 | -133.5 | 120.8 | 0 | 0 | 111.1 | ||||
| 91 | P | 56.9 | Low | 34.8 | Very low | 97 Ų | 97 | 138.6 Ų | 138.6 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | cis | -127.5 | -174.8 | -14.7 | 24.9 | -1.3 | 0 | 0 | 0 | 114.7 | ||||
| 92 | V | 38.3 | Very low | 35 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 144.1 | 122.8 | 131.9 | 169.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 93 | D | 45.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 139 Ų | 139 | 64% | 0.642 | 76% | 0.759 | S | S | * | * | trans | -95.2 | 156.4 | 173.4 | 175.1 | 44 | 0 | 0 | 0 | 112.8 | S95 | D93-S95 PolarHBondContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 2.89Å; D93-S95 PolarHBondContact OD2-N 2.81Å; D93-S95 PolarHBondContact OD2-OG 2.96Å | ||
| 94 | M | 29.2 | Very low | 34.8 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 86% | 0.862 | 76% | 0.759 | S | S | * | * | trans | -150.5 | 83.6 | 156.6 | -87.2 | -130 | 72.3 | 0 | 0 | 111.6 | ||||
| 95 | S | 43.6 | Very low | 34.7 | Very low | 76 Ų | 76 | 140.5 Ų | 140.5 | 53% | 0.531 | 76% | 0.763 | S | S | . | * | trans | -66.8 | 150 | 169.8 | -66.9 | 0 | 0 | 0 | 0 | 114.1 | D93 | D93-S95 PolarHBondContact OD1-N 3.11Å; D93-S95 PolarHBondContact OD1-OG 2.89Å; D93-S95 PolarHBondContact OD2-N 2.81Å; D93-S95 PolarHBondContact OD2-OG 2.96Å | ||
| 96 | T | 32.4 | Very low | 34.6 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -141.3 | 147 | 146.7 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 97 | S | 31.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -150.5 | 170.7 | -163.5 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 98 | K | 35.3 | Very low | 36.4 | Very low | 210 Ų | 210 | 140.8 Ų | 140.8 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | 79.7 | 154 | 172.7 | -63.2 | 179.8 | 175.3 | 177.4 | 0 | 115.1 | ||||
| 99 | S | 31.9 | Very low | 36.4 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | cis | -132.3 | 162.3 | 16 | 51.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 100 | D | 31.7 | Very low | 37.4 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -138.9 | 136 | 171.1 | -174.8 | -59.2 | 0 | 0 | 0 | 107.4 | ||||
| 101 | I | 34.2 | Very low | 37.2 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 80% | 0.795 | 75% | 0.753 | S | S | * | * | trans | -144.6 | 146.4 | 175.8 | -76.8 | 102 | 0 | 0 | 0 | 108.8 | ||||
| 102 | K | 36.8 | Very low | 36.5 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | trans | -142.1 | 154.1 | -166.2 | 176 | 177 | 177.8 | 176.1 | 0 | 111.8 | ||||
| 103 | K | 33.3 | Very low | 36.7 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | 96.4 | 150.4 | -175 | -67.5 | -176.9 | 138.7 | -145.5 | 0 | 113.8 | ||||
| 104 | E | 29.7 | Very low | 36.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | cis | -157.9 | 161 | 3.8 | -129.7 | 179.6 | 90.4 | 0 | 0 | 115.9 | ||||
| 105 | Q | 28.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | 59.2 | -178.7 | 154.1 | -76 | -169.2 | 56.5 | 0 | 0 | 122 | ||||
| 106 | Q | 27.8 | Very low | 37 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -134 | -158 | -143.5 | -141.9 | 176.9 | -75.7 | 0 | 0 | 114.6 | ||||
| 107 | P | 54.8 | Low | 37.6 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | -111.6 | -176.2 | -126.1 | 47.6 | -32.3 | 0 | 0 | 0 | 114.9 | |||||
| 108 | P | 44.9 | Very low | 38 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | -147.6 | -173.4 | 78.8 | 38 | -16.4 | 0 | 0 | 0 | 117.1 | |||||
| 109 | S | 32.7 | Very low | 38.8 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -68.6 | -178.5 | -177.1 | -114 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 110 | P | 48.5 | Very low | 39.2 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 62% | 0.617 | 75% | 0.754 | S | S | * | * | cis | -136.1 | -170.8 | 11.9 | 43.2 | -24.4 | 0 | 0 | 0 | 117.3 | ||||
| 111 | D | 34.9 | Very low | 39.7 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | 67.7 | 135.8 | 164.7 | -48.8 | -29.9 | 0 | 0 | 0 | 118.3 | ||||
| 112 | D | 41.7 | Very low | 40.4 | Very low | 145 Ų | 145 | 137 Ų | 137 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | cis | -134.6 | 140.1 | 6.9 | -148 | -18.9 | 0 | 0 | 0 | 110.6 | ||||
| 113 | V | 42 | Very low | 40.5 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -112.6 | 85.6 | -169.8 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | V115 | V113-V115 HydrophobicContact CG1-CG2 3.76Å; V113-V115 PolarHBondContact O-N 3.47Å | ||
| 114 | I | 43.2 | Very low | 40.8 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | -87.9 | 77.2 | 168.2 | -48.8 | -176.7 | 0 | 0 | 0 | 109.8 | L116 | I114-L116 HydrophobicContact CG2-CD2 3.76Å; I114-L116 HydrophobicContact CG2-CG 3.95Å; I114-L116 PolarHBondContact O-N 3.06Å; I114-L116 VanDerWaalsContact O-N 3.12Å | ||
| 115 | V | 43 | Very low | 41.5 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | trans | -72.5 | 97.5 | 160.8 | 170.7 | 0 | 0 | 0 | 0 | 107.8 | V113 S117 | V113-V115 HydrophobicContact CG1-CG2 3.76Å; V113-V115 PolarHBondContact O-N 3.47Å; V115-S117 PolarHBondContact O-N 3.36Å; V115-S117 VanDerWaalsContact O-N 3.08Å | ||
| 116 | L | 37.6 | Very low | 42.4 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -73 | 94.8 | 163 | -65.8 | -174.2 | 0 | 0 | 0 | 108.7 | I114 D118 | I114-L116 HydrophobicContact CG2-CD2 3.76Å; I114-L116 HydrophobicContact CG2-CG 3.95Å; I114-L116 PolarHBondContact O-N 3.06Å; I114-L116 VanDerWaalsContact O-N 3.12Å; L116-D118 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 3.38Å | ||
| 117 | S | 46 | Very low | 43.6 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -66.4 | 90 | 168.5 | -66.4 | 0 | 0 | 0 | 0 | 110.4 | V115 N119 | V115-S117 PolarHBondContact O-N 3.36Å; V115-S117 VanDerWaalsContact O-N 3.08Å; S117-N119 PolarHBondContact O-N 3.11Å; S117-N119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | D | 39.9 | Very low | 43.2 | Very low | 157 Ų | 157 | 124 Ų | 124 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | -82.5 | 83.2 | 170.6 | -157.5 | -28 | 0 | 0 | 0 | 109.7 | L116 | L116-D118 VanDerWaalsContact C-N 3.35Å; L116-D118 PolarHBondContact O-N 3.38Å | ||
| 119 | N | 51.4 | Low | 43.4 | Very low | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -143.2 | 75.9 | 179.7 | -179.1 | 98 | 0 | 0 | 0 | 110.1 | S117 | S117-N119 PolarHBondContact O-N 3.11Å; S117-N119 VanDerWaalsContact O-N 3.14Å | ||
| 120 | E | 40.6 | Very low | 43.9 | Very low | 156 Ų | 156 | 126 Ų | 126 | 73% | 0.729 | 73% | 0.734 | S | S | * | * | trans | 159.7 | 151.5 | 153.5 | -99 | -78.7 | 84.7 | 0 | 0 | 110.4 | ||||
| 121 | P | 41.8 | Very low | 44 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | cis | -108.4 | 175.4 | -32.6 | 1.6 | 21.2 | 0 | 0 | 0 | 111.6 | S123 | P121-S123 PolarHBondContact O-N 3.49Š| ||
| 122 | S | 48.3 | Very low | 45.3 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | trans | -65.3 | 100.7 | 168.7 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 123 | S | 39.3 | Very low | 45.9 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | -65.3 | 140.2 | 162.9 | -73.6 | 0 | 0 | 0 | 0 | 110.4 | P121 V125 | P121-S123 PolarHBondContact O-N 3.49Å; S123-V125 PolarHBondContact O-N 2.97Å | ||
| 124 | P | 39.9 | Very low | 46.5 | Very low | 127 Ų | 127 | 123 Ų | 123 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -69.8 | 115.9 | -166.2 | 26.2 | -34.8 | 0 | 0 | 0 | 112.6 | M126 | P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.36Å | ||
| 125 | V | 44.7 | Very low | 47.5 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | trans | -73.8 | 81.5 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 110.5 | S123 N127 | S123-V125 PolarHBondContact O-N 2.97Å; V125-N127 PolarHBondContact O-N 2.96Å | ||
| 126 | M | 47.6 | Very low | 48.8 | Very low | 162 Ų | 162 | 117.1 Ų | 117.1 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -57.1 | 101.1 | 167.6 | 166.7 | 59.3 | 81.2 | 0 | 0 | 109.8 | P124 | P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.36Å |
| 127 | N | 52.2 | Low | 50.2 | Low | 115 Ų | 115 | 113.6 Ų | 113.6 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 75.9 | 92 | -169.5 | -45.3 | -78.9 | 0 | 0 | 0 | 113.6 | V125 H129 | V125-N127 PolarHBondContact O-N 2.96Å; N127-H129 PolarHBondContact O-N 3.5Å; N127-H129 VanDerWaalsContact O-N 3.12Å |
| 128 | G | 46.3 | Very low | 51.3 | Low | 62 Ų | 62 | 114.5 Ų | 114.5 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | trans | -76.4 | 92.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 129 | H | 50.4 | Low | 52.5 | Low | 174 Ų | 174 | 108.8 Ų | 108.8 | 81% | 0.806 | 61% | 0.611 | S | S | * | * | trans | -123.8 | 77.7 | 157.2 | -84.2 | -64.2 | 0 | 0 | 0 | 110.5 | N127 F131 | N127-H129 PolarHBondContact O-N 3.5Å; N127-H129 VanDerWaalsContact O-N 3.12Å; H129-F131 PolarHBondContact O-N 3.44Å | ||
| 130 | C | 42 | Very low | 53.4 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 74% | 0.736 | 61% | 0.606 | S | S | * | * | trans | -77.9 | 107.6 | 163.1 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | T132 | C130-T132 PolarHBondContact O-N 3.12Å; C130-T132 VanDerWaalsContact O-N 3.15Å | ||
| 131 | F | 51.5 | Low | 54.9 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 53% | 0.531 | 60% | 0.604 | S | S | . | * | trans | -70.6 | 104.5 | 166.7 | -110.7 | -87.8 | 0 | 0 | 0 | 108.1 | H129 D135 L154 | H129-F131 PolarHBondContact O-N 3.44Å; F131-D135 HydrophobicContact CD1-CB 4.05Å; F131-D135 HydrophobicContact CE1-CB 4.25Å; F131-L154 HydrophobicContact CE2-CD2 3.85Å; F131-L154 HydrophobicContact CZ-CD1 4.07Å; F131-L154 HydrophobicContact CZ-CD2 3.92Å | ||
| 132 | T | 61.2 | Low | 56.5 | Low | 55 Ų | 55 | 105.2 Ų | 105.2 | 34% | 0.337 | 58% | 0.583 | S | S | . | * | trans | -75.1 | 155 | -179.2 | 75 | 0 | 0 | 0 | 0 | 110.2 | C130 T134 D135 T136 | C130-T132 PolarHBondContact O-N 3.12Å; C130-T132 VanDerWaalsContact O-N 3.15Å; T132-T134 PolarHBondContact O-N 3.08Å; T132-T134 VanDerWaalsContact O-N 3.15Å; T132-T134 WeakPolarHBondContact OG1-CB 3.36Å; T132-T134 PolarHBondContact OG1-N 2.58Å; T132-D135 WeakPolarHBondContact CB-OD2 3.3Å; T132-D135 PolarHBondContact N-OD2 3.42Å; T132-D135 PolarHBondContact O-N 2.65Å; T132-D135 PolarHBondContact OG1-N 2.98Å; T132-D135 PolarHBondContact OG1-OD2 3.36Å; T132-T136 PolarHBondContact O-N 2.83Å | ||
| 133 | K | 55.1 | Low | 58.2 | Low | 184 Ų | 184 | 101.6 Ų | 101.6 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -53.3 | -36.4 | 173.1 | -67.6 | 179.6 | 179.3 | 176.1 | 0 | 111.2 | D135 T136 D137 | K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 3.1Å; K133-T136 WeakPolarHBondContact O-CB 3.28Å; K133-T136 PolarHBondContact O-N 3Å; K133-D137 PolarHBondContact O-N 3.11Å |
| 134 | T | 54.6 | Low | 60.1 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.1 | -29 | 175.3 | -37 | 0 | 0 | 0 | 0 | 113.8 | T132 D137 K138 | T132-T134 PolarHBondContact O-N 3.08Å; T132-T134 VanDerWaalsContact O-N 3.15Å; T132-T134 WeakPolarHBondContact OG1-CB 3.36Å; T132-T134 PolarHBondContact OG1-N 2.58Å; T134-D137 WeakPolarHBondContact O-CB 3.46Å; T134-K138 VanDerWaalsContact O-CG 3.29Å; T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 3.02Å; T134-K138 VanDerWaalsContact O-N 3.11Å |
| 135 | D | 64.4 | Low | 62.1 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 25% | 0.251 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.8 | -33 | 178.7 | -59.1 | -53.6 | 0 | 0 | 0 | 112.1 | F131 T132 K133 D137 K138 L139 | F131-D135 HydrophobicContact CD1-CB 4.05Å; F131-D135 HydrophobicContact CE1-CB 4.25Å; T132-D135 WeakPolarHBondContact CB-OD2 3.3Å; T132-D135 PolarHBondContact N-OD2 3.42Å; T132-D135 PolarHBondContact O-N 2.65Å; T132-D135 PolarHBondContact OG1-N 2.98Å; T132-D135 PolarHBondContact OG1-OD2 3.36Å; K133-D135 VanDerWaalsContact C-N 3.26Å; K133-D135 PolarHBondContact O-N 3.1Å; D135-D137 VanDerWaalsContact C-N 3.32Å; D135-K138 PolarHBondContact O-N 3.37Å; D135-K138 IonicContact OD1-NZ 2.71Å; D135-K138 PolarHBondContact OD1-NZ 3.43Å; D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 3.04Å |
| 136 | T | 70.3 | Confident | 63.8 | Low | 77 Ų | 77 | 98.3 Ų | 98.3 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 166.8 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | T132 K133 L139 M140 | T132-T136 PolarHBondContact O-N 2.83Å; K133-T136 WeakPolarHBondContact O-CB 3.28Å; K133-T136 PolarHBondContact O-N 3Å; T136-L139 PolarHBondContact O-N 2.95Å; T136-M140 VanDerWaalsContact O-CG 3.26Å; T136-M140 WeakPolarHBondContact O-CG 3.37Å; T136-M140 PolarHBondContact O-N 3.27Å |
| 137 | D | 65.8 | Low | 65.6 | Low | 75 Ų | 75 | 93.7 Ų | 93.7 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 173.3 | -104.5 | -70 | 0 | 0 | 0 | 112.6 | K133 T134 D135 L139 M140 K141 | K133-D137 PolarHBondContact O-N 3.11Å; T134-D137 WeakPolarHBondContact O-CB 3.46Å; D135-D137 VanDerWaalsContact C-N 3.32Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 3.39Å; D137-M140 PolarHBondContact O-N 2.96Å; D137-K141 WeakPolarHBondContact O-CB 3.34Å; D137-K141 WeakPolarHBondContact O-CD 3.04Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 3.42Å; D137-K141 IonicContact OD1-NZ 3.65Å; D137-K141 PolarHBondContact OD1-NZ 3.35Å |
| 138 | K | 69.6 | Low | 67.2 | Low | 125 Ų | 125 | 93.4 Ų | 93.4 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.7 | -69.1 | 165.2 | -157.8 | 162.7 | 0 | 111.4 | T134 D135 M140 K141 S142 | T134-K138 VanDerWaalsContact O-CG 3.29Å; T134-K138 WeakPolarHBondContact O-CG 3.46Å; T134-K138 PolarHBondContact O-N 3.02Å; T134-K138 VanDerWaalsContact O-N 3.11Å; D135-K138 PolarHBondContact O-N 3.37Å; D135-K138 IonicContact OD1-NZ 2.71Å; D135-K138 PolarHBondContact OD1-NZ 3.43Å; K138-M140 VanDerWaalsContact C-N 3.3Å; K138-M140 PolarHBondContact O-N 3.42Å; K138-K141 CarbonylContact O-C 3.53Å; K138-K141 PolarHBondContact O-N 2.96Å; K138-K141 VanDerWaalsContact O-N 3.1Å; K138-S142 PolarHBondContact O-N 3.42Å |
| 139 | L | 66.3 | Low | 69.2 | Low | 37 Ų | 37 | 97 Ų | 97 | 19% | 0.194 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66 | -31.5 | 178.9 | -173.7 | 61.9 | 0 | 0 | 0 | 112.5 | D135 T136 D137 S142 R147 I150 | D135-L139 WeakPolarHBondContact O-CB 3.49Å; D135-L139 PolarHBondContact O-N 3.04Å; T136-L139 PolarHBondContact O-N 2.95Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L139 PolarHBondContact O-N 3.39Å; L139-S142 PolarHBondContact O-OG 2.86Å; L139-S142 VanDerWaalsContact O-OG 3.13Å; L139-R147 HydrophobicContact CD1-CB 4.24Å; L139-R147 HydrophobicContact CD1-CG 3.91Å; L139-R147 HydrophobicContact CG-CG 4.34Å; L139-R147 VanDerWaalsContact O-CZ 3.25Å; L139-R147 PolarHBondContact O-NE 3.46Å; L139-R147 PolarHBondContact O-NH2 3.28Å; L139-I150 HydrophobicContact CD1-CB 3.94Å; L139-I150 HydrophobicContact CD1-CD1 3.72Å; L139-I150 HydrophobicContact CD1-CG1 4.44Å; L139-I150 HydrophobicContact CD1-CG2 3.85Å |
| 140 | M | 68.8 | Low | 70.9 | Confident | 135 Ų | 135 | 91.1 Ų | 91.1 | 67% | 0.665 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -73.9 | -26.5 | 172.5 | -70.4 | -106.3 | 57.8 | 0 | 0 | 112.7 | T136 D137 K138 R147 | T136-M140 VanDerWaalsContact O-CG 3.26Å; T136-M140 WeakPolarHBondContact O-CG 3.37Å; T136-M140 PolarHBondContact O-N 3.27Å; D137-M140 PolarHBondContact O-N 2.96Å; K138-M140 VanDerWaalsContact C-N 3.3Å; K138-M140 PolarHBondContact O-N 3.42Å; M140-R147 PolarHBondContact O-NH2 2.9Å |
| 141 | K | 73.5 | Confident | 73.1 | Confident | 158 Ų | 158 | 89.2 Ų | 89.2 | 69% | 0.687 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -96.1 | -13.1 | -179 | -70.9 | 159.9 | 179.7 | 155.2 | 0 | 114.4 | D137 K138 | D137-K141 WeakPolarHBondContact O-CB 3.34Å; D137-K141 WeakPolarHBondContact O-CD 3.04Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 3.42Å; D137-K141 IonicContact OD1-NZ 3.65Å; D137-K141 PolarHBondContact OD1-NZ 3.35Å; K138-K141 CarbonylContact O-C 3.53Å; K138-K141 PolarHBondContact O-N 2.96Å; K138-K141 VanDerWaalsContact O-N 3.1Å |
| 142 | S | 75.8 | Confident | 75.1 | Confident | 23 Ų | 23 | 89.4 Ų | 89.4 | 16% | 0.161 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -68.9 | 165.9 | 175.5 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | K138 L139 R147 | K138-S142 PolarHBondContact O-N 3.42Å; L139-S142 PolarHBondContact O-OG 2.86Å; L139-S142 VanDerWaalsContact O-OG 3.13Å; S142-R147 PolarHBondContact O-NH2 3.42Å |
| 143 | S | 82.9 | Confident | 76.6 | Confident | 48 Ų | 48 | 93.6 Ų | 93.6 | 34% | 0.336 | 46% | 0.455 | S | S | . | . | trans | -65 | 158.8 | 173.6 | 95.1 | 0 | 0 | 0 | 0 | 111.9 | E145 E146 R147 | S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 WeakPolarHBondContact CB-OE2 3.36Å; S143-E145 PolarHBondContact O-N 2.85Å; S143-E145 PolarHBondContact OG-N 3.35Å; S143-E145 PolarHBondContact OG-OE2 2.91Å; S143-E146 PolarHBondContact O-N 3.17Å; S143-E146 PolarHBondContact OG-N 2.92Å; S143-R147 WeakPolarHBondContact O-CB 3.39Å; S143-R147 PolarHBondContact O-N 3.13Å | ||
| 144 | P | 79.6 | Confident | 78.4 | Confident | 79 Ų | 79 | 88 Ų | 88 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -56.6 | -40.4 | 175.2 | -24 | 34.4 | 0 | 0 | 0 | 113.1 | R147 E148 | P144-R147 PolarHBondContact O-N 2.66Å; P144-E148 PolarHBondContact O-N 3.05Å |
| 145 | E | 81.4 | Confident | 80 | Confident | 118 Ų | 118 | 90.9 Ų | 90.9 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -72.4 | -32.4 | -177.4 | -48.6 | 69.9 | -148 | 0 | 0 | 111.5 | S143 R149 | S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 WeakPolarHBondContact CB-OE2 3.36Å; S143-E145 PolarHBondContact O-N 2.85Å; S143-E145 PolarHBondContact OG-N 3.35Å; S143-E145 PolarHBondContact OG-OE2 2.91Å; E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 3.3Å; E145-R149 VanDerWaalsContact O-N 3.13Å; E145-R149 PolarHBondContact O-NE 2.97Å |
| 146 | E | 81.1 | Confident | 81.3 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.5 | -44 | 171.5 | -172 | 134.9 | -96.5 | 0 | 0 | 112.1 | S143 E148 R149 I150 | S143-E146 PolarHBondContact O-N 3.17Å; S143-E146 PolarHBondContact OG-N 2.92Å; E146-E148 VanDerWaalsContact C-N 3.27Å; E146-E148 PolarHBondContact O-N 2.96Å; E146-R149 WeakPolarHBondContact O-CB 3.43Å; E146-R149 PolarHBondContact O-N 2.82Å; E146-R149 VanDerWaalsContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 3.78Å; E146-R149 IonicContact OE1-NH1 2.66Å; E146-R149 PolarHBondContact OE1-NH1 3.29Å; E146-R149 IonicContact OE1-NH2 3.2Å; E146-R149 PolarHBondContact OE1-NH2 3.47Å; E146-I150 HydrophobicContact CG-CD1 3.97Å; E146-I150 WeakPolarHBondContact O-CG1 3.43Å; E146-I150 PolarHBondContact O-N 2.86Å |
| 147 | R | 85.3 | Confident | 82.4 | Confident | 65 Ų | 65 | 93 Ų | 93 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 173.7 | -174.5 | 177.7 | -60.2 | 111.5 | 18.9 | 111 | L139 M140 S142 S143 P144 I150 I151 | L139-R147 HydrophobicContact CD1-CB 4.24Å; L139-R147 HydrophobicContact CD1-CG 3.91Å; L139-R147 HydrophobicContact CG-CG 4.34Å; L139-R147 VanDerWaalsContact O-CZ 3.25Å; L139-R147 PolarHBondContact O-NE 3.46Å; L139-R147 PolarHBondContact O-NH2 3.28Å; M140-R147 PolarHBondContact O-NH2 2.9Å; S142-R147 PolarHBondContact O-NH2 3.42Å; S143-R147 WeakPolarHBondContact O-CB 3.39Å; S143-R147 PolarHBondContact O-N 3.13Å; P144-R147 PolarHBondContact O-N 2.66Å; R147-I150 PolarHBondContact O-N 3.18Å; R147-I151 HydrophobicContact CG-CD1 3.83Å; R147-I151 WeakPolarHBondContact O-CB 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.21Å; R147-I151 PolarHBondContact O-N 2.96Å |
| 148 | E | 85.8 | Confident | 83.9 | Confident | 109 Ų | 109 | 94.2 Ų | 94.2 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 172.4 | -89.4 | -157.5 | -151.1 | 0 | 0 | 113.4 | P144 E146 I151 K152 | P144-E148 PolarHBondContact O-N 3.05Å; E146-E148 VanDerWaalsContact C-N 3.27Å; E146-E148 PolarHBondContact O-N 2.96Å; E148-I151 PolarHBondContact O-N 2.91Å; E148-K152 WeakPolarHBondContact O-CB 3.39Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å; E148-K152 VanDerWaalsContact O-CG 3.24Å; E148-K152 WeakPolarHBondContact O-CG 3.38Å; E148-K152 PolarHBondContact O-N 3.3Å; E148-K152 WeakPolarHBondContact OE2-CE 3.34Å; E148-K152 IonicContact OE2-NZ 3.35Å; E148-K152 PolarHBondContact OE2-NZ 3.07Å |
| 149 | R | 87.6 | Confident | 85 | Confident | 137 Ų | 137 | 95.4 Ų | 95.4 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 176.3 | -77.8 | -178.5 | -76.9 | 118.8 | -8.2 | 111.3 | E145 E146 K152 Q153 | E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 3.3Å; E145-R149 VanDerWaalsContact O-N 3.13Å; E145-R149 PolarHBondContact O-NE 2.97Å; E146-R149 WeakPolarHBondContact O-CB 3.43Å; E146-R149 PolarHBondContact O-N 2.82Å; E146-R149 VanDerWaalsContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 3.78Å; E146-R149 IonicContact OE1-NH1 2.66Å; E146-R149 PolarHBondContact OE1-NH1 3.29Å; E146-R149 IonicContact OE1-NH2 3.2Å; E146-R149 PolarHBondContact OE1-NH2 3.47Å; R149-K152 PolarHBondContact O-N 3.39Å; R149-Q153 PolarHBondContact O-N 3.37Å |
| 150 | I | 85.5 | Confident | 86.4 | Confident | 52 Ų | 52 | 98 Ų | 98 | 27% | 0.267 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 179.2 | -63.6 | 164.3 | 0 | 0 | 0 | 110.9 | L139 E146 R147 K152 Q153 L154 | L139-I150 HydrophobicContact CD1-CB 3.94Å; L139-I150 HydrophobicContact CD1-CD1 3.72Å; L139-I150 HydrophobicContact CD1-CG1 4.44Å; L139-I150 HydrophobicContact CD1-CG2 3.85Å; E146-I150 HydrophobicContact CG-CD1 3.97Å; E146-I150 WeakPolarHBondContact O-CG1 3.43Å; E146-I150 PolarHBondContact O-N 2.86Å; R147-I150 PolarHBondContact O-N 3.18Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.09Å; I150-Q153 PolarHBondContact O-N 2.89Å; I150-L154 HydrophobicContact CG2-CD1 3.88Å; I150-L154 HydrophobicContact CG2-CG 4.31Å; I150-L154 WeakPolarHBondContact O-CB 3.47Å; I150-L154 WeakPolarHBondContact O-CG 3.39Å; I150-L154 PolarHBondContact O-N 2.85Å |
| 151 | I | 89.4 | Confident | 87.6 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 35% | 0.349 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 175.6 | -71.8 | 168.6 | 0 | 0 | 0 | 111.7 | R147 E148 K155 | R147-I151 HydrophobicContact CG-CD1 3.83Å; R147-I151 WeakPolarHBondContact O-CB 3.31Å; R147-I151 WeakPolarHBondContact O-CG1 3.21Å; R147-I151 PolarHBondContact O-N 2.96Å; E148-I151 PolarHBondContact O-N 2.91Å; I151-K155 HydrophobicContact CG2-CD 4.1Å; I151-K155 WeakPolarHBondContact O-CB 3.42Å; I151-K155 VanDerWaalsContact O-CG 3.28Å; I151-K155 WeakPolarHBondContact O-CG 3.27Å; I151-K155 PolarHBondContact O-N 3.5Å |
| 152 | K | 93.2 | Very high | 88.6 | Confident | 125 Ų | 125 | 93.4 Ų | 93.4 | 54% | 0.543 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 175.3 | -74.1 | 162.5 | -172.5 | 163.5 | 0 | 111.3 | E148 R149 I150 K155 E156 | E148-K152 WeakPolarHBondContact O-CB 3.39Å; E148-K152 WeakPolarHBondContact O-CD 3.35Å; E148-K152 VanDerWaalsContact O-CG 3.24Å; E148-K152 WeakPolarHBondContact O-CG 3.38Å; E148-K152 PolarHBondContact O-N 3.3Å; E148-K152 WeakPolarHBondContact OE2-CE 3.34Å; E148-K152 IonicContact OE2-NZ 3.35Å; E148-K152 PolarHBondContact OE2-NZ 3.07Å; R149-K152 PolarHBondContact O-N 3.39Å; I150-K152 VanDerWaalsContact C-N 3.34Å; I150-K152 PolarHBondContact O-N 3.09Å; K152-K155 PolarHBondContact O-N 3.41Å; K152-E156 PolarHBondContact O-N 3.38Å |
| 153 | Q | 92.3 | Very high | 89.5 | Confident | 144 Ų | 144 | 95.2 Ų | 95.2 | 67% | 0.673 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.3 | -48.7 | 175.7 | -176 | 176.9 | -6.1 | 0 | 0 | 112.2 | R149 I150 K155 E156 E157 | R149-Q153 PolarHBondContact O-N 3.37Å; I150-Q153 PolarHBondContact O-N 2.89Å; Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 2.66Å; Q153-E156 PolarHBondContact O-N 3.2Å; Q153-E157 PolarHBondContact O-N 3.31Å |
| 154 | L | 93.4 | Very high | 90.1 | Very high | 67 Ų | 67 | 97.8 Ų | 97.8 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -30.4 | 179.2 | -69.5 | 172.6 | 0 | 0 | 0 | 113 | F131 I150 L158 | F131-L154 HydrophobicContact CE2-CD2 3.85Å; F131-L154 HydrophobicContact CZ-CD1 4.07Å; F131-L154 HydrophobicContact CZ-CD2 3.92Å; I150-L154 HydrophobicContact CG2-CD1 3.88Å; I150-L154 HydrophobicContact CG2-CG 4.31Å; I150-L154 WeakPolarHBondContact O-CB 3.47Å; I150-L154 WeakPolarHBondContact O-CG 3.39Å; I150-L154 PolarHBondContact O-N 2.85Å; L154-L158 WeakPolarHBondContact O-CB 3.22Å; L154-L158 PolarHBondContact O-N 2.96Å |
| 155 | K | 88.2 | Confident | 90.9 | Very high | 143 Ų | 143 | 99.5 Ų | 99.5 | 62% | 0.622 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -69.1 | -39.5 | 174.3 | -79.3 | 175.5 | 177.1 | -177.7 | 0 | 113 | I151 K152 Q153 R159 | I151-K155 HydrophobicContact CG2-CD 4.1Å; I151-K155 WeakPolarHBondContact O-CB 3.42Å; I151-K155 VanDerWaalsContact O-CG 3.28Å; I151-K155 WeakPolarHBondContact O-CG 3.27Å; I151-K155 PolarHBondContact O-N 3.5Å; K152-K155 PolarHBondContact O-N 3.41Å; Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 2.66Å; K155-R159 WeakPolarHBondContact O-CB 3.46Å; K155-R159 PolarHBondContact O-N 3.04Å; K155-R159 VanDerWaalsContact O-N 3.08Å |
| 156 | E | 92.7 | Very high | 91.7 | Very high | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74.2 | -36.7 | 176 | -171.1 | 59.4 | -162.1 | 0 | 0 | 111.6 | K152 Q153 L158 R159 L160 | K152-E156 PolarHBondContact O-N 3.38Å; Q153-E156 PolarHBondContact O-N 3.2Å; E156-L158 PolarHBondContact O-N 3.39Å; E156-R159 VanDerWaalsContact CD-NE 3.29Å; E156-R159 WeakPolarHBondContact O-CB 3.31Å; E156-R159 PolarHBondContact O-N 2.67Å; E156-R159 VanDerWaalsContact O-N 3.15Å; E156-R159 IonicContact OE1-CZ 3.89Å; E156-R159 VanDerWaalsContact OE1-CZ 3.27Å; E156-R159 IonicContact OE1-NE 3.72Å; E156-R159 PolarHBondContact OE1-NE 3.36Å; E156-R159 IonicContact OE1-NH2 2.82Å; E156-R159 PolarHBondContact OE1-NH2 3.16Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 3.15Å; E156-R159 PolarHBondContact OE2-NE 3.21Å; E156-R159 IonicContact OE2-NH2 3.43Å; E156-L160 WeakPolarHBondContact O-CG 3.32Å; E156-L160 PolarHBondContact O-N 2.97Å |
| 157 | E | 91.9 | Very high | 92.4 | Very high | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 172.5 | -175.5 | 55.6 | -142.6 | 0 | 0 | 111.5 | Q153 R159 L160 Q161 | Q153-E157 PolarHBondContact O-N 3.31Å; E157-R159 VanDerWaalsContact C-N 3.32Å; E157-R159 PolarHBondContact O-N 3.48Å; E157-L160 PolarHBondContact O-N 3.19Å; E157-Q161 WeakPolarHBondContact O-CG 3.38Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 PolarHBondContact OE1-NE2 2.88Å |
| 158 | L | 96.7 | Very high | 92.9 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57 | -46 | 171.9 | 178.7 | 61.7 | 0 | 0 | 0 | 111.3 | L154 E156 L160 Q161 E162 | L154-L158 WeakPolarHBondContact O-CB 3.22Å; L154-L158 PolarHBondContact O-N 2.96Å; E156-L158 PolarHBondContact O-N 3.39Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.36Å; L158-Q161 PolarHBondContact O-N 2.81Å; L158-E162 HydrophobicContact CD1-CG 4.29Å; L158-E162 HydrophobicContact CG-CG 4.44Å; L158-E162 WeakPolarHBondContact O-CB 3.5Å; L158-E162 WeakPolarHBondContact O-CG 3.48Å; L158-E162 PolarHBondContact O-N 3Å |
| 159 | R | 93.9 | Very high | 93.4 | Very high | 149 Ų | 149 | 104 Ų | 104 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.4 | -35.5 | 178.2 | -158.1 | -179.6 | 77.2 | 89.9 | 5 | 112.6 | K155 E156 E157 A163 | K155-R159 WeakPolarHBondContact O-CB 3.46Å; K155-R159 PolarHBondContact O-N 3.04Å; K155-R159 VanDerWaalsContact O-N 3.08Å; E156-R159 VanDerWaalsContact CD-NE 3.29Å; E156-R159 WeakPolarHBondContact O-CB 3.31Å; E156-R159 PolarHBondContact O-N 2.67Å; E156-R159 VanDerWaalsContact O-N 3.15Å; E156-R159 IonicContact OE1-CZ 3.89Å; E156-R159 VanDerWaalsContact OE1-CZ 3.27Å; E156-R159 IonicContact OE1-NE 3.72Å; E156-R159 PolarHBondContact OE1-NE 3.36Å; E156-R159 IonicContact OE1-NH2 2.82Å; E156-R159 PolarHBondContact OE1-NH2 3.16Å; E156-R159 IonicContact OE2-CZ 2.75Å; E156-R159 IonicContact OE2-NE 3.15Å; E156-R159 PolarHBondContact OE2-NE 3.21Å; E156-R159 IonicContact OE2-NH2 3.43Å; E157-R159 VanDerWaalsContact C-N 3.32Å; E157-R159 PolarHBondContact O-N 3.48Å; R159-A163 WeakPolarHBondContact O-CB 3.29Å; R159-A163 PolarHBondContact O-N 3.03Å |
| 160 | L | 95 | Very high | 93.6 | Very high | 91 Ų | 91 | 104.3 Ų | 104.3 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 174.7 | -71.4 | 168.8 | 0 | 0 | 0 | 112 | E156 E157 L158 A163 K164 | E156-L160 WeakPolarHBondContact O-CG 3.32Å; E156-L160 PolarHBondContact O-N 2.97Å; E157-L160 PolarHBondContact O-N 3.19Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.36Å; L160-A163 PolarHBondContact O-N 3.19Å; L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 2.71Å |
| 161 | Q | 95.3 | Very high | 94 | Very high | 88 Ų | 88 | 106.4 Ų | 106.4 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | 175.5 | -62.4 | -62.6 | -22.3 | 0 | 0 | 111.7 | E157 L158 K164 L165 | E157-Q161 WeakPolarHBondContact O-CG 3.38Å; E157-Q161 PolarHBondContact O-N 2.87Å; E157-Q161 PolarHBondContact OE1-NE2 2.88Å; L158-Q161 PolarHBondContact O-N 2.81Å; Q161-K164 PolarHBondContact O-N 3.43Å; Q161-L165 VanDerWaalsContact O-CB 3.31Å; Q161-L165 WeakPolarHBondContact O-CB 3.33Å; Q161-L165 PolarHBondContact O-N 3.45Å |
| 162 | E | 94.3 | Very high | 94.1 | Very high | 109 Ų | 109 | 111.7 Ų | 111.7 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 171.7 | -76.3 | 179.5 | 165.7 | 0 | 0 | 111.7 | L158 K164 L165 V166 | L158-E162 HydrophobicContact CD1-CG 4.29Å; L158-E162 HydrophobicContact CG-CG 4.44Å; L158-E162 WeakPolarHBondContact O-CB 3.5Å; L158-E162 WeakPolarHBondContact O-CG 3.48Å; L158-E162 PolarHBondContact O-N 3Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 2.75Å; E162-L165 PolarHBondContact O-N 2.83Å; E162-V166 WeakPolarHBondContact O-CG2 3.15Å; E162-V166 PolarHBondContact O-N 3Å |
| 163 | A | 93.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 111.1 Ų | 111.1 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R159 L160 V166 L167 | R159-A163 WeakPolarHBondContact O-CB 3.29Å; R159-A163 PolarHBondContact O-N 3.03Å; L160-A163 PolarHBondContact O-N 3.19Å; A163-V166 PolarHBondContact O-N 3.38Å; A163-L167 WeakPolarHBondContact O-CB 3.33Å; A163-L167 PolarHBondContact O-N 3.35Å |
| 164 | K | 96.4 | Very high | 93.8 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 173.7 | -179.6 | -176.2 | 175.4 | -172.1 | 0 | 111.8 | L160 Q161 E162 L167 L168 | L160-K164 WeakPolarHBondContact O-CB 3.43Å; L160-K164 PolarHBondContact O-N 2.71Å; Q161-K164 PolarHBondContact O-N 3.43Å; E162-K164 VanDerWaalsContact C-N 3.34Å; E162-K164 PolarHBondContact O-N 2.75Å; K164-L167 PolarHBondContact O-N 3.43Å; K164-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 2.98Å |
| 165 | L | 96.3 | Very high | 93.3 | Very high | 115 Ų | 115 | 108.8 Ų | 108.8 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.4 | -39 | 178.3 | -158.1 | 160.5 | 0 | 0 | 0 | 111.3 | Q161 E162 L168 K169 | Q161-L165 VanDerWaalsContact O-CB 3.31Å; Q161-L165 WeakPolarHBondContact O-CB 3.33Å; Q161-L165 PolarHBondContact O-N 3.45Å; E162-L165 PolarHBondContact O-N 2.83Å; L165-L168 PolarHBondContact O-N 2.89Å; L165-K169 VanDerWaalsContact O-CB 3.3Å; L165-K169 WeakPolarHBondContact O-CB 3.46Å; L165-K169 PolarHBondContact O-N 3.21Å |
| 166 | V | 96.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 106.3 Ų | 106.3 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 171 | 169 | 0 | 0 | 0 | 0 | 111.7 | E162 A163 K169 K170 | E162-V166 WeakPolarHBondContact O-CG2 3.15Å; E162-V166 PolarHBondContact O-N 3Å; A163-V166 PolarHBondContact O-N 3.38Å; V166-K169 PolarHBondContact O-N 3.39Å; V166-K170 PolarHBondContact O-N 3.4Å |
| 167 | L | 95.9 | Very high | 91.8 | Very high | 122 Ų | 122 | 107.9 Ų | 107.9 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -46.1 | 176 | -177.9 | 62.2 | 0 | 0 | 0 | 111.7 | A163 K164 K169 K170 L171 | A163-L167 WeakPolarHBondContact O-CB 3.33Å; A163-L167 PolarHBondContact O-N 3.35Å; K164-L167 PolarHBondContact O-N 3.43Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.49Å; L167-K170 PolarHBondContact O-N 2.84Å; L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 PolarHBondContact O-N 3.43Å |
| 168 | L | 96.4 | Very high | 90.6 | Very high | 100 Ų | 100 | 110.8 Ų | 110.8 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 175 | -71.3 | 168.9 | 0 | 0 | 0 | 112 | K164 L165 L171 R172 | K164-L168 HydrophobicContact CG-CD1 4.32Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 2.98Å; L165-L168 PolarHBondContact O-N 2.89Å; L168-L171 PolarHBondContact O-N 3.48Å; L168-R172 WeakPolarHBondContact O-CB 3.18Å; L168-R172 PolarHBondContact O-N 3.42Å |
| 169 | K | 95.4 | Very high | 88.7 | Confident | 155 Ų | 155 | 112.1 Ų | 112.1 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 175.1 | -172.1 | 172.3 | -178.2 | 174.5 | 0 | 111.8 | L165 V166 L167 Q173 | L165-K169 VanDerWaalsContact O-CB 3.3Å; L165-K169 WeakPolarHBondContact O-CB 3.46Å; L165-K169 PolarHBondContact O-N 3.21Å; V166-K169 PolarHBondContact O-N 3.39Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.49Å; K169-Q173 WeakPolarHBondContact O-CB 3.39Å; K169-Q173 PolarHBondContact O-N 3.09Å |
| 170 | K | 93.7 | Very high | 86.9 | Confident | 142 Ų | 142 | 108.4 Ų | 108.4 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -40.2 | 172.4 | -82.4 | -168.6 | 172.4 | -174.3 | 0 | 112.8 | V166 L167 Q173 S174 | V166-K170 PolarHBondContact O-N 3.4Å; L167-K170 PolarHBondContact O-N 2.84Å; K170-Q173 PolarHBondContact O-N 3.23Å; K170-S174 WeakPolarHBondContact O-CB 3.43Å; K170-S174 PolarHBondContact O-N 3.28Å |
| 171 | L | 93.3 | Very high | 85 | Confident | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 177.1 | -177 | 62.5 | 0 | 0 | 0 | 111.2 | L167 L168 Q173 S174 Q175 | L167-L171 WeakPolarHBondContact O-CB 3.37Å; L167-L171 PolarHBondContact O-N 3.43Å; L168-L171 PolarHBondContact O-N 3.48Å; L171-Q173 PolarHBondContact O-N 3.2Å; L171-S174 WeakPolarHBondContact O-CB 3.11Å; L171-S174 PolarHBondContact O-N 3.04Å; L171-Q175 PolarHBondContact O-N 2.87Å |
| 172 | R | 90.9 | Very high | 82.9 | Confident | 178 Ų | 178 | 109.4 Ų | 109.4 | 67% | 0.672 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.7 | -41.9 | 175.3 | -170.2 | 178.6 | -178.5 | -169.8 | 0.5 | 111.8 | L168 S174 Q175 I176 | L168-R172 WeakPolarHBondContact O-CB 3.18Å; L168-R172 PolarHBondContact O-N 3.42Å; R172-S174 VanDerWaalsContact C-N 3.33Å; R172-S174 PolarHBondContact O-N 2.82Å; R172-Q175 PolarHBondContact O-N 3.22Å; R172-I176 HydrophobicContact CG-CD1 3.94Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.27Å; R172-I176 PolarHBondContact O-N 2.85Å |
| 173 | Q | 89.9 | Confident | 80.8 | Confident | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -39.2 | 174.4 | -177.8 | 171.8 | 60.9 | 0 | 0 | 112.2 | K169 K170 L171 I176 Q177 | K169-Q173 WeakPolarHBondContact O-CB 3.39Å; K169-Q173 PolarHBondContact O-N 3.09Å; K170-Q173 PolarHBondContact O-N 3.23Å; L171-Q173 PolarHBondContact O-N 3.2Å; Q173-I176 PolarHBondContact O-N 3.1Å; Q173-Q177 WeakPolarHBondContact O-CB 3.39Å; Q173-Q177 WeakPolarHBondContact O-CG 3.23Å; Q173-Q177 PolarHBondContact O-N 2.97Å |
| 174 | S | 89.3 | Confident | 78.4 | Confident | 51 Ų | 51 | 117.3 Ų | 117.3 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.6 | -36.7 | 177.1 | -172 | 0 | 0 | 0 | 0 | 112.8 | K170 L171 R172 K178 | K170-S174 WeakPolarHBondContact O-CB 3.43Å; K170-S174 PolarHBondContact O-N 3.28Å; L171-S174 WeakPolarHBondContact O-CB 3.11Å; L171-S174 PolarHBondContact O-N 3.04Å; R172-S174 VanDerWaalsContact C-N 3.33Å; R172-S174 PolarHBondContact O-N 2.82Å; S174-K178 WeakPolarHBondContact O-CG 3.38Å; S174-K178 PolarHBondContact O-N 3.48Å; S174-K178 VanDerWaalsContact O-N 3.12Å |
| 175 | Q | 83.9 | Confident | 76.1 | Confident | 110 Ų | 110 | 118.3 Ų | 118.3 | 51% | 0.514 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.4 | -51.7 | 172.4 | -72.6 | 172.4 | -24.9 | 0 | 0 | 111.1 | L171 R172 Q177 K178 E179 | L171-Q175 PolarHBondContact O-N 2.87Å; R172-Q175 PolarHBondContact O-N 3.22Å; Q175-Q177 VanDerWaalsContact C-N 3.32Å; Q175-Q177 PolarHBondContact O-N 3.42Å; Q175-K178 WeakPolarHBondContact O-CB 3.4Å; Q175-K178 PolarHBondContact O-N 3.34Å; Q175-E179 PolarHBondContact O-N 2.85Å |
| 176 | I | 79.3 | Confident | 73.6 | Confident | 92 Ų | 92 | 117.4 Ų | 117.4 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.6 | -38.4 | -179.3 | -64.8 | 165 | 0 | 0 | 0 | 111.8 | R172 Q173 E179 S180 | R172-I176 HydrophobicContact CG-CD1 3.94Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.27Å; R172-I176 PolarHBondContact O-N 2.85Å; Q173-I176 PolarHBondContact O-N 3.1Å; I176-E179 PolarHBondContact O-N 3.29Å; I176-S180 PolarHBondContact O-N 2.86Å; I176-S180 PolarHBondContact O-OG 3.49Å |
| 177 | Q | 68.6 | Low | 70.8 | Confident | 114 Ų | 114 | 118.3 Ų | 118.3 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -32.4 | 174.3 | -77.9 | -179.2 | -23.5 | 0 | 0 | 113.1 | Q173 Q175 S180 T181 | Q173-Q177 WeakPolarHBondContact O-CB 3.39Å; Q173-Q177 WeakPolarHBondContact O-CG 3.23Å; Q173-Q177 PolarHBondContact O-N 2.97Å; Q175-Q177 VanDerWaalsContact C-N 3.32Å; Q175-Q177 PolarHBondContact O-N 3.42Å; Q177-S180 PolarHBondContact O-OG 3.28Å; Q177-T181 PolarHBondContact O-N 3.14Å; Q177-T181 PolarHBondContact O-OG1 3.39Å |
| 178 | K | 67.2 | Low | 68.3 | Low | 148 Ų | 148 | 122.3 Ų | 122.3 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.8 | -41.2 | 174.1 | -76.2 | 175.4 | 177.4 | -175.6 | 0 | 111.5 | S174 Q175 T181 V182 | S174-K178 WeakPolarHBondContact O-CG 3.38Å; S174-K178 PolarHBondContact O-N 3.48Å; S174-K178 VanDerWaalsContact O-N 3.12Å; Q175-K178 WeakPolarHBondContact O-CB 3.4Å; Q175-K178 PolarHBondContact O-N 3.34Å; K178-T181 PolarHBondContact O-N 3.32Å; K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 2.9Å |
| 179 | E | 56.9 | Low | 65.3 | Low | 130 Ų | 130 | 122.4 Ų | 122.4 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.7 | -41.7 | 177.4 | -70.7 | -176.2 | 100.1 | 0 | 0 | 112.9 | Q175 I176 T181 V182 Q183 | Q175-E179 PolarHBondContact O-N 2.85Å; I176-E179 PolarHBondContact O-N 3.29Å; E179-T181 VanDerWaalsContact C-N 3.26Å; E179-T181 PolarHBondContact O-N 2.86Å; E179-V182 PolarHBondContact O-N 3.49Å; E179-Q183 PolarHBondContact O-N 2.94Å; E179-Q183 VanDerWaalsContact O-N 3.08Å |
| 180 | S | 56.8 | Low | 62.5 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 50% | 0.497 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.3 | -25.8 | 179 | 73 | 0 | 0 | 0 | 0 | 113.3 | I176 Q177 | I176-S180 PolarHBondContact O-N 2.86Å; I176-S180 PolarHBondContact O-OG 3.49Å; Q177-S180 PolarHBondContact O-OG 3.28Å |
| 181 | T | 53.3 | Low | 59.8 | Low | 102 Ų | 102 | 117.9 Ų | 117.9 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.4 | -36.2 | 169.3 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | Q177 K178 E179 | Q177-T181 PolarHBondContact O-N 3.14Å; Q177-T181 PolarHBondContact O-OG1 3.39Å; K178-T181 PolarHBondContact O-N 3.32Å; E179-T181 VanDerWaalsContact C-N 3.26Å; E179-T181 PolarHBondContact O-N 2.86Å |
| 182 | V | 51.2 | Low | 56.9 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 59% | 0.594 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.4 | -41.9 | 179.4 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | K178 E179 K184 V185 | K178-V182 WeakPolarHBondContact O-CG2 3.5Å; K178-V182 PolarHBondContact O-N 2.9Å; E179-V182 PolarHBondContact O-N 3.49Å; V182-K184 PolarHBondContact O-N 2.83Å; V182-K184 VanDerWaalsContact O-N 3.1Å; V182-V185 PolarHBondContact O-N 3.49Å; V182-V185 VanDerWaalsContact O-N 3.16Å |
| 183 | Q | 50.9 | Low | 54.4 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.6 | -22.1 | -178.1 | -74 | -170.2 | -20.2 | 0 | 0 | 114.2 | E179 V185 | E179-Q183 PolarHBondContact O-N 2.94Å; E179-Q183 VanDerWaalsContact O-N 3.08Å; Q183-V185 PolarHBondContact O-N 3.24Å |
| 184 | K | 43.8 | Very low | 52.2 | Low | 181 Ų | 181 | 115.4 Ų | 115.4 | 79% | 0.787 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 3.7 | 179 | -155.5 | 172.4 | 178 | 179.8 | 0 | 114.4 | V182 | V182-K184 PolarHBondContact O-N 2.83Å; V182-K184 VanDerWaalsContact O-N 3.1Å |
| 185 | V | 47.7 | Very low | 49.5 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -20.8 | 179.6 | -168.4 | 0 | 0 | 0 | 0 | 113.1 | V182 Q183 | V182-V185 PolarHBondContact O-N 3.49Å; V182-V185 VanDerWaalsContact O-N 3.16Å; Q183-V185 PolarHBondContact O-N 3.24Å |
| 186 | S | 43.9 | Very low | 48.1 | Very low | 96 Ų | 96 | 120.2 Ų | 120.2 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -91.7 | 0.4 | -170.4 | -56 | 0 | 0 | 0 | 0 | 116.1 | K188 | S186-K188 PolarHBondContact O-N 3.45Å; S186-K188 VanDerWaalsContact O-N 3.07Å | ||
| 187 | S | 38.4 | Very low | 46.4 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 35.2 | -175.3 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 188 | K | 43.6 | Very low | 45.4 | Very low | 206 Ų | 206 | 122.3 Ų | 122.3 | 90% | 0.896 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.9 | 49.1 | 175 | -127.1 | 172.4 | -170.6 | -178.9 | 0 | 117.4 | S186 | S186-K188 PolarHBondContact O-N 3.45Å; S186-K188 VanDerWaalsContact O-N 3.07Å |
| 189 | A | 33.6 | Very low | 44.2 | Very low | 101 Ų | 101 | 123 Ų | 123 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | -153.2 | 141 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 190 | S | 37.2 | Very low | 43.2 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -127.2 | 138.8 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 191 | G | 36.3 | Very low | 42.1 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 91.8 | 99.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 192 | S | 33.1 | Very low | 40.9 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | -173.9 | 150.2 | 101.7 | -161.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 193 | V | 37.8 | Very low | 40 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -13.5 | 144.7 | 171.4 | -177.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 194 | A | 42.5 | Very low | 39.5 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -71.2 | 157.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 195 | T | 33.3 | Very low | 39 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -168.3 | 140.7 | 137.6 | 10.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 196 | P | 54.3 | Low | 38.3 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -108.5 | 145.8 | 173.5 | 37.4 | -30.4 | 0 | 0 | 0 | 113.5 | ||||
| 197 | P | 45 | Very low | 37.8 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -108.8 | 161.4 | 159.9 | 21.7 | -4.1 | 0 | 0 | 0 | 113 | ||||
| 198 | P | 47.3 | Very low | 37.6 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -114.2 | -174.7 | -153.2 | 42.6 | -34.8 | 0 | 0 | 0 | 116.3 | ||||
| 199 | L | 42.1 | Very low | 37.2 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -62.8 | 179.6 | 167.4 | -63.3 | 164.5 | 0 | 0 | 0 | 113.2 | ||||
| 200 | V | 35.4 | Very low | 37.8 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | 116 | 106.3 | 151 | -179.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 201 | R | 33 | Very low | 37.5 | Very low | 239 Ų | 239 | 130.2 Ų | 130.2 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | 50.4 | 118.2 | 129.1 | -150.9 | -177 | -140.6 | 150 | 0.8 | 118.8 | |||||
| 202 | G | 29.3 | Very low | 37.4 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -87.7 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 203 | S | 31.2 | Very low | 37.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -151.4 | 148.4 | 167.4 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 204 | M | 40.3 | Very low | 36.7 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -66.9 | 147.3 | 173.7 | 42.6 | -83 | 160.3 | 0 | 0 | 114.2 | ||||
| 205 | T | 33 | Very low | 36.1 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | -140.1 | 168.8 | 148.4 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 206 | S | 34.5 | Very low | 36.3 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -141 | 143 | -166.4 | 174.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 207 | S | 33.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -153.1 | 162.1 | 161.1 | 60 | 0 | 0 | 0 | 0 | 111 | ||||
| 208 | K | 34.2 | Very low | 35.1 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | trans | -117.1 | 156.1 | -166.1 | -54.3 | 165.9 | -177.8 | 171.5 | 0 | 110.9 | ||||
| 209 | G | 33.2 | Very low | 34.3 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | 161.8 | 124.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 210 | P | 47 | Very low | 34.1 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -131.6 | 179.1 | -163.3 | 43.6 | -29.2 | 0 | 0 | 0 | 117.5 | ||||
| 211 | L | 31.7 | Very low | 33.8 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | 92.8 | 150.8 | 156.2 | -62.3 | 167.8 | 0 | 0 | 0 | 120.6 | ||||
| 212 | Q | 33.2 | Very low | 34.1 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 79.8 | 153.8 | 160.2 | -54.6 | -141.9 | 51.2 | 0 | 0 | 119.8 | ||||
| 213 | V | 28.5 | Very low | 35.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | cis | -165.3 | 143.7 | -48.1 | 116.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | T | 28.8 | Very low | 36.9 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | 30.5 | 127 | 155 | -48.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 215 | G | 29.9 | Very low | 37.9 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 116.4 | 166 | 141.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 216 | R | 37.2 | Very low | 38 | Very low | 230 Ų | 230 | 131.3 Ų | 131.3 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | cis | -170.1 | 154.7 | -28.3 | -118.3 | 178.7 | 91.9 | -174.2 | 6.3 | 108.7 | ||||
| 217 | S | 36.4 | Very low | 38.3 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 57.8 | 113.2 | 158.8 | 48.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 218 | S | 36.5 | Very low | 38.7 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | 30.4 | 134.2 | 122.7 | -44 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 219 | G | 31.2 | Very low | 38.7 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -172.7 | 138.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 220 | T | 37 | Very low | 38.7 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -116.4 | 151.9 | -172.6 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 221 | V | 30.3 | Very low | 38 | Very low | 135 Ų | 135 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 169.4 | 150.9 | 138 | 151.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | I | 39.4 | Very low | 38 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -154.2 | 160.3 | -172.4 | -69 | 176.5 | 0 | 0 | 0 | 106.6 | ||||
| 223 | P | 60.4 | Low | 37.9 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -114.3 | -129.8 | -7.6 | 24.8 | 2.2 | 0 | 0 | 0 | 109.5 | ||||
| 224 | P | 58.3 | Low | 38.8 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | cis | -136.3 | -137.8 | -11.3 | 52 | -30.8 | 0 | 0 | 0 | 113.8 | ||||
| 225 | P | 61.8 | Low | 39 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -136.8 | -171.5 | -142.8 | 40.4 | -15.4 | 0 | 0 | 0 | 118.1 | ||||
| 226 | L | 35.5 | Very low | 39 | Very low | 173 Ų | 173 | 138 Ų | 138 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -162.8 | 168.9 | 150 | -108.3 | 175.6 | 0 | 0 | 0 | 112.5 | ||||
| 227 | V | 40.1 | Very low | 39 | Very low | 129 Ų | 129 | 135 Ų | 135 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -142.6 | 141.9 | -159.3 | 175.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 228 | R | 42.3 | Very low | 38.7 | Very low | 252 Ų | 252 | 135.8 Ų | 135.8 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -173.8 | 168.1 | 155.4 | -108.3 | 166.6 | 175.2 | 134.3 | -1.4 | 111.5 | ||||
| 229 | G | 34.3 | Very low | 38.9 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | cis | -171.1 | -22.6 | -2.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 230 | G | 34.1 | Very low | 39.1 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 124.3 | 179 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 231 | Q | 31.7 | Very low | 38.9 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | cis | -164.8 | 160.4 | -4.1 | -170.1 | 172.5 | 75.3 | 0 | 0 | 112.1 | ||||
| 232 | H | 30.9 | Very low | 39.2 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 87.9 | 166.9 | 159.7 | -138.9 | -101.4 | 0 | 0 | 0 | 122 | ||||
| 233 | V | 30.7 | Very low | 39 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -151.1 | -165.5 | -160.7 | -117.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 234 | P | 47.1 | Very low | 38 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -145.8 | 169 | 13.8 | 45 | -24.5 | 0 | 0 | 0 | 121 | ||||
| 235 | S | 34.1 | Very low | 37.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 56.8 | 124 | 139.6 | -163.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 236 | K | 30.3 | Very low | 36.4 | Very low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | -176.6 | 123 | 116.7 | -99 | 167.8 | -176.4 | 178.4 | 0 | 114.4 | |||||
| 237 | H | 37.4 | Very low | 36.7 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 35.5 | 130 | 138.4 | 165.1 | -74.5 | 0 | 0 | 0 | 120.5 | ||||
| 238 | N | 29.2 | Very low | 36.8 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | cis | -161.8 | 159.2 | 19.1 | -150.9 | -17 | 0 | 0 | 0 | 114.2 | ||||
| 239 | S | 41.8 | Very low | 36.2 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | 14 | 149.9 | 148 | -65.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 240 | Q | 34.3 | Very low | 36.4 | Very low | 174 Ų | 174 | 137 Ų | 137 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -164.6 | -174.9 | 7.5 | -123.8 | 171.9 | 36.8 | 0 | 0 | 113.9 | ||||
| 241 | I | 33.2 | Very low | 36.4 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | 81.6 | 74.6 | 167.9 | -37.3 | -177.3 | 0 | 0 | 0 | 117.6 | ||||
| 242 | V | 37 | Very low | 36.8 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -138.4 | 144.9 | 144.1 | 179.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 243 | M | 34.3 | Very low | 37 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 155 | -178.5 | -82.9 | -81.5 | 100.7 | 0 | 0 | 113.5 | ||
| 244 | P | 40.4 | Very low | 37.4 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 147.7 | -166.6 | -9.2 | 27.7 | 0 | 0 | 0 | 114.3 | ||
| 245 | P | 47.9 | Very low | 36.7 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 145.3 | 167.9 | 34.7 | -33 | 0 | 0 | 0 | 111.8 | ||
| 246 | L | 37 | Very low | 36.7 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -123.2 | 102.3 | 163.8 | -85.4 | 85.2 | 0 | 0 | 0 | 110 | ||||
| 247 | V | 43.8 | Very low | 36.8 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -138.5 | 116.3 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 248 | R | 40.8 | Very low | 36.7 | Very low | 234 Ų | 234 | 143.6 Ų | 143.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | 68.7 | 114.6 | 150.5 | -166.7 | -175.9 | -57.1 | 147.8 | 5.3 | 118.2 | ||||
| 249 | G | 29.9 | Very low | 37 | Very low | 83 Ų | 83 | 146 Ų | 146 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -147 | 125 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | A | 37.6 | Very low | 36.6 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -143.3 | 125.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 251 | Q | 34.8 | Very low | 36.5 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -175 | 177.7 | 136.5 | -108.1 | -175.4 | 7.5 | 0 | 0 | 112 | ||||
| 252 | Q | 40.3 | Very low | 36.5 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -69.7 | 160.1 | -179.7 | -54.1 | 128.9 | -88.9 | 0 | 0 | 112.2 | ||||
| 253 | I | 35.2 | Very low | 36.3 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | -175 | 151.1 | 121.6 | -95.1 | 155 | 0 | 0 | 0 | 108.9 | |||||
| 254 | A | 39.8 | Very low | 36.2 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -114.1 | 161.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 255 | S | 31.7 | Very low | 36 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | 85.6 | 130 | -167.6 | -39.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 256 | L | 33.9 | Very low | 35.4 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | cis | -161.3 | 118.4 | 45.5 | -178.6 | 74 | 0 | 0 | 0 | 112.3 | ||||
| 257 | R | 31.9 | Very low | 35.9 | Very low | 257 Ų | 257 | 139.5 Ų | 139.5 | 97% | 0.97 | 79% | 0.788 | S | S | * | * | trans | -148.1 | 129 | 140.4 | -128.3 | -176 | -176.3 | -163.6 | -1.4 | 110.6 | ||||
| 258 | Q | 36.9 | Very low | 36.1 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -124.6 | 120.5 | -169.6 | 172.1 | -170 | -5.4 | 0 | 0 | 109.3 | ||||
| 259 | H | 35.5 | Very low | 36.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | 169.5 | 135 | 155.1 | -99.5 | 74.7 | 0 | 0 | 0 | 104.6 | ||||
| 260 | Q | 32.4 | Very low | 36.7 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | S | Bend | cis | -160.4 | 138.5 | 12.1 | 169.6 | -177.7 | 63.7 | 0 | 0 | 106.5 | ||
| 261 | Q | 32.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 59% | 0.593 | 79% | 0.789 | S | S | * | * | cis | -158.2 | 179.8 | -3.1 | -122.7 | -69.9 | 65.6 | 0 | 0 | 110 | ||||
| 262 | H | 33.1 | Very low | 36.6 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | trans | 76.7 | 89.9 | 158.9 | -57.8 | 154.8 | 0 | 0 | 0 | 119.8 | ||||
| 263 | S | 32.6 | Very low | 36.1 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 51.2 | 127 | 113 | -50.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 264 | G | 31.7 | Very low | 36.2 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 143.2 | 109.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 265 | S | 36.3 | Very low | 36.1 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 97% | 0.972 | 80% | 0.803 | S | S | * | * | trans | -87.2 | 129.4 | 168.3 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 266 | G | 36.1 | Very low | 36 | Very low | 62 Ų | 62 | 143.2 Ų | 143.2 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | trans | -173.4 | 151.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 267 | P | 46.3 | Very low | 35.9 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73 | 160.9 | 173.3 | 32.3 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 268 | P | 49 | Very low | 36 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 137.2 | -179.9 | 27.1 | -35 | 0 | 0 | 0 | 111.9 | ||
| 269 | P | 42.8 | Very low | 36 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77 | 138.6 | -178.4 | 30.5 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 270 | L | 39.8 | Very low | 35.8 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -112 | 110.8 | 165.5 | -71.9 | 178.9 | 0 | 0 | 0 | 110.2 | ||||
| 271 | L | 36.8 | Very low | 35.8 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -150.9 | 130.1 | 176.6 | -78.2 | -179.5 | 0 | 0 | 0 | 105.1 | ||||
| 272 | L | 33.2 | Very low | 35.9 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | cis | -129.8 | 141.5 | 18.8 | -108.9 | 52.5 | 0 | 0 | 0 | 111.8 | ||||
| 273 | A | 31.5 | Very low | 35.9 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -154.1 | 149.8 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 274 | P | 35.7 | Very low | 35.9 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -72.2 | 163.5 | -169 | -21.4 | 35.6 | 0 | 0 | 0 | 115.8 | ||||
| 275 | R | 38.1 | Very low | 35.8 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -95.6 | 144.3 | -174.7 | -36.7 | -177.4 | 88.7 | 164.7 | 6.9 | 111.5 | ||||
| 276 | A | 30.4 | Very low | 35.7 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | -136.9 | 152.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 277 | S | 32.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -103.2 | 149.3 | -162.7 | 44.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 278 | V | 32.8 | Very low | 35.3 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -134.5 | 140.5 | 156 | -72.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 279 | P | 38 | Very low | 34.7 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -79.8 | 158.1 | 178.6 | 32.9 | -34.8 | 0 | 0 | 0 | 112.3 | ||||
| 280 | N | 30 | Very low | 34 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -117.5 | 126.7 | 179.4 | 168 | 33.6 | 0 | 0 | 0 | 110.4 | ||||
| 281 | V | 33.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | trans | -141 | 107.6 | 173.7 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 282 | Q | 33.5 | Very low | 33.6 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | 60 | 110.7 | 142.3 | -64.7 | -175.8 | -80.3 | 0 | 0 | 123.5 | ||||
| 283 | I | 33.7 | Very low | 33.8 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | 65.6 | 113.8 | 109.7 | -65.3 | 169.6 | 0 | 0 | 0 | 120.1 | |||||
| 284 | Q | 32.5 | Very low | 34.1 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 46.6 | 108.4 | 132.6 | -165.9 | -176.3 | 68.1 | 0 | 0 | 119.6 | ||||
| 285 | G | 30.2 | Very low | 34.1 | Very low | 74 Ų | 74 | 150.1 Ų | 150.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -173 | 56.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 286 | Q | 33.2 | Very low | 33.8 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | 48 | 124.7 | 145.1 | -128.9 | -171.9 | 34.9 | 0 | 0 | 122 | ||||
| 287 | R | 38.3 | Very low | 33.7 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | 80.1 | 142.2 | 139.3 | 87.8 | -134.1 | -145.4 | -175.6 | 2.9 | 123.3 | ||||
| 288 | I | 37.2 | Very low | 33.6 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | 93.6 | 108.9 | 143.4 | -83.4 | 174.4 | 0 | 0 | 0 | 121.4 | ||||
| 289 | I | 35 | Very low | 33.5 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 68% | 0.677 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 120.5 | 137.4 | -65.6 | 178.8 | 0 | 0 | 0 | 121.5 | ||||
| 290 | Q | 28.9 | Very low | 33.2 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 65.4 | 148.8 | 153.6 | -88.6 | -173.8 | 84.7 | 0 | 0 | 118.8 | ||||
| 291 | Q | 33.4 | Very low | 33.6 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | -130.4 | 146.8 | 0.5 | -61.2 | -175.7 | -13.8 | 0 | 0 | 111.1 | ||||
| 292 | G | 35.4 | Very low | 33.5 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -102 | 133.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 293 | L | 36.6 | Very low | 33.6 | Very low | 159 Ų | 159 | 145 Ų | 145 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 126.7 | -171.3 | -80.1 | 141.7 | 0 | 0 | 0 | 114.8 | ||||
| 294 | I | 38.5 | Very low | 33.8 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 24.7 | 123.8 | 133.2 | -52.8 | 177.1 | 0 | 0 | 0 | 117.7 | ||||
| 295 | R | 35.9 | Very low | 34.1 | Very low | 237 Ų | 237 | 143.5 Ų | 143.5 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -92 | 128 | 164.9 | -68.4 | -177.5 | 176.4 | -173 | -0.5 | 112.5 | ||||
| 296 | V | 31.7 | Very low | 34 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | 37.7 | 100.6 | 138.4 | -168 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 297 | A | 26.9 | Very low | 34.4 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -165 | 121.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 298 | N | 29.6 | Very low | 34.4 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 91.1 | 149.1 | 66.7 | -167.4 | 26.9 | 0 | 0 | 0 | 113.3 | |||||
| 299 | V | 31.6 | Very low | 34.3 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | 88.4 | 115.9 | 166.3 | -169.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 300 | A | 31.5 | Very low | 34.2 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 73.4 | 150.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 301 | N | 38.9 | Very low | 34.5 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -57.8 | 142 | 161.6 | -64 | -30.6 | 0 | 0 | 0 | 111.5 | ||||
| 302 | N | 31.7 | Very low | 34.7 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -173.7 | 99.8 | 118.7 | -92.8 | -16.9 | 0 | 0 | 0 | 109.6 | M304 | N302-M304 VanDerWaalsContact C-N 3.29Å; N302-M304 PolarHBondContact O-N 3.44Å | |||
| 303 | V | 35.7 | Very low | 34.5 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 92% | 0.915 | 81% | 0.814 | S | S | * | * | trans | -78.4 | 85.4 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 304 | M | 36.5 | Very low | 34.8 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 83% | 0.828 | 82% | 0.815 | S | S | * | * | trans | -68 | 135.7 | 171.6 | -163.6 | 170 | -172.7 | 0 | 0 | 109.3 | N302 S306 | N302-M304 VanDerWaalsContact C-N 3.29Å; N302-M304 PolarHBondContact O-N 3.44Å; M304-S306 PolarHBondContact O-N 3.1Å; M304-S306 VanDerWaalsContact O-N 3.1Å | ||
| 305 | V | 39.5 | Very low | 34.8 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -76.5 | 100.7 | -178.4 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | I307 | V305-I307 PolarHBondContact O-N 3.37Å; V305-I307 VanDerWaalsContact O-N 3.11Å | ||
| 306 | S | 27.6 | Very low | 34.6 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -69.8 | 102.8 | 174.2 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | M304 | M304-S306 PolarHBondContact O-N 3.1Å; M304-S306 VanDerWaalsContact O-N 3.1Å | ||
| 307 | I | 41 | Very low | 34.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 67% | 0.667 | 81% | 0.809 | S | S | * | * | trans | -75.9 | 123.1 | 164.3 | -59.2 | 171.1 | 0 | 0 | 0 | 107.7 | V305 H309 | V305-I307 PolarHBondContact O-N 3.37Å; V305-I307 VanDerWaalsContact O-N 3.11Å; I307-H309 PolarHBondContact O-N 2.98Å | ||
| 308 | P | 40.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 89 | 175.2 | 31.1 | -33.5 | 0 | 0 | 0 | 110.6 | ||||
| 309 | H | 34.6 | Very low | 35.7 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -70.4 | 125 | 156.8 | -81.7 | 128.3 | 0 | 0 | 0 | 108.9 | I307 | I307-H309 PolarHBondContact O-N 2.98Š| ||
| 310 | G | 32 | Very low | 35.8 | Very low | 83 Ų | 83 | 129 Ų | 129 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -87.2 | 148 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 311 | S | 35.4 | Very low | 36.1 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 140.9 | 166.2 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 312 | S | 38.3 | Very low | 36.5 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | trans | -78.7 | 148.9 | -160.6 | -56.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 313 | G | 31.1 | Very low | 37 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -146.7 | 38.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 314 | L | 42.8 | Very low | 37.7 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | 59.7 | 123.3 | 160.7 | -57.2 | 176.6 | 0 | 0 | 0 | 121.2 | ||||
| 315 | K | 38.4 | Very low | 38.5 | Very low | 210 Ų | 210 | 122.1 Ų | 122.1 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | 61.4 | 116.3 | 152.9 | -64.6 | -176.6 | 176.5 | -178.6 | 0 | 119.7 | ||||
| 316 | G | 32.3 | Very low | 40.1 | Very low | 71 Ų | 71 | 119 Ų | 119 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 169.5 | 70.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 317 | S | 37.3 | Very low | 42.3 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 47 | 123.7 | 159.7 | 53.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 318 | S | 30.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 69.3 | 96 | 150.1 | -56.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 319 | P | 41.7 | Very low | 46.2 | Very low | 130 Ų | 130 | 110.1 Ų | 110.1 | 84% | 0.844 | 72% | 0.721 | S | S | * | * | trans | -92.3 | 115 | 159.8 | 34 | -27.1 | 0 | 0 | 0 | 111.5 | ||||
| 320 | S | 35 | Very low | 48.3 | Very low | 108 Ų | 108 | 108.4 Ų | 108.4 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -92.5 | 133.3 | 165.7 | 46.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 321 | S | 38.1 | Very low | 50.4 | Low | 98 Ų | 98 | 107.7 Ų | 107.7 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | trans | 50.7 | 64.8 | 166.7 | 53.4 | 0 | 0 | 0 | 0 | 116.9 | V323 | S321-V323 PolarHBondContact O-N 3.2Š| ||
| 322 | S | 46.5 | Very low | 52.6 | Low | 120 Ų | 120 | 104.8 Ų | 104.8 | 84% | 0.839 | 66% | 0.664 | S | S | * | * | trans | -70.8 | 66.2 | 149.8 | 61.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 323 | V | 42.3 | Very low | 54.7 | Low | 112 Ų | 112 | 101.1 Ų | 101.1 | 68% | 0.679 | 64% | 0.643 | S | S | * | * | trans | -64.5 | 147.4 | 173.6 | -74.2 | 0 | 0 | 0 | 0 | 109.8 | S321 D325 | S321-V323 PolarHBondContact O-N 3.2Å; V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 3.07Å | ||
| 324 | N | 50 | Low | 56.9 | Low | 166 Ų | 166 | 99.4 Ų | 99.4 | 89% | 0.888 | 62% | 0.621 | S | S | * | * | trans | -66.9 | 90 | 174.2 | -75.4 | -67.6 | 0 | 0 | 0 | 109.5 | S326 | N324-S326 PolarHBondContact O-N 3.37Å; N324-S326 VanDerWaalsContact O-N 3.08Å | ||
| 325 | D | 53.8 | Low | 58.6 | Low | 74 Ų | 74 | 94.4 Ų | 94.4 | 40% | 0.396 | 59% | 0.592 | S | S | . | * | trans | -52.4 | 120.1 | 168.3 | -119.6 | -29 | 0 | 0 | 0 | 107.7 | V323 S329 R330 | V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 3.07Å; D325-S329 WeakPolarHBondContact OD1-CB 3.29Å; D325-S329 PolarHBondContact OD1-OG 2.89Å; D325-R330 HydrophobicContact CB-CG 4.36Å; D325-R330 PolarHBondContact O-NH1 2.88Å; D325-R330 PolarHBondContact O-NH2 3.21Å | ||
| 326 | S | 72.4 | Confident | 60.5 | Low | 63 Ų | 63 | 89 Ų | 89 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | trans | -58.1 | 148 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 109.5 | N324 A328 S329 R330 | N324-S326 PolarHBondContact O-N 3.37Å; N324-S326 VanDerWaalsContact O-N 3.08Å; S326-A328 PolarHBondContact O-N 3.29Å; S326-A328 VanDerWaalsContact O-N 3.11Å; S326-A328 PolarHBondContact OG-N 2.72Å; S326-S329 WeakPolarHBondContact O-CA 3.36Å; S326-S329 WeakPolarHBondContact O-CB 3.49Å; S326-S329 PolarHBondContact O-N 3.4Å; S326-R330 PolarHBondContact O-N 2.9Å; S326-R330 VanDerWaalsContact O-N 3.12Å | ||
| 327 | P | 75.1 | Confident | 62.8 | Low | 75 Ų | 75 | 88.4 Ų | 88.4 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -50.4 | -35.4 | 171.5 | 19.6 | -32.3 | 0 | 0 | 0 | 112.3 | S329 R330 Q331 | P327-S329 VanDerWaalsContact C-N 3.34Å; P327-S329 PolarHBondContact O-N 3.38Å; P327-R330 PolarHBondContact O-N 2.73Å; P327-Q331 WeakPolarHBondContact O-CB 3.43Å; P327-Q331 PolarHBondContact O-N 3.38Å |
| 328 | A | 78.6 | Confident | 64.7 | Low | 59 Ų | 59 | 83.4 Ų | 83.4 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -33.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S326 A332 | S326-A328 PolarHBondContact O-N 3.29Å; S326-A328 VanDerWaalsContact O-N 3.11Å; S326-A328 PolarHBondContact OG-N 2.72Å; A328-A332 WeakPolarHBondContact O-CB 3.1Å; A328-A332 PolarHBondContact O-N 2.91Å |
| 329 | S | 82.9 | Confident | 66.8 | Low | 48 Ų | 48 | 85.1 Ų | 85.1 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.2 | -44.9 | 178 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | D325 S326 P327 Q331 A332 A333 | D325-S329 WeakPolarHBondContact OD1-CB 3.29Å; D325-S329 PolarHBondContact OD1-OG 2.89Å; S326-S329 WeakPolarHBondContact O-CA 3.36Å; S326-S329 WeakPolarHBondContact O-CB 3.49Å; S326-S329 PolarHBondContact O-N 3.4Å; P327-S329 VanDerWaalsContact C-N 3.34Å; P327-S329 PolarHBondContact O-N 3.38Å; S329-Q331 VanDerWaalsContact C-N 3.28Å; S329-Q331 PolarHBondContact O-N 3.42Å; S329-A332 PolarHBondContact O-N 2.99Å; S329-A332 VanDerWaalsContact O-N 3.17Å; S329-A333 WeakPolarHBondContact O-CB 3.41Å; S329-A333 PolarHBondContact O-N 2.93Å |
| 330 | R | 80.1 | Confident | 68.8 | Low | 142 Ų | 142 | 85.3 Ų | 85.3 | 54% | 0.536 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 170.8 | -85.6 | -172.3 | -70.2 | -74.1 | -9 | 112 | D325 S326 P327 A334 | D325-R330 HydrophobicContact CB-CG 4.36Å; D325-R330 PolarHBondContact O-NH1 2.88Å; D325-R330 PolarHBondContact O-NH2 3.21Å; S326-R330 PolarHBondContact O-N 2.9Å; S326-R330 VanDerWaalsContact O-N 3.12Å; P327-R330 PolarHBondContact O-N 2.73Å; R330-A334 WeakPolarHBondContact O-CB 3.48Å; R330-A334 PolarHBondContact O-N 3.06Å |
| 331 | Q | 75.9 | Confident | 70.5 | Confident | 68 Ų | 68 | 85.3 Ų | 85.3 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 173.4 | -176 | 171.5 | 15.7 | 0 | 0 | 112.1 | P327 S329 A334 K335 I468 | P327-Q331 WeakPolarHBondContact O-CB 3.43Å; P327-Q331 PolarHBondContact O-N 3.38Å; S329-Q331 VanDerWaalsContact C-N 3.28Å; S329-Q331 PolarHBondContact O-N 3.42Å; Q331-A334 PolarHBondContact O-N 3.38Å; Q331-K335 VanDerWaalsContact O-CB 3.31Å; Q331-K335 WeakPolarHBondContact O-CB 3.35Å; Q331-K335 PolarHBondContact O-N 2.98Å; Q331-I468 HydrophobicContact CB-CD1 3.92Å; Q331-I468 HydrophobicContact CG-CD1 3.76Å |
| 332 | A | 80.6 | Confident | 72 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 49% | 0.488 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A328 S329 K335 L336 | A328-A332 WeakPolarHBondContact O-CB 3.1Å; A328-A332 PolarHBondContact O-N 2.91Å; S329-A332 PolarHBondContact O-N 2.99Å; S329-A332 VanDerWaalsContact O-N 3.17Å; A332-K335 PolarHBondContact O-N 2.9Å; A332-L336 VanDerWaalsContact O-CB 3.27Å; A332-L336 WeakPolarHBondContact O-CB 3.41Å; A332-L336 PolarHBondContact O-N 3.38Å |
| 333 | A | 83.6 | Confident | 73.4 | Confident | 59 Ų | 59 | 82.2 Ų | 82.2 | 49% | 0.488 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S329 L336 A337 | S329-A333 WeakPolarHBondContact O-CB 3.41Å; S329-A333 PolarHBondContact O-N 2.93Å; A333-L336 PolarHBondContact O-N 3.19Å; A333-A337 WeakPolarHBondContact O-CB 3.4Å; A333-A337 PolarHBondContact O-N 2.82Å |
| 334 | A | 77.3 | Confident | 75.3 | Confident | 36 Ų | 36 | 82.7 Ų | 82.7 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R330 Q331 L336 A337 L338 I464 | R330-A334 WeakPolarHBondContact O-CB 3.48Å; R330-A334 PolarHBondContact O-N 3.06Å; Q331-A334 PolarHBondContact O-N 3.38Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.87Å; A334-A337 PolarHBondContact O-N 3.37Å; A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 PolarHBondContact O-N 2.91Å; A334-I464 HydrophobicContact CB-CG2 4.35Å |
| 335 | K | 78.2 | Confident | 76.3 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 26% | 0.257 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 177.6 | -161.3 | 174 | -178.5 | 75 | 0 | 111.7 | Q331 A332 R339 E461 E465 | Q331-K335 VanDerWaalsContact O-CB 3.31Å; Q331-K335 WeakPolarHBondContact O-CB 3.35Å; Q331-K335 PolarHBondContact O-N 2.98Å; A332-K335 PolarHBondContact O-N 2.9Å; K335-R339 VanDerWaalsContact O-CG 3.31Å; K335-R339 WeakPolarHBondContact O-CG 3.37Å; K335-R339 PolarHBondContact O-N 3.12Å; K335-R339 VanDerWaalsContact O-N 3.07Å; K335-E461 WeakPolarHBondContact CE-OE1 3.43Å; K335-E461 IonicContact NZ-OE1 2.71Å; K335-E461 PolarHBondContact NZ-OE1 3.1Å; K335-E465 IonicContact NZ-OE1 3.99Å; K335-E465 PolarHBondContact NZ-OE1 2.92Å |
| 336 | L | 78.2 | Confident | 77 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 51% | 0.513 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -76.8 | -37.3 | 176 | -168.8 | 139.5 | 0 | 0 | 0 | 112.9 | A332 A333 A334 R339 K340 | A332-L336 VanDerWaalsContact O-CB 3.27Å; A332-L336 WeakPolarHBondContact O-CB 3.41Å; A332-L336 PolarHBondContact O-N 3.38Å; A333-L336 PolarHBondContact O-N 3.19Å; A334-L336 VanDerWaalsContact C-N 3.31Å; A334-L336 PolarHBondContact O-N 2.87Å; L336-R339 PolarHBondContact O-N 3.32Å; L336-K340 HydrophobicContact CD2-CD 4.16Å; L336-K340 PolarHBondContact O-N 2.92Å; L336-K340 VanDerWaalsContact O-N 3.09Å |
| 337 | A | 81.3 | Confident | 76.9 | Confident | 57 Ų | 57 | 80.5 Ų | 80.5 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A333 A334 K340 Q341 | A333-A337 WeakPolarHBondContact O-CB 3.4Å; A333-A337 PolarHBondContact O-N 2.82Å; A334-A337 PolarHBondContact O-N 3.37Å; A337-K340 PolarHBondContact O-N 3.06Å; A337-Q341 PolarHBondContact O-N 2.81Å |
| 338 | L | 76.1 | Confident | 76.9 | Confident | 6 Ų | 6 | 82.3 Ų | 82.3 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.7 | -51 | 173.5 | -171.5 | 74.6 | 0 | 0 | 0 | 110.9 | A334 K340 Q341 L342 Q460 E461 I464 | A334-L338 WeakPolarHBondContact O-CB 3.48Å; A334-L338 PolarHBondContact O-N 2.91Å; L338-K340 VanDerWaalsContact C-N 3.31Å; L338-K340 PolarHBondContact O-N 3.13Å; L338-Q341 PolarHBondContact O-N 3.42Å; L338-L342 HydrophobicContact CD2-CD1 4.33Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.41Å; L338-L342 VanDerWaalsContact O-CG 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.27Å; L338-L342 PolarHBondContact O-N 2.9Å; L338-Q460 HydrophobicContact CD1-CB 4.13Å; L338-Q460 HydrophobicContact CD1-CG 3.66Å; L338-E461 HydrophobicContact CD2-CB 3.66Å; L338-E461 HydrophobicContact CD2-CG 4.12Å; L338-I464 HydrophobicContact CD1-CD1 4.1Å; L338-I464 HydrophobicContact CD2-CD1 4.29Å |
| 339 | R | 76 | Confident | 76.6 | Confident | 151 Ų | 151 | 80.8 Ų | 80.8 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -55.8 | -42.1 | 177.7 | -75.8 | 171.9 | -179.7 | -163.5 | -2.7 | 112.9 | K335 L336 L342 E343 | K335-R339 VanDerWaalsContact O-CG 3.31Å; K335-R339 WeakPolarHBondContact O-CG 3.37Å; K335-R339 PolarHBondContact O-N 3.12Å; K335-R339 VanDerWaalsContact O-N 3.07Å; L336-R339 PolarHBondContact O-N 3.32Å; R339-L342 PolarHBondContact O-N 3.33Å; R339-E343 WeakPolarHBondContact O-CB 3.48Å; R339-E343 PolarHBondContact O-N 2.87Å |
| 340 | K | 82.2 | Confident | 76.1 | Confident | 133 Ų | 133 | 82.3 Ų | 82.3 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 174.4 | -73.8 | -179.8 | 173.4 | -178.6 | 0 | 113.1 | L336 A337 L338 L342 K344 | L336-K340 HydrophobicContact CD2-CD 4.16Å; L336-K340 PolarHBondContact O-N 2.92Å; L336-K340 VanDerWaalsContact O-N 3.09Å; A337-K340 PolarHBondContact O-N 3.06Å; L338-K340 VanDerWaalsContact C-N 3.31Å; L338-K340 PolarHBondContact O-N 3.13Å; K340-L342 VanDerWaalsContact C-N 3.28Å; K340-L342 PolarHBondContact O-N 3.46Å; K340-K344 WeakPolarHBondContact O-CB 3.39Å; K340-K344 PolarHBondContact O-N 3.42Å |
| 341 | Q | 72.4 | Confident | 75.7 | Confident | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66 | -33 | 174.9 | -178.5 | 169.1 | -29.4 | 0 | 0 | 111.8 | A337 L338 T345 | A337-Q341 PolarHBondContact O-N 2.81Å; L338-Q341 PolarHBondContact O-N 3.42Å; Q341-T345 WeakPolarHBondContact O-CB 3.46Å; Q341-T345 PolarHBondContact O-N 2.89Å; Q341-T345 PolarHBondContact O-OG1 2.78Å |
| 342 | L | 67.8 | Low | 75.2 | Confident | 30 Ų | 30 | 80 Ų | 80 | 16% | 0.157 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -75.5 | -41.5 | 177.1 | -66.7 | 170 | 0 | 0 | 0 | 112.5 | L338 R339 K340 K344 T345 L346 A457 | L338-L342 HydrophobicContact CD2-CD1 4.33Å; L338-L342 HydrophobicContact CG-CD1 3.91Å; L338-L342 HydrophobicContact CG-CG 4.41Å; L338-L342 VanDerWaalsContact O-CG 3.22Å; L338-L342 WeakPolarHBondContact O-CG 3.27Å; L338-L342 PolarHBondContact O-N 2.9Å; R339-L342 PolarHBondContact O-N 3.33Å; K340-L342 VanDerWaalsContact C-N 3.28Å; K340-L342 PolarHBondContact O-N 3.46Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-T345 PolarHBondContact O-N 3.27Å; L342-T345 VanDerWaalsContact O-N 3.16Å; L342-L346 WeakPolarHBondContact O-CB 3.21Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 2.85Å; L342-A457 HydrophobicContact CD1-CB 3.5Å; L342-A457 VanDerWaalsContact CD1-CB 3.5Å; L342-A457 HydrophobicContact CD2-CB 3.38Å; L342-A457 HydrophobicContact CG-CB 4Å |
| 343 | E | 77.1 | Confident | 74.7 | Confident | 123 Ų | 123 | 85.9 Ų | 85.9 | 58% | 0.575 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -55.7 | -49.3 | 169.5 | -178.8 | 172.5 | -151.8 | 0 | 0 | 110.6 | R339 T345 L346 L347 | R339-E343 WeakPolarHBondContact O-CB 3.48Å; R339-E343 PolarHBondContact O-N 2.87Å; E343-T345 PolarHBondContact O-N 2.97Å; E343-L346 PolarHBondContact O-N 3.11Å; E343-L347 HydrophobicContact CG-CD1 4.08Å; E343-L347 WeakPolarHBondContact O-CB 3.39Å; E343-L347 PolarHBondContact O-N 2.94Å |
| 344 | K | 81.2 | Confident | 73.9 | Confident | 121 Ų | 121 | 88 Ų | 88 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.2 | -50.6 | 170.9 | -172.9 | -172.9 | -175 | -97.8 | 0 | 111.5 | K340 L342 L346 L347 E348 | K340-K344 WeakPolarHBondContact O-CB 3.39Å; K340-K344 PolarHBondContact O-N 3.42Å; L342-K344 VanDerWaalsContact C-N 3.35Å; K344-L346 VanDerWaalsContact C-N 3.28Å; K344-L346 PolarHBondContact O-N 3.31Å; K344-L347 PolarHBondContact O-N 3.02Å; K344-E348 VanDerWaalsContact NZ-CD 3.31Å; K344-E348 IonicContact NZ-OE1 3.11Å; K344-E348 PolarHBondContact NZ-OE1 3.05Å; K344-E348 IonicContact NZ-OE2 2.78Å; K344-E348 PolarHBondContact NZ-OE2 2.85Å; K344-E348 WeakPolarHBondContact O-CB 3.46Å; K344-E348 PolarHBondContact O-N 2.77Å |
| 345 | T | 71.6 | Confident | 73.5 | Confident | 56 Ų | 56 | 89.3 Ų | 89.3 | 34% | 0.344 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.8 | -35.7 | -175.8 | -58.9 | 0 | 0 | 0 | 0 | 112 | Q341 L342 E343 I349 | Q341-T345 WeakPolarHBondContact O-CB 3.46Å; Q341-T345 PolarHBondContact O-N 2.89Å; Q341-T345 PolarHBondContact O-OG1 2.78Å; L342-T345 PolarHBondContact O-N 3.27Å; L342-T345 VanDerWaalsContact O-N 3.16Å; E343-T345 PolarHBondContact O-N 2.97Å; T345-I349 VanDerWaalsContact O-CG1 3.32Å; T345-I349 WeakPolarHBondContact O-CG1 3.23Å; T345-I349 PolarHBondContact O-N 2.71Å |
| 346 | L | 69.3 | Low | 73.2 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.7 | -41.6 | 176.1 | -72.9 | 164.5 | 0 | 0 | 0 | 112.2 | L342 E343 K344 E348 I349 L450 A453 F454 | L342-L346 WeakPolarHBondContact O-CB 3.21Å; L342-L346 WeakPolarHBondContact O-CG 3.24Å; L342-L346 PolarHBondContact O-N 2.85Å; E343-L346 PolarHBondContact O-N 3.11Å; K344-L346 VanDerWaalsContact C-N 3.28Å; K344-L346 PolarHBondContact O-N 3.31Å; L346-E348 VanDerWaalsContact C-N 3.26Å; L346-E348 PolarHBondContact O-N 2.87Å; L346-I349 HydrophobicContact CD2-CD1 4.28Å; L346-I349 PolarHBondContact O-N 3.44Å; L346-L450 HydrophobicContact CD2-CG 4.43Å; L346-A453 HydrophobicContact CD2-CB 4.24Å; L346-F454 HydrophobicContact CD1-CD1 4.49Å; L346-F454 HydrophobicContact CD1-CE1 3.64Å; L346-F454 HydrophobicContact CD1-CE2 4.44Å; L346-F454 HydrophobicContact CD1-CZ 3.61Å; L346-F454 HydrophobicContact CD2-CD2 4.33Å; L346-F454 HydrophobicContact CD2-CE1 4.34Å; L346-F454 HydrophobicContact CD2-CE2 3.8Å; L346-F454 HydrophobicContact CD2-CZ 3.8Å; L346-F454 HydrophobicContact CG-CZ 4.39Å |
| 347 | L | 69.9 | Low | 72.7 | Confident | 144 Ų | 144 | 90.6 Ų | 90.6 | 75% | 0.754 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.8 | -28.8 | 172.5 | -83.1 | 157.5 | 0 | 0 | 0 | 112.9 | E343 K344 | E343-L347 HydrophobicContact CG-CD1 4.08Å; E343-L347 WeakPolarHBondContact O-CB 3.39Å; E343-L347 PolarHBondContact O-N 2.94Å; K344-L347 PolarHBondContact O-N 3.02Å |
| 348 | E | 75.1 | Confident | 72.1 | Confident | 114 Ų | 114 | 92.8 Ų | 92.8 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.7 | -178.3 | -165.7 | 164.3 | -154.7 | 0 | 0 | 113.2 | K344 L346 P350 | K344-E348 VanDerWaalsContact NZ-CD 3.31Å; K344-E348 IonicContact NZ-OE1 3.11Å; K344-E348 PolarHBondContact NZ-OE1 3.05Å; K344-E348 IonicContact NZ-OE2 2.78Å; K344-E348 PolarHBondContact NZ-OE2 2.85Å; K344-E348 WeakPolarHBondContact O-CB 3.46Å; K344-E348 PolarHBondContact O-N 2.77Å; L346-E348 VanDerWaalsContact C-N 3.26Å; L346-E348 PolarHBondContact O-N 2.87Å; E348-P350 WeakPolarHBondContact O-CD 3.49Å |
| 349 | I | 72.6 | Confident | 71.5 | Confident | 26 Ų | 26 | 100 Ų | 100 | 13% | 0.133 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -67 | 111.8 | 169.1 | -57.2 | -176.2 | 0 | 0 | 0 | 108.2 | T345 L346 R449 L450 A453 | T345-I349 VanDerWaalsContact O-CG1 3.32Å; T345-I349 WeakPolarHBondContact O-CG1 3.23Å; T345-I349 PolarHBondContact O-N 2.71Å; L346-I349 HydrophobicContact CD2-CD1 4.28Å; L346-I349 PolarHBondContact O-N 3.44Å; I349-R449 HydrophobicContact CG2-CB 4.3Å; I349-L450 HydrophobicContact CD1-CD1 3.65Å; I349-L450 HydrophobicContact CD1-CG 3.97Å; I349-L450 HydrophobicContact CG2-CD1 4.14Å; I349-A453 HydrophobicContact CD1-CB 4.24Å |
| 350 | P | 71.9 | Confident | 71 | Confident | 80 Ų | 80 | 96.1 Ų | 96.1 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | trans | -65.2 | 142.6 | -175.8 | -20.9 | 34.6 | 0 | 0 | 0 | 110.5 | E348 | E348-P350 WeakPolarHBondContact O-CD 3.49Š| ||
| 351 | P | 71.7 | Confident | 70.2 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 70% | 0.701 | 52% | 0.522 | S | S | * | . | trans | -56.6 | 141.8 | 172.2 | 25.1 | -33.7 | 0 | 0 | 0 | 109.3 | K353 | P351-K353 PolarHBondContact O-N 2.87Š| ||
| 352 | P | 65.8 | Low | 69.8 | Low | 53 Ų | 53 | 100.5 Ų | 100.5 | 34% | 0.344 | 54% | 0.536 | S | S | . | . | trans | -58.6 | 114.6 | -177.3 | 23.6 | -32.7 | 0 | 0 | 0 | 108.9 | L442 H446 | P352-L442 HydrophobicContact CB-CB 4.48Å; P352-H446 HydrophobicContact CG-CB 4.29Å | ||
| 353 | K | 69.5 | Low | 69.9 | Low | 184 Ų | 184 | 102.2 Ų | 102.2 | 80% | 0.8 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 128.5 | -175.3 | -171.6 | 173.1 | -176.5 | 173 | 0 | 108.4 | P351 | P351-K353 PolarHBondContact O-N 2.87Š|
| 354 | P | 67.1 | Low | 69.6 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 68% | 0.675 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 138.2 | 179.8 | 22.5 | -33.3 | 0 | 0 | 0 | 109.1 | A356 | P354-A356 PolarHBondContact O-N 3.34Š|
| 355 | P | 69.4 | Low | 69.1 | Low | 62 Ų | 62 | 98.4 Ų | 98.4 | 40% | 0.403 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 138.6 | 174.7 | 26 | -33.6 | 0 | 0 | 0 | 108.3 | L442 | P355-L442 HydrophobicContact CG-CD1 4.46Š|
| 356 | A | 71.3 | Confident | 69.4 | Low | 87 Ų | 87 | 99.6 Ų | 99.6 | 72% | 0.719 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 130 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P354 E358 | P354-A356 PolarHBondContact O-N 3.34Å; A356-E358 PolarHBondContact O-N 3.13Å |
| 357 | P | 68.1 | Low | 70.1 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.6 | 177 | -25.4 | 34.4 | 0 | 0 | 0 | 109.6 | F359 | P357-F359 HydrophobicContact CB-CE2 4.13Å; P357-F359 HydrophobicContact CB-CZ 4.3Å; P357-F359 VanDerWaalsContact O-CD2 3.25Å; P357-F359 WeakPolarHBondContact O-CD2 3.29Å; P357-F359 PolarHBondContact O-N 3.47Å |
| 358 | E | 67.8 | Low | 70.9 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | trans | -74.3 | 100.6 | 172 | -81.2 | -167.5 | -174.3 | 0 | 0 | 109.2 | A356 N360 R419 R421 | A356-E358 PolarHBondContact O-N 3.13Å; E358-N360 WeakPolarHBondContact CB-ND2 3.43Å; E358-N360 PolarHBondContact O-N 3.17Å; E358-N360 PolarHBondContact O-ND2 3.1Å; E358-R419 IonicContact OE2-NH1 2.65Å; E358-R419 PolarHBondContact OE2-NH1 3.4Å; E358-R419 VanDerWaalsContact OE2-NH1 3.11Å; E358-R421 IonicContact OE1-CZ 3.29Å; E358-R421 IonicContact OE1-NH1 2.82Å; E358-R421 PolarHBondContact OE1-NH1 2.76Å; E358-R421 IonicContact OE1-NH2 2.75Å; E358-R421 IonicContact OE2-CZ 2.68Å; E358-R421 IonicContact OE2-NH1 3.27Å; E358-R421 PolarHBondContact OE2-NH1 3.39Å; E358-R421 IonicContact OE2-NH2 3.03Å; E358-R421 PolarHBondContact OE2-NH2 3.04Å | ||
| 359 | F | 64.1 | Low | 71.5 | Confident | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.693 | 57% | 0.569 | S | S | * | * | trans | -65.3 | 80.1 | 165.7 | -64.2 | -80.3 | 0 | 0 | 0 | 109.5 | P357 F361 | P357-F359 HydrophobicContact CB-CE2 4.13Å; P357-F359 HydrophobicContact CB-CZ 4.3Å; P357-F359 VanDerWaalsContact O-CD2 3.25Å; P357-F359 WeakPolarHBondContact O-CD2 3.29Å; P357-F359 PolarHBondContact O-N 3.47Å; F359-F361 HydrophobicContact CB-CD2 4.05Å; F359-F361 HydrophobicContact CB-CE2 3.61Å; F359-F361 HydrophobicContact CB-CZ 4.03Å; F359-F361 VanDerWaalsContact O-CD2 3.27Å; F359-F361 WeakPolarHBondContact O-CD2 3.1Å; F359-F361 PolarHBondContact O-N 2.96Å | ||
| 360 | N | 66.3 | Low | 72 | Confident | 70 Ų | 70 | 100.5 Ų | 100.5 | 37% | 0.374 | 58% | 0.575 | S | S | . | * | trans | -71 | 85.8 | 163.4 | -67.8 | -92.7 | 0 | 0 | 0 | 106 | E358 L362 R419 | E358-N360 WeakPolarHBondContact CB-ND2 3.43Å; E358-N360 PolarHBondContact O-N 3.17Å; E358-N360 PolarHBondContact O-ND2 3.1Å; N360-L362 PolarHBondContact O-N 3.16Å; N360-R419 WeakPolarHBondContact OD1-CD 3.41Å; N360-R419 VanDerWaalsContact OD1-CZ 3.23Å; N360-R419 PolarHBondContact OD1-NE 3.44Å; N360-R419 PolarHBondContact OD1-NH1 3.28Å | ||
| 361 | F | 64.6 | Low | 72.6 | Confident | 178 Ų | 178 | 100.4 Ų | 100.4 | 78% | 0.781 | 57% | 0.569 | S | S | * | * | trans | -63.4 | 90.6 | 171.3 | -69.2 | -83.7 | 0 | 0 | 0 | 108.3 | F359 P363 | F359-F361 HydrophobicContact CB-CD2 4.05Å; F359-F361 HydrophobicContact CB-CE2 3.61Å; F359-F361 HydrophobicContact CB-CZ 4.03Å; F359-F361 VanDerWaalsContact O-CD2 3.27Å; F359-F361 WeakPolarHBondContact O-CD2 3.1Å; F359-F361 PolarHBondContact O-N 2.96Å; F361-P363 VanDerWaalsContact O-CD 3.25Å; F361-P363 WeakPolarHBondContact O-CD 3.35Å | ||
| 362 | L | 63.9 | Low | 73.4 | Confident | 156 Ų | 156 | 102.8 Ų | 102.8 | 82% | 0.817 | 57% | 0.565 | S | S | * | * | trans | -82 | 106.6 | 164 | -64.8 | 172.8 | 0 | 0 | 0 | 106.2 | N360 | N360-L362 PolarHBondContact O-N 3.16Š| ||
| 363 | P | 68.9 | Low | 74.5 | Confident | 65 Ų | 65 | 105.6 Ų | 105.6 | 42% | 0.422 | 58% | 0.576 | S | S | . | * | trans | -65.7 | 146.5 | 178.3 | -20.1 | 37.4 | 0 | 0 | 0 | 108.9 | F361 A365 F370 | F361-P363 VanDerWaalsContact O-CD 3.25Å; F361-P363 WeakPolarHBondContact O-CD 3.35Å; P363-A365 PolarHBondContact O-N 2.75Å; P363-A365 VanDerWaalsContact O-N 3.15Å; P363-F370 HydrophobicContact CB-CD1 3.68Å; P363-F370 HydrophobicContact CB-CD2 4.11Å; P363-F370 HydrophobicContact CB-CE1 3.71Å; P363-F370 HydrophobicContact CB-CE2 4.16Å; P363-F370 HydrophobicContact CB-CG 3.88Å; P363-F370 HydrophobicContact CB-CZ 3.96Å; P363-F370 HydrophobicContact CG-CD1 4.13Å; P363-F370 HydrophobicContact CG-CD2 4.16Å; P363-F370 HydrophobicContact CG-CE1 3.66Å; P363-F370 HydrophobicContact CG-CE2 3.72Å; P363-F370 HydrophobicContact CG-CG 4.35Å; P363-F370 HydrophobicContact CG-CZ 3.44Å; P363-F370 VanDerWaalsContact CG-CZ 3.44Å | ||
| 364 | S | 71.6 | Confident | 75.3 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | trans | -58 | 123 | -170.3 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | A366 N367 | S364-A366 PolarHBondContact O-N 3.21Å; S364-A366 PolarHBondContact OG-N 3.33Å; S364-N367 WeakPolarHBondContact O-CB 3.38Å; S364-N367 PolarHBondContact O-N 3.01Å | ||
| 365 | A | 70.4 | Confident | 76.2 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 69% | 0.686 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -4.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P363 N367 | P363-A365 PolarHBondContact O-N 2.75Å; P363-A365 VanDerWaalsContact O-N 3.15Å; A365-N367 VanDerWaalsContact C-N 3.35Å |
| 366 | A | 78 | Confident | 77.3 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -11.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S364 N368 | S364-A366 PolarHBondContact O-N 3.21Å; S364-A366 PolarHBondContact OG-N 3.33Å; A366-N368 PolarHBondContact O-N 2.94Å |
| 367 | N | 85.3 | Confident | 78.1 | Confident | 71 Ų | 71 | 101.7 Ų | 101.7 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | trans | -89.2 | 100.5 | 171.5 | -172.9 | -0.8 | 0 | 0 | 0 | 110.7 | S364 A365 E369 F370 I371 | S364-N367 WeakPolarHBondContact O-CB 3.38Å; S364-N367 PolarHBondContact O-N 3.01Å; A365-N367 VanDerWaalsContact C-N 3.35Å; N367-E369 VanDerWaalsContact C-N 3.27Å; N367-E369 PolarHBondContact O-N 3.07Å; N367-E369 WeakPolarHBondContact OD1-CB 3.48Å; N367-E369 PolarHBondContact OD1-N 3.36Å; N367-F370 HydrophobicContact CB-CB 4.42Å; N367-F370 PolarHBondContact O-N 2.99Å; N367-I371 PolarHBondContact O-N 3.04Å | ||
| 368 | N | 85.2 | Confident | 79 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -31.6 | 177.5 | -58.8 | -76.3 | 0 | 0 | 0 | 113 | A366 F370 I371 Y372 | A366-N368 PolarHBondContact O-N 2.94Å; N368-F370 VanDerWaalsContact C-N 3.31Å; N368-F370 PolarHBondContact O-N 3.2Å; N368-I371 PolarHBondContact O-N 2.95Å; N368-I371 VanDerWaalsContact O-N 3.16Å; N368-Y372 HydrophobicContact CB-CE2 3.97Å; N368-Y372 WeakPolarHBondContact O-CD2 3.36Å; N368-Y372 PolarHBondContact O-N 3.1Å |
| 369 | E | 87.4 | Confident | 80 | Confident | 137 Ų | 137 | 102.7 Ų | 102.7 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.5 | -41.3 | 178.4 | -58.6 | -175.8 | 116.8 | 0 | 0 | 111.3 | N367 I371 Y372 L373 | N367-E369 VanDerWaalsContact C-N 3.27Å; N367-E369 PolarHBondContact O-N 3.07Å; N367-E369 WeakPolarHBondContact OD1-CB 3.48Å; N367-E369 PolarHBondContact OD1-N 3.36Å; E369-I371 VanDerWaalsContact C-N 3.35Å; E369-I371 PolarHBondContact O-N 3.1Å; E369-Y372 PolarHBondContact O-N 3.07Å; E369-L373 VanDerWaalsContact O-CG 3.32Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.28Å |
| 370 | F | 83.7 | Confident | 81.4 | Confident | 58 Ų | 58 | 99 Ų | 99 | 25% | 0.254 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.1 | -37.2 | 176.5 | 176.9 | -107.5 | 0 | 0 | 0 | 112.1 | P363 N367 N368 Y372 L373 L374 | P363-F370 HydrophobicContact CB-CD1 3.68Å; P363-F370 HydrophobicContact CB-CD2 4.11Å; P363-F370 HydrophobicContact CB-CE1 3.71Å; P363-F370 HydrophobicContact CB-CE2 4.16Å; P363-F370 HydrophobicContact CB-CG 3.88Å; P363-F370 HydrophobicContact CB-CZ 3.96Å; P363-F370 HydrophobicContact CG-CD1 4.13Å; P363-F370 HydrophobicContact CG-CD2 4.16Å; P363-F370 HydrophobicContact CG-CE1 3.66Å; P363-F370 HydrophobicContact CG-CE2 3.72Å; P363-F370 HydrophobicContact CG-CG 4.35Å; P363-F370 HydrophobicContact CG-CZ 3.44Å; P363-F370 VanDerWaalsContact CG-CZ 3.44Å; N367-F370 HydrophobicContact CB-CB 4.42Å; N367-F370 PolarHBondContact O-N 2.99Å; N368-F370 VanDerWaalsContact C-N 3.31Å; N368-F370 PolarHBondContact O-N 3.2Å; F370-Y372 VanDerWaalsContact C-N 3.34Å; F370-L373 PolarHBondContact O-N 3.32Å; F370-L374 HydrophobicContact CD1-CD1 4.13Å; F370-L374 HydrophobicContact CD1-CG 4.4Å; F370-L374 HydrophobicContact CE1-CD1 3.34Å; F370-L374 HydrophobicContact CE1-CD2 4.48Å; F370-L374 HydrophobicContact CE1-CG 3.79Å; F370-L374 HydrophobicContact CE2-CD1 4.34Å; F370-L374 HydrophobicContact CE2-CD2 4.08Å; F370-L374 HydrophobicContact CE2-CG 3.89Å; F370-L374 HydrophobicContact CZ-CD1 3.47Å; F370-L374 VanDerWaalsContact CZ-CD1 3.47Å; F370-L374 HydrophobicContact CZ-CD2 3.74Å; F370-L374 HydrophobicContact CZ-CG 3.49Å; F370-L374 VanDerWaalsContact CZ-CG 3.49Å; F370-L374 PolarHBondContact O-N 3.42Å |
| 371 | I | 84.9 | Confident | 82.4 | Confident | 78 Ų | 78 | 101 Ų | 101 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.1 | -62.2 | 174.2 | 0 | 0 | 0 | 110.6 | N367 N368 E369 G375 | N367-I371 PolarHBondContact O-N 3.04Å; N368-I371 PolarHBondContact O-N 2.95Å; N368-I371 VanDerWaalsContact O-N 3.16Å; E369-I371 VanDerWaalsContact C-N 3.35Å; E369-I371 PolarHBondContact O-N 3.1Å; I371-G375 PolarHBondContact O-N 2.88Å |
| 372 | Y | 88.6 | Confident | 83.4 | Confident | 157 Ų | 157 | 96.1 Ų | 96.1 | 62% | 0.616 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 174.8 | -57.8 | -41 | 0 | 0 | 0 | 112.3 | N368 E369 F370 G375 L376 | N368-Y372 HydrophobicContact CB-CE2 3.97Å; N368-Y372 WeakPolarHBondContact O-CD2 3.36Å; N368-Y372 PolarHBondContact O-N 3.1Å; E369-Y372 PolarHBondContact O-N 3.07Å; F370-Y372 VanDerWaalsContact C-N 3.34Å; Y372-G375 PolarHBondContact O-N 3.25Å; Y372-L376 WeakPolarHBondContact O-CG 3.44Å; Y372-L376 PolarHBondContact O-N 3.43Å |
| 373 | L | 89 | Confident | 84.5 | Confident | 112 Ų | 112 | 92.7 Ų | 92.7 | 59% | 0.586 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.6 | -71 | 170 | 0 | 0 | 0 | 112.4 | E369 F370 L376 E377 | E369-L373 VanDerWaalsContact O-CG 3.32Å; E369-L373 WeakPolarHBondContact O-CG 3.47Å; E369-L373 PolarHBondContact O-N 3.28Å; F370-L373 PolarHBondContact O-N 3.32Å; L373-L376 PolarHBondContact O-N 3.18Å; L373-E377 WeakPolarHBondContact O-CB 3.46Å; L373-E377 PolarHBondContact O-N 3.06Å |
| 374 | L | 85.2 | Confident | 85.4 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 40% | 0.403 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 170.8 | -77.9 | -175.9 | 0 | 0 | 0 | 112.2 | F370 L376 E377 E378 | F370-L374 HydrophobicContact CD1-CD1 4.13Å; F370-L374 HydrophobicContact CD1-CG 4.4Å; F370-L374 HydrophobicContact CE1-CD1 3.34Å; F370-L374 HydrophobicContact CE1-CD2 4.48Å; F370-L374 HydrophobicContact CE1-CG 3.79Å; F370-L374 HydrophobicContact CE2-CD1 4.34Å; F370-L374 HydrophobicContact CE2-CD2 4.08Å; F370-L374 HydrophobicContact CE2-CG 3.89Å; F370-L374 HydrophobicContact CZ-CD1 3.47Å; F370-L374 VanDerWaalsContact CZ-CD1 3.47Å; F370-L374 HydrophobicContact CZ-CD2 3.74Å; F370-L374 HydrophobicContact CZ-CG 3.49Å; F370-L374 VanDerWaalsContact CZ-CG 3.49Å; F370-L374 PolarHBondContact O-N 3.42Å; L374-L376 VanDerWaalsContact C-N 3.29Å; L374-L376 PolarHBondContact O-N 3Å; L374-E377 PolarHBondContact O-N 2.98Å; L374-E378 PolarHBondContact O-N 2.89Å |
| 375 | G | 87.6 | Confident | 85.8 | Confident | 39 Ų | 39 | 93.4 Ų | 93.4 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I371 Y372 V379 | I371-G375 PolarHBondContact O-N 2.88Å; Y372-G375 PolarHBondContact O-N 3.25Å; G375-V379 WeakPolarHBondContact O-CB 3.3Å; G375-V379 VanDerWaalsContact O-CG2 3.26Å; G375-V379 WeakPolarHBondContact O-CG2 3.42Å; G375-V379 PolarHBondContact O-N 3.47Å; G375-V379 VanDerWaalsContact O-N 3.12Å |
| 376 | L | 91.1 | Very high | 86.1 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -70.4 | -38.8 | 173.8 | -70 | 169.1 | 0 | 0 | 0 | 112.2 | Y372 L373 L374 V379 V380 | Y372-L376 WeakPolarHBondContact O-CG 3.44Å; Y372-L376 PolarHBondContact O-N 3.43Å; L373-L376 PolarHBondContact O-N 3.18Å; L374-L376 VanDerWaalsContact C-N 3.29Å; L374-L376 PolarHBondContact O-N 3Å; L376-V379 PolarHBondContact O-N 2.81Å; L376-V380 WeakPolarHBondContact O-CB 2.89Å; L376-V380 VanDerWaalsContact O-CG2 3.28Å; L376-V380 WeakPolarHBondContact O-CG2 3.33Å; L376-V380 PolarHBondContact O-N 2.85Å |
| 377 | E | 88.1 | Confident | 86 | Confident | 131 Ų | 131 | 96.5 Ų | 96.5 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -47.4 | 174.7 | -175.7 | 171 | -137.6 | 0 | 0 | 111.5 | L373 L374 V379 V380 Q381 | L373-E377 WeakPolarHBondContact O-CB 3.46Å; L373-E377 PolarHBondContact O-N 3.06Å; L374-E377 PolarHBondContact O-N 2.98Å; E377-V379 PolarHBondContact O-N 3.25Å; E377-V380 PolarHBondContact O-N 3.34Å; E377-Q381 VanDerWaalsContact O-CB 3.23Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 2.93Å |
| 378 | E | 87.1 | Confident | 85.1 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 176.9 | -167.2 | 70.5 | -141.9 | 0 | 0 | 111.8 | L374 Q381 K382 | L374-E378 PolarHBondContact O-N 2.89Å; E378-Q381 PolarHBondContact O-N 3.47Å; E378-K382 WeakPolarHBondContact O-CB 3.32Å; E378-K382 PolarHBondContact O-N 2.95Å |
| 379 | V | 90 | Very high | 83.8 | Confident | 83 Ų | 83 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.3 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | G375 L376 E377 K382 L383 | G375-V379 WeakPolarHBondContact O-CB 3.3Å; G375-V379 VanDerWaalsContact O-CG2 3.26Å; G375-V379 WeakPolarHBondContact O-CG2 3.42Å; G375-V379 PolarHBondContact O-N 3.47Å; G375-V379 VanDerWaalsContact O-N 3.12Å; L376-V379 PolarHBondContact O-N 2.81Å; E377-V379 PolarHBondContact O-N 3.25Å; V379-K382 PolarHBondContact O-N 3.39Å; V379-L383 HydrophobicContact CG1-CD1 4Å; V379-L383 WeakPolarHBondContact O-CB 3.37Å; V379-L383 VanDerWaalsContact O-CG 3.32Å; V379-L383 WeakPolarHBondContact O-CG 3.38Å; V379-L383 PolarHBondContact O-N 2.87Å |
| 380 | V | 92.1 | Very high | 82.3 | Confident | 81 Ų | 81 | 95.3 Ų | 95.3 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.1 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | L376 E377 K382 L383 L384 | L376-V380 WeakPolarHBondContact O-CB 2.89Å; L376-V380 VanDerWaalsContact O-CG2 3.28Å; L376-V380 WeakPolarHBondContact O-CG2 3.33Å; L376-V380 PolarHBondContact O-N 2.85Å; E377-V380 PolarHBondContact O-N 3.34Å; V380-K382 VanDerWaalsContact C-N 3.29Å; V380-K382 PolarHBondContact O-N 3.3Å; V380-L383 PolarHBondContact O-N 2.83Å; V380-L384 HydrophobicContact CG1-CD1 3.85Å; V380-L384 HydrophobicContact CG1-CG 4.43Å; V380-L384 WeakPolarHBondContact O-CB 3.28Å; V380-L384 VanDerWaalsContact O-CG 3.29Å; V380-L384 WeakPolarHBondContact O-CG 3.38Å; V380-L384 PolarHBondContact O-N 3.12Å |
| 381 | Q | 87.8 | Confident | 81 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 176.1 | -174.9 | 57.2 | 46.6 | 0 | 0 | 111.7 | E377 E378 E385 | E377-Q381 VanDerWaalsContact O-CB 3.23Å; E377-Q381 WeakPolarHBondContact O-CB 3.49Å; E377-Q381 PolarHBondContact O-N 2.93Å; E378-Q381 PolarHBondContact O-N 3.47Å; Q381-E385 WeakPolarHBondContact O-CB 3.39Å; Q381-E385 PolarHBondContact O-N 2.72Å |
| 382 | K | 84.9 | Confident | 79.7 | Confident | 74 Ų | 74 | 102.8 Ų | 102.8 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 174.6 | -171.9 | 69.7 | -155.1 | 172.3 | 0 | 112.5 | E378 V379 V380 L384 E385 M386 | E378-K382 WeakPolarHBondContact O-CB 3.32Å; E378-K382 PolarHBondContact O-N 2.95Å; V379-K382 PolarHBondContact O-N 3.39Å; V380-K382 VanDerWaalsContact C-N 3.29Å; V380-K382 PolarHBondContact O-N 3.3Å; K382-L384 VanDerWaalsContact C-N 3.31Å; K382-L384 PolarHBondContact O-N 3.4Å; K382-E385 IonicContact NZ-OE2 3.21Å; K382-E385 PolarHBondContact NZ-OE2 3.38Å; K382-E385 PolarHBondContact O-N 3.49Å; K382-M386 HydrophobicContact CG-SD 4.4Å; K382-M386 WeakPolarHBondContact O-CG 3.32Å; K382-M386 PolarHBondContact O-N 3.14Å |
| 383 | L | 88.4 | Confident | 78.2 | Confident | 84 Ų | 84 | 97.3 Ų | 97.3 | 44% | 0.44 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 174.8 | -72.8 | 169.6 | 0 | 0 | 0 | 111.5 | V379 V380 M386 H387 | V379-L383 HydrophobicContact CG1-CD1 4Å; V379-L383 WeakPolarHBondContact O-CB 3.37Å; V379-L383 VanDerWaalsContact O-CG 3.32Å; V379-L383 WeakPolarHBondContact O-CG 3.38Å; V379-L383 PolarHBondContact O-N 2.87Å; V380-L383 PolarHBondContact O-N 2.83Å; L383-M386 PolarHBondContact O-N 2.78Å; L383-H387 PolarHBondContact O-N 3.38Å; L383-H387 PolarHBondContact O-ND1 3.39Å |
| 384 | L | 86.4 | Confident | 76.8 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 172.7 | -71.5 | 167.3 | 0 | 0 | 0 | 112.3 | V380 K382 M386 H387 G388 | V380-L384 HydrophobicContact CG1-CD1 3.85Å; V380-L384 HydrophobicContact CG1-CG 4.43Å; V380-L384 WeakPolarHBondContact O-CB 3.28Å; V380-L384 VanDerWaalsContact O-CG 3.29Å; V380-L384 WeakPolarHBondContact O-CG 3.38Å; V380-L384 PolarHBondContact O-N 3.12Å; K382-L384 VanDerWaalsContact C-N 3.31Å; K382-L384 PolarHBondContact O-N 3.4Å; L384-M386 PolarHBondContact O-N 2.82Å; L384-H387 PolarHBondContact O-N 3.15Å; L384-G388 PolarHBondContact O-N 3.12Å |
| 385 | E | 81.8 | Confident | 75.4 | Confident | 60 Ų | 60 | 96.9 Ų | 96.9 | 28% | 0.28 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.7 | -32.8 | 174.2 | -166.3 | -175.2 | -126.6 | 0 | 0 | 111.6 | Q381 K382 K404 | Q381-E385 WeakPolarHBondContact O-CB 3.39Å; Q381-E385 PolarHBondContact O-N 2.72Å; K382-E385 IonicContact NZ-OE2 3.21Å; K382-E385 PolarHBondContact NZ-OE2 3.38Å; K382-E385 PolarHBondContact O-N 3.49Å; E385-K404 IonicContact OE1-NZ 2.62Å; E385-K404 PolarHBondContact OE1-NZ 2.57Å; E385-K404 IonicContact OE2-NZ 2.72Å |
| 386 | M | 75.8 | Confident | 73.9 | Confident | 80 Ų | 80 | 96.9 Ų | 96.9 | 39% | 0.394 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.4 | -50.4 | 174.4 | -70.2 | 173.1 | 65.4 | 0 | 0 | 112.8 | K382 L383 L384 G388 R389 | K382-M386 HydrophobicContact CG-SD 4.4Å; K382-M386 WeakPolarHBondContact O-CG 3.32Å; K382-M386 PolarHBondContact O-N 3.14Å; L383-M386 PolarHBondContact O-N 2.78Å; L384-M386 PolarHBondContact O-N 2.82Å; M386-G388 VanDerWaalsContact C-N 3.29Å; M386-G388 PolarHBondContact O-N 3.23Å; M386-R389 PolarHBondContact O-N 2.87Å; M386-R389 VanDerWaalsContact O-N 3.07Å |
| 387 | H | 75.3 | Confident | 72 | Confident | 148 Ų | 148 | 93 Ų | 93 | 69% | 0.685 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -30.6 | -179.5 | -75.7 | 80.8 | 0 | 0 | 0 | 112.7 | L383 L384 R389 | L383-H387 PolarHBondContact O-N 3.38Å; L383-H387 PolarHBondContact O-ND1 3.39Å; L384-H387 PolarHBondContact O-N 3.15Å; H387-R389 PolarHBondContact O-N 3.12Å |
| 388 | G | 66.3 | Low | 70.4 | Confident | 66 Ų | 66 | 93.3 Ų | 93.3 | 68% | 0.68 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -7.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L384 M386 | L384-G388 PolarHBondContact O-N 3.12Å; M386-G388 VanDerWaalsContact C-N 3.29Å; M386-G388 PolarHBondContact O-N 3.23Å |
| 389 | R | 59.4 | Low | 68.8 | Low | 152 Ų | 152 | 90.5 Ų | 90.5 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -115.4 | 65.5 | 172.3 | -58.9 | -160.4 | -165.3 | -63.4 | -1 | 110.1 | M386 H387 N391 | M386-R389 PolarHBondContact O-N 2.87Å; M386-R389 VanDerWaalsContact O-N 3.07Å; H387-R389 PolarHBondContact O-N 3.12Å; R389-N391 PolarHBondContact O-N 3.32Å |
| 390 | G | 55.6 | Low | 66.9 | Low | 60 Ų | 60 | 90.3 Ų | 90.3 | 62% | 0.619 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.2 | 124 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116 | L392 | G390-L392 PolarHBondContact O-N 3.42Š|
| 391 | N | 56.3 | Low | 65 | Low | 170 Ų | 170 | 89 Ų | 89 | 91% | 0.909 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 13.6 | 167 | -153.3 | 49.9 | 0 | 0 | 0 | 118.3 | R389 G393 | R389-N391 PolarHBondContact O-N 3.32Å; N391-G393 PolarHBondContact O-N 2.92Å |
| 392 | L | 56.4 | Low | 63.1 | Low | 124 Ų | 124 | 89.7 Ų | 89.7 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | trans | -77 | 108.1 | 162.1 | -63.4 | -179.3 | 0 | 0 | 0 | 108 | G390 A396 | G390-L392 PolarHBondContact O-N 3.42Å; L392-A396 HydrophobicContact CB-CB 3.74Å | ||
| 393 | G | 58.7 | Low | 61.4 | Low | 42 Ų | 42 | 91.3 Ų | 91.3 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | trans | -59.2 | 170.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115 | N391 A395 A396 | N391-G393 PolarHBondContact O-N 2.92Å; G393-A395 PolarHBondContact O-N 3.27Å; G393-A396 PolarHBondContact O-N 2.91Å | ||
| 394 | P | 58.8 | Low | 60.2 | Low | 103 Ų | 103 | 95 Ų | 95 | 67% | 0.669 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -48.4 | -34 | -162 | -33.5 | 36.6 | 0 | 0 | 0 | 117 | A396 S397 M398 | P394-A396 PolarHBondContact O-N 3.45Å; P394-S397 WeakPolarHBondContact CA-OG 3.23Å; P394-S397 PolarHBondContact O-N 3.28Å; P394-S397 PolarHBondContact O-OG 3.09Å; P394-M398 PolarHBondContact O-N 3.13Å; P394-M398 VanDerWaalsContact O-N 3.13Å |
| 395 | A | 55.8 | Low | 59.4 | Low | 77 Ų | 77 | 96.6 Ų | 96.6 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.4 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G393 M398 A399 | G393-A395 PolarHBondContact O-N 3.27Å; A395-M398 PolarHBondContact O-N 3.45Å; A395-A399 WeakPolarHBondContact O-CB 3.48Å; A395-A399 PolarHBondContact O-N 2.99Å |
| 396 | A | 55.1 | Low | 59.4 | Low | 38 Ų | 38 | 98.3 Ų | 98.3 | 31% | 0.314 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.1 | -34.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L392 G393 P394 M398 A399 S400 | L392-A396 HydrophobicContact CB-CB 3.74Å; G393-A396 PolarHBondContact O-N 2.91Å; P394-A396 PolarHBondContact O-N 3.45Å; A396-M398 VanDerWaalsContact C-N 3.32Å; A396-A399 PolarHBondContact O-N 2.95Å; A396-S400 WeakPolarHBondContact O-CB 3.25Å; A396-S400 PolarHBondContact O-N 3Å; A396-S400 PolarHBondContact O-OG 3.37Å |
| 397 | S | 52.5 | Low | 60 | Low | 26 Ų | 26 | 100.6 Ų | 100.6 | 18% | 0.182 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -66.2 | -32.2 | 172 | 45.6 | 0 | 0 | 0 | 0 | 112.8 | P394 S401 | P394-S397 WeakPolarHBondContact CA-OG 3.23Å; P394-S397 PolarHBondContact O-N 3.28Å; P394-S397 PolarHBondContact O-OG 3.09Å; S397-S401 WeakPolarHBondContact O-CB 3.27Å; S397-S401 PolarHBondContact O-N 2.93Å; S397-S401 VanDerWaalsContact O-N 3.1Å; S397-S401 PolarHBondContact O-OG 3.18Å |
| 398 | M | 54.9 | Low | 60.9 | Low | 138 Ų | 138 | 96.9 Ų | 96.9 | 68% | 0.68 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75.8 | -40.5 | 173.5 | -66.8 | -157 | -60 | 0 | 0 | 112.3 | P394 A395 A396 S400 S401 | P394-M398 PolarHBondContact O-N 3.13Å; P394-M398 VanDerWaalsContact O-N 3.13Å; A395-M398 PolarHBondContact O-N 3.45Å; A396-M398 VanDerWaalsContact C-N 3.32Å; M398-S400 VanDerWaalsContact C-N 3.25Å; M398-S400 PolarHBondContact O-N 3.37Å; M398-S401 WeakPolarHBondContact CA-OG 3.46Å; M398-S401 CarbonylContact O-C 3.47Å; M398-S401 PolarHBondContact O-N 3.3Å; M398-S401 PolarHBondContact O-OG 2.62Å |
| 399 | A | 53.2 | Low | 62.3 | Low | 79 Ų | 79 | 93.8 Ų | 93.8 | 65% | 0.653 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.6 | -23.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A395 A396 | A395-A399 WeakPolarHBondContact O-CB 3.48Å; A395-A399 PolarHBondContact O-N 2.99Å; A396-A399 PolarHBondContact O-N 2.95Å |
| 400 | S | 49.9 | Very low | 64 | Low | 79 Ų | 79 | 88.5 Ų | 88.5 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -97.4 | -9.7 | 174.4 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | A396 M398 N402 | A396-S400 WeakPolarHBondContact O-CB 3.25Å; A396-S400 PolarHBondContact O-N 3Å; A396-S400 PolarHBondContact O-OG 3.37Å; M398-S400 VanDerWaalsContact C-N 3.25Å; M398-S400 PolarHBondContact O-N 3.37Å; S400-N402 VanDerWaalsContact C-N 3.32Å; S400-N402 PolarHBondContact O-N 2.89Å |
| 401 | S | 50.9 | Low | 65.9 | Low | 53 Ų | 53 | 91.4 Ų | 91.4 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | trans | -92 | 62.2 | 161.4 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | S397 M398 | S397-S401 WeakPolarHBondContact O-CB 3.27Å; S397-S401 PolarHBondContact O-N 2.93Å; S397-S401 VanDerWaalsContact O-N 3.1Å; S397-S401 PolarHBondContact O-OG 3.18Å; M398-S401 WeakPolarHBondContact CA-OG 3.46Å; M398-S401 CarbonylContact O-C 3.47Å; M398-S401 PolarHBondContact O-N 3.3Å; M398-S401 PolarHBondContact O-OG 2.62Å | ||
| 402 | N | 48.2 | Very low | 67.7 | Low | 129 Ų | 129 | 86.6 Ų | 86.6 | 69% | 0.69 | 52% | 0.518 | S | S | * | . | trans | -49.2 | 139.5 | 152.5 | -91.4 | -5.6 | 0 | 0 | 0 | 108 | S400 K404 | S400-N402 VanDerWaalsContact C-N 3.32Å; S400-N402 PolarHBondContact O-N 2.89Å; N402-K404 PolarHBondContact O-N 2.77Å | ||
| 403 | P | 50.2 | Low | 69.6 | Low | 107 Ų | 107 | 87.6 Ų | 87.6 | 70% | 0.695 | 52% | 0.517 | S | S | * | . | trans | -54.5 | 122.7 | 167.9 | 25.4 | -32.7 | 0 | 0 | 0 | 107.1 | D405 | P403-D405 PolarHBondContact O-N 3.13Š| ||
| 404 | K | 61.9 | Low | 71.2 | Confident | 161 Ų | 161 | 87.7 Ų | 87.7 | 70% | 0.7 | 51% | 0.51 | S | S | * | . | trans | -63.1 | 107.6 | 178.9 | -76.6 | 157.2 | -178.5 | 161.9 | 0 | 106.1 | E385 N402 | E385-K404 IonicContact OE1-NZ 2.62Å; E385-K404 PolarHBondContact OE1-NZ 2.57Å; E385-K404 IonicContact OE2-NZ 2.72Å; N402-K404 PolarHBondContact O-N 2.77Å | ||
| 405 | D | 69.4 | Low | 72.9 | Confident | 136 Ų | 136 | 88.1 Ų | 88.1 | 73% | 0.727 | 51% | 0.506 | S | S | * | . | trans | -46.2 | 133.9 | -166.2 | -78.2 | -52.9 | 0 | 0 | 0 | 111.1 | P403 Y407 | P403-D405 PolarHBondContact O-N 3.13Å; D405-Y407 PolarHBondContact O-N 2.85Å | ||
| 406 | P | 82.7 | Confident | 74.6 | Confident | 97 Ų | 97 | 92 Ų | 92 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | trans | -55.7 | 114 | -173.7 | 22 | -32.7 | 0 | 0 | 0 | 109.7 | T408 | P406-T408 PolarHBondContact O-N 3.2Å; P406-T408 VanDerWaalsContact O-N 3.1Å; P406-T408 PolarHBondContact O-OG1 3.37Å; P406-T408 VanDerWaalsContact O-OG1 3.1Å | ||
| 407 | Y | 88.3 | Confident | 76.4 | Confident | 127 Ų | 127 | 91.4 Ų | 91.4 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | trans | -50.9 | 122.5 | -173.8 | -74.8 | -59.3 | 0 | 0 | 0 | 109.9 | D405 W420 I428 | D405-Y407 PolarHBondContact O-N 2.85Å; Y407-W420 HydrophobicContact CD2-CB 4.27Å; Y407-W420 AromaticContact CD2-CD1 3.69Å; Y407-W420 AromaticContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CG-CD2 4.35Å; Y407-W420 HydrophobicContact CG-CG 4.07Å; Y407-W420 WeakPolarHBondContact O-CH2 3.25Å; Y407-W420 WeakPolarHBondContact O-CZ2 3.33Å; Y407-I428 HydrophobicContact CD1-CD1 4.38Å; Y407-I428 HydrophobicContact CD1-CG1 4.09Å; Y407-I428 HydrophobicContact CD1-CG2 4.06Å; Y407-I428 HydrophobicContact CE1-CD1 4.25Å; Y407-I428 HydrophobicContact CE1-CG1 4.32Å; Y407-I428 HydrophobicContact CG-CG2 4.32Å | ||
| 408 | T | 94.3 | Very high | 78 | Confident | 71 Ų | 71 | 95.4 Ų | 95.4 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | trans | -113.6 | 129.3 | -179.5 | -62.8 | 0 | 0 | 0 | 0 | 108.9 | P406 A410 K413 T414 | P406-T408 PolarHBondContact O-N 3.2Å; P406-T408 VanDerWaalsContact O-N 3.1Å; P406-T408 PolarHBondContact O-OG1 3.37Å; P406-T408 VanDerWaalsContact O-OG1 3.1Å; T408-A410 PolarHBondContact O-N 3.31Å; T408-K413 HydrophobicContact CG2-CB 4.43Å; T408-T414 CarbonylContact C-O 3.58Å; T408-T414 WeakPolarHBondContact CA-O 3.48Å | ||
| 409 | C | 95.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 94.4 Ų | 94.4 | 0% | 0 | 52% | 0.518 | C | S | . | . | trans | -62.8 | 119.4 | -179.5 | -179 | 0 | 0 | 0 | 0 | 110.5 | Q411 K413 T414 W420 C430 C433 | C409-Q411 PolarHBondContact O-N 3.31Å; C409-K413 VanDerWaalsContact O-CA 3.24Å; C409-K413 WeakPolarHBondContact O-CA 3.2Å; C409-K413 PolarHBondContact O-N 3.29Å; C409-T414 HydrophobicContact CB-CG2 3.84Å; C409-T414 PolarHBondContact N-O 3.1Å; C409-W420 HydrophobicContact CB-CH2 3.93Å; C409-W420 HydrophobicContact CB-CZ3 3.76Å; C409-C430 HydrophobicContact CB-CB 4Å; C409-C430 PolarHBondContact SG-N 3.27Å; C409-C430 VanDerWaalsContact SG-N 3.38Å; C409-C433 VanDerWaalsContact SG-SG 3.66Å | ||
| 410 | A | 95.2 | Very high | 81.2 | Confident | 41 Ų | 41 | 93.7 Ų | 93.7 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T408 K413 T427 I428 L429 | T408-A410 PolarHBondContact O-N 3.31Å; A410-K413 PolarHBondContact O-NZ 2.91Å; A410-T427 HydrophobicContact CB-CG2 3.4Å; A410-I428 WeakPolarHBondContact CB-O 3.48Å; A410-I428 PolarHBondContact N-O 3.23Å; A410-L429 HydrophobicContact CB-CD2 4.14Å |
| 411 | Q | 95 | Very high | 83.1 | Confident | 122 Ų | 122 | 92.4 Ų | 92.4 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -60.2 | -176.9 | -70.9 | -79.5 | -22.7 | 0 | 0 | 113.4 | C409 L429 C433 | C409-Q411 PolarHBondContact O-N 3.31Å; Q411-L429 HydrophobicContact CB-CD2 4.01Å; Q411-L429 HydrophobicContact CG-CD2 3.42Å; Q411-L429 VanDerWaalsContact CG-CD2 3.42Å; Q411-C433 HydrophobicContact CB-CB 4.31Å |
| 412 | C | 95.5 | Very high | 85 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 46% | 0.459 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -0 | -174.3 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | T414 | C412-T414 PolarHBondContact O-N 2.98Å; C412-T414 VanDerWaalsContact O-N 3.07Å; C412-T414 VanDerWaalsContact SG-CG2 3.56Å |
| 413 | K | 94.9 | Very high | 87 | Confident | 145 Ų | 145 | 95.3 Ų | 95.3 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | trans | 57.2 | 16.1 | -179.3 | -48.9 | -52.8 | -171.2 | -167.3 | 0 | 116.1 | T408 C409 A410 | T408-K413 HydrophobicContact CG2-CB 4.43Å; C409-K413 VanDerWaalsContact O-CA 3.24Å; C409-K413 WeakPolarHBondContact O-CA 3.2Å; C409-K413 PolarHBondContact O-N 3.29Å; A410-K413 PolarHBondContact O-NZ 2.91Å | ||
| 414 | T | 94.2 | Very high | 88.5 | Confident | 44 Ų | 44 | 100.8 Ų | 100.8 | 27% | 0.27 | 50% | 0.496 | S | S | . | . | trans | -65.1 | 138.9 | 166.2 | -163.8 | 0 | 0 | 0 | 0 | 110.2 | T408 C409 C412 F416 W420 C430 | T408-T414 CarbonylContact C-O 3.58Å; T408-T414 WeakPolarHBondContact CA-O 3.48Å; C409-T414 HydrophobicContact CB-CG2 3.84Å; C409-T414 PolarHBondContact N-O 3.1Å; C412-T414 PolarHBondContact O-N 2.98Å; C412-T414 VanDerWaalsContact O-N 3.07Å; C412-T414 VanDerWaalsContact SG-CG2 3.56Å; T414-F416 VanDerWaalsContact CG2-O 3.32Å; T414-F416 WeakPolarHBondContact CG2-O 3.26Å; T414-F416 PolarHBondContact OG1-N 3.5Å; T414-F416 PolarHBondContact OG1-O 3.16Å; T414-F416 VanDerWaalsContact OG1-O 3.12Å; T414-W420 HydrophobicContact CG2-CH2 4.18Å; T414-W420 WeakPolarHBondContact O-CH2 3.48Å; T414-C430 HydrophobicContact CG2-CB 3.86Å | ||
| 415 | D | 93.9 | Very high | 89.7 | Confident | 113 Ų | 113 | 97.1 Ų | 97.1 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -90.5 | -14.5 | 171.2 | 58.8 | -22.7 | 0 | 0 | 0 | 112.5 | W420 | D415-W420 WeakPolarHBondContact O-CZ2 3.42Š|
| 416 | F | 91.7 | Very high | 90.5 | Very high | 159 Ų | 159 | 92.2 Ų | 92.2 | 70% | 0.697 | 48% | 0.477 | S | S | * | . | trans | -114.7 | 135.6 | -179.9 | -179.9 | -101.6 | 0 | 0 | 0 | 113.1 | T414 | T414-F416 VanDerWaalsContact CG2-O 3.32Å; T414-F416 WeakPolarHBondContact CG2-O 3.26Å; T414-F416 PolarHBondContact OG1-N 3.5Å; T414-F416 PolarHBondContact OG1-O 3.16Å; T414-F416 VanDerWaalsContact OG1-O 3.12Å | ||
| 417 | T | 91.9 | Very high | 91 | Very high | 25 Ų | 25 | 89.8 Ų | 89.8 | 15% | 0.153 | 46% | 0.46 | C | S | . | . | trans | -162.3 | 160.3 | 166.1 | -163.1 | 0 | 0 | 0 | 0 | 110.3 | R419 W420 C430 D431 | T417-R419 WeakPolarHBondContact CG2-O 3.48Å; T417-W420 HydrophobicContact CG2-CD2 3.45Å; T417-W420 VanDerWaalsContact CG2-CD2 3.45Å; T417-W420 HydrophobicContact CG2-CE3 3.78Å; T417-W420 HydrophobicContact CG2-CG 3.92Å; T417-W420 HydrophobicContact CG2-CH2 3.89Å; T417-W420 HydrophobicContact CG2-CZ2 3.55Å; T417-W420 HydrophobicContact CG2-CZ3 4.01Å; T417-C430 HydrophobicContact CG2-CB 3.93Å; T417-C430 WeakPolarHBondContact OG1-CB 3.43Å; T417-D431 PolarHBondContact OG1-N 3.06Å | ||
| 418 | S | 86.4 | Confident | 91.2 | Very high | 109 Ų | 109 | 85.5 Ų | 85.5 | 76% | 0.762 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -69 | -30.2 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 419 | R | 84.7 | Confident | 91.3 | Very high | 118 Ų | 118 | 82.1 Ų | 82.1 | 45% | 0.445 | 43% | 0.425 | S | S | . | . | trans | -150 | 118.9 | 176.4 | -165.4 | 173.8 | -173.8 | -144.2 | 0.3 | 112.3 | E358 N360 T417 | E358-R419 IonicContact OE2-NH1 2.65Å; E358-R419 PolarHBondContact OE2-NH1 3.4Å; E358-R419 VanDerWaalsContact OE2-NH1 3.11Å; N360-R419 WeakPolarHBondContact OD1-CD 3.41Å; N360-R419 VanDerWaalsContact OD1-CZ 3.23Å; N360-R419 PolarHBondContact OD1-NE 3.44Å; N360-R419 PolarHBondContact OD1-NH1 3.28Å; T417-R419 WeakPolarHBondContact CG2-O 3.48Å | ||
| 420 | W | 91.7 | Very high | 91.2 | Very high | 64 Ų | 64 | 82.3 Ų | 82.3 | 24% | 0.242 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 138.1 | 171.2 | -72.4 | 112 | 0 | 0 | 0 | 111.1 | Y407 C409 T414 D415 T417 I428 C430 | Y407-W420 HydrophobicContact CD2-CB 4.27Å; Y407-W420 AromaticContact CD2-CD1 3.69Å; Y407-W420 AromaticContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CD2-CG 3.91Å; Y407-W420 HydrophobicContact CG-CD2 4.35Å; Y407-W420 HydrophobicContact CG-CG 4.07Å; Y407-W420 WeakPolarHBondContact O-CH2 3.25Å; Y407-W420 WeakPolarHBondContact O-CZ2 3.33Å; C409-W420 HydrophobicContact CB-CH2 3.93Å; C409-W420 HydrophobicContact CB-CZ3 3.76Å; T414-W420 HydrophobicContact CG2-CH2 4.18Å; T414-W420 WeakPolarHBondContact O-CH2 3.48Å; D415-W420 WeakPolarHBondContact O-CZ2 3.42Å; T417-W420 HydrophobicContact CG2-CD2 3.45Å; T417-W420 VanDerWaalsContact CG2-CD2 3.45Å; T417-W420 HydrophobicContact CG2-CE3 3.78Å; T417-W420 HydrophobicContact CG2-CG 3.92Å; T417-W420 HydrophobicContact CG2-CH2 3.89Å; T417-W420 HydrophobicContact CG2-CZ2 3.55Å; T417-W420 HydrophobicContact CG2-CZ3 4.01Å; W420-I428 HydrophobicContact CD2-CG2 4.14Å; W420-I428 HydrophobicContact CE3-CG2 3.44Å; W420-I428 VanDerWaalsContact CE3-CG2 3.44Å; W420-I428 HydrophobicContact CZ3-CG2 4.03Å; W420-C430 HydrophobicContact CE3-CB 4.47Å; W420-C430 HydrophobicContact CH2-CB 3.97Å; W420-C430 HydrophobicContact CZ3-CB 3.73Å |
| 421 | R | 89.6 | Confident | 91.1 | Very high | 51 Ų | 51 | 82.3 Ų | 82.3 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.3 | 175.3 | -50.9 | -160 | -165.1 | -142.8 | -2.8 | 111.4 | E358 I428 L429 D431 M434 | E358-R421 IonicContact OE1-CZ 3.29Å; E358-R421 IonicContact OE1-NH1 2.82Å; E358-R421 PolarHBondContact OE1-NH1 2.76Å; E358-R421 IonicContact OE1-NH2 2.75Å; E358-R421 IonicContact OE2-CZ 2.68Å; E358-R421 IonicContact OE2-NH1 3.27Å; E358-R421 PolarHBondContact OE2-NH1 3.39Å; E358-R421 IonicContact OE2-NH2 3.03Å; E358-R421 PolarHBondContact OE2-NH2 3.04Å; R421-I428 WeakPolarHBondContact O-CA 3.32Å; R421-L429 PolarHBondContact N-O 3.34Å; R421-L429 PolarHBondContact O-N 2.9Å; R421-D431 IonicContact CZ-OD1 2.69Å; R421-D431 VanDerWaalsContact CZ-OD1 3.29Å; R421-D431 IonicContact NE-OD1 2.66Å; R421-D431 PolarHBondContact NE-OD1 2.85Å; R421-D431 IonicContact NH2-OD1 2.65Å; R421-D431 PolarHBondContact NH2-OD1 3.44Å; R421-M434 HydrophobicContact CB-CG 3.87Å; R421-M434 HydrophobicContact CB-SD 3.99Å; R421-M434 HydrophobicContact CG-CG 4.01Å |
| 422 | K | 90.7 | Very high | 91.1 | Very high | 156 Ų | 156 | 83.2 Ų | 83.2 | 68% | 0.678 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.9 | 174.1 | -165.1 | 165.4 | -174.9 | 172.2 | 0 | 109.5 | G426 T427 I428 | K422-G426 VanDerWaalsContact CE-O 3.29Å; K422-G426 WeakPolarHBondContact CE-O 3.42Å; K422-G426 WeakPolarHBondContact CG-O 3.44Å; K422-T427 WeakPolarHBondContact CA-O 3.4Å; K422-I428 HydrophobicContact CB-CD1 3.78Å; K422-I428 HydrophobicContact CD-CD1 4.07Å; K422-I428 HydrophobicContact CG-CD1 3.84Å |
| 423 | E | 88.7 | Confident | 91 | Very high | 88 Ų | 88 | 80.9 Ų | 80.9 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | trans | -73.3 | 162.8 | 172.9 | -173.1 | 162.6 | -140.5 | 0 | 0 | 110.7 | A425 G426 T427 | E423-A425 PolarHBondContact O-N 3.04Å; E423-A425 VanDerWaalsContact O-N 3.1Å; E423-G426 WeakPolarHBondContact O-CA 3.32Å; E423-G426 PolarHBondContact O-N 3.15Å; E423-T427 PolarHBondContact N-O 3.33Å | ||
| 424 | K | 82.8 | Confident | 90.9 | Very high | 222 Ų | 222 | 76.2 Ų | 76.2 | 97% | 0.965 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28.1 | 178.3 | -64.1 | -176.6 | 179.1 | -177.4 | 0 | 113.5 | G426 | K424-G426 PolarHBondContact O-N 2.68Š|
| 425 | A | 86.1 | Confident | 90.8 | Very high | 84 Ų | 84 | 76.3 Ų | 76.3 | 69% | 0.694 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E423 T427 | E423-A425 PolarHBondContact O-N 3.04Å; E423-A425 VanDerWaalsContact O-N 3.1Å; A425-T427 VanDerWaalsContact C-N 3.26Å; A425-T427 PolarHBondContact O-N 3.03Å |
| 426 | G | 87 | Confident | 90.7 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 85.4 | -13.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K422 E423 K424 I428 | K422-G426 VanDerWaalsContact CE-O 3.29Å; K422-G426 WeakPolarHBondContact CE-O 3.42Å; K422-G426 WeakPolarHBondContact CG-O 3.44Å; E423-G426 WeakPolarHBondContact O-CA 3.32Å; E423-G426 PolarHBondContact O-N 3.15Å; K424-G426 PolarHBondContact O-N 2.68Å; G426-I428 PolarHBondContact O-N 2.98Å |
| 427 | T | 92.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 67.6 Ų | 67.6 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | trans | -55.9 | 128.7 | 178.4 | -44.3 | 0 | 0 | 0 | 0 | 112.5 | A410 K422 E423 A425 L429 | A410-T427 HydrophobicContact CB-CG2 3.4Å; K422-T427 WeakPolarHBondContact CA-O 3.4Å; E423-T427 PolarHBondContact N-O 3.33Å; A425-T427 VanDerWaalsContact C-N 3.26Å; A425-T427 PolarHBondContact O-N 3.03Å; T427-L429 HydrophobicContact CG2-CD2 4Å; T427-L429 HydrophobicContact CG2-CG 4.15Å | ||
| 428 | I | 93.6 | Very high | 90.6 | Very high | 37 Ų | 37 | 71 Ų | 71 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.1 | 171.5 | -59.6 | -64.2 | 0 | 0 | 0 | 110.2 | Y407 A410 W420 R421 K422 G426 | Y407-I428 HydrophobicContact CD1-CD1 4.38Å; Y407-I428 HydrophobicContact CD1-CG1 4.09Å; Y407-I428 HydrophobicContact CD1-CG2 4.06Å; Y407-I428 HydrophobicContact CE1-CD1 4.25Å; Y407-I428 HydrophobicContact CE1-CG1 4.32Å; Y407-I428 HydrophobicContact CG-CG2 4.32Å; A410-I428 WeakPolarHBondContact CB-O 3.48Å; A410-I428 PolarHBondContact N-O 3.23Å; W420-I428 HydrophobicContact CD2-CG2 4.14Å; W420-I428 HydrophobicContact CE3-CG2 3.44Å; W420-I428 VanDerWaalsContact CE3-CG2 3.44Å; W420-I428 HydrophobicContact CZ3-CG2 4.03Å; R421-I428 WeakPolarHBondContact O-CA 3.32Å; K422-I428 HydrophobicContact CB-CD1 3.78Å; K422-I428 HydrophobicContact CD-CD1 4.07Å; K422-I428 HydrophobicContact CG-CD1 3.84Å; G426-I428 PolarHBondContact O-N 2.98Å |
| 429 | L | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.7 | -179.3 | -63.5 | 179 | 0 | 0 | 0 | 111 | A410 Q411 R421 T427 C433 M434 | A410-L429 HydrophobicContact CB-CD2 4.14Å; Q411-L429 HydrophobicContact CB-CD2 4.01Å; Q411-L429 HydrophobicContact CG-CD2 3.42Å; Q411-L429 VanDerWaalsContact CG-CD2 3.42Å; R421-L429 PolarHBondContact N-O 3.34Å; R421-L429 PolarHBondContact O-N 2.9Å; T427-L429 HydrophobicContact CG2-CD2 4Å; T427-L429 HydrophobicContact CG2-CG 4.15Å; L429-C433 HydrophobicContact CB-CB 4.5Å; L429-M434 HydrophobicContact CB-CG 3.75Å; L429-M434 HydrophobicContact CB-SD 3.79Å; L429-M434 HydrophobicContact CD1-SD 3.72Å; L429-M434 HydrophobicContact CG-SD 4.31Å |
| 430 | C | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.027 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 157.6 | 170.5 | 68.8 | 0 | 0 | 0 | 0 | 111 | C409 T414 T417 W420 Q432 C433 M434 | C409-C430 HydrophobicContact CB-CB 4Å; C409-C430 PolarHBondContact SG-N 3.27Å; C409-C430 VanDerWaalsContact SG-N 3.38Å; T414-C430 HydrophobicContact CG2-CB 3.86Å; T417-C430 HydrophobicContact CG2-CB 3.93Å; T417-C430 WeakPolarHBondContact OG1-CB 3.43Å; W420-C430 HydrophobicContact CE3-CB 4.47Å; W420-C430 HydrophobicContact CH2-CB 3.97Å; W420-C430 HydrophobicContact CZ3-CB 3.73Å; C430-Q432 PolarHBondContact O-N 3.44Å; C430-C433 PolarHBondContact O-N 2.93Å; C430-C433 VanDerWaalsContact SG-SG 3.65Å; C430-M434 PolarHBondContact O-N 3.11Å |
| 431 | D | 92.8 | Very high | 91.1 | Very high | 41 Ų | 41 | 72.5 Ų | 72.5 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.3 | -34.1 | -173.8 | -165.7 | 75 | 0 | 0 | 0 | 113.2 | T417 R421 M434 S435 | T417-D431 PolarHBondContact OG1-N 3.06Å; R421-D431 IonicContact CZ-OD1 2.69Å; R421-D431 VanDerWaalsContact CZ-OD1 3.29Å; R421-D431 IonicContact NE-OD1 2.66Å; R421-D431 PolarHBondContact NE-OD1 2.85Å; R421-D431 IonicContact NH2-OD1 2.65Å; R421-D431 PolarHBondContact NH2-OD1 3.44Å; D431-M434 PolarHBondContact O-N 2.93Å; D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.28Å; D431-S435 PolarHBondContact O-N 3.1Å; D431-S435 PolarHBondContact O-OG 3.03Å |
| 432 | Q | 93.9 | Very high | 91 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 66% | 0.659 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.7 | -38 | 174.7 | -177 | 58.6 | 97.1 | 0 | 0 | 112.7 | C430 S436 | C430-Q432 PolarHBondContact O-N 3.44Å; Q432-S436 WeakPolarHBondContact O-CB 3.42Å; Q432-S436 PolarHBondContact O-N 3.47Å |
| 433 | C | 94.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 71.9 Ų | 71.9 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 175 | -79.5 | 0 | 0 | 0 | 0 | 111.9 | C409 Q411 L429 C430 S436 N437 | C409-C433 VanDerWaalsContact SG-SG 3.66Å; Q411-C433 HydrophobicContact CB-CB 4.31Å; L429-C433 HydrophobicContact CB-CB 4.5Å; C430-C433 PolarHBondContact O-N 2.93Å; C430-C433 VanDerWaalsContact SG-SG 3.65Å; C433-S436 PolarHBondContact O-N 2.69Å; C433-N437 WeakPolarHBondContact O-CB 3.5Å; C433-N437 PolarHBondContact O-N 3.27Å |
| 434 | M | 92.8 | Very high | 91.1 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 23% | 0.227 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.7 | -54.4 | 171.8 | -74.6 | -68.5 | -46.3 | 0 | 0 | 111.3 | R421 L429 C430 D431 S436 N437 Q438 | R421-M434 HydrophobicContact CB-CG 3.87Å; R421-M434 HydrophobicContact CB-SD 3.99Å; R421-M434 HydrophobicContact CG-CG 4.01Å; L429-M434 HydrophobicContact CB-CG 3.75Å; L429-M434 HydrophobicContact CB-SD 3.79Å; L429-M434 HydrophobicContact CD1-SD 3.72Å; L429-M434 HydrophobicContact CG-SD 4.31Å; C430-M434 PolarHBondContact O-N 3.11Å; D431-M434 PolarHBondContact O-N 2.93Å; M434-S436 VanDerWaalsContact C-N 3.31Å; M434-S436 PolarHBondContact O-N 3.36Å; M434-N437 PolarHBondContact O-N 2.9Å; M434-Q438 WeakPolarHBondContact O-CB 3.49Å; M434-Q438 PolarHBondContact O-N 2.78Å |
| 435 | S | 90.9 | Very high | 91.4 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 178.5 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | D431 K439 | D431-S435 VanDerWaalsContact O-CB 3.3Å; D431-S435 WeakPolarHBondContact O-CB 3.28Å; D431-S435 PolarHBondContact O-N 3.1Å; D431-S435 PolarHBondContact O-OG 3.03Å; S435-K439 VanDerWaalsContact O-CB 3.23Å; S435-K439 WeakPolarHBondContact O-CB 3.35Å; S435-K439 PolarHBondContact O-N 2.65Å |
| 436 | S | 92.3 | Very high | 91.4 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 174.9 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | Q432 C433 M434 K439 K440 | Q432-S436 WeakPolarHBondContact O-CB 3.42Å; Q432-S436 PolarHBondContact O-N 3.47Å; C433-S436 PolarHBondContact O-N 2.69Å; M434-S436 VanDerWaalsContact C-N 3.31Å; M434-S436 PolarHBondContact O-N 3.36Å; S436-K439 PolarHBondContact O-N 3.17Å; S436-K440 VanDerWaalsContact O-CG 3.27Å; S436-K440 WeakPolarHBondContact O-CG 3.29Å; S436-K440 PolarHBondContact O-N 3.44Å |
| 437 | N | 92.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 22% | 0.219 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 178.9 | -75.2 | -1.8 | 0 | 0 | 0 | 112.1 | C433 M434 K439 K440 A441 | C433-N437 WeakPolarHBondContact O-CB 3.5Å; C433-N437 PolarHBondContact O-N 3.27Å; M434-N437 PolarHBondContact O-N 2.9Å; N437-K439 PolarHBondContact O-N 3.41Å; N437-K440 PolarHBondContact O-N 3.27Å; N437-K440 PolarHBondContact OD1-NZ 2.9Å; N437-A441 WeakPolarHBondContact O-CB 3.45Å; N437-A441 PolarHBondContact O-N 3.43Å |
| 438 | Q | 89.9 | Confident | 91.6 | Very high | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173.2 | -167.7 | -179.2 | 36.3 | 0 | 0 | 111.5 | M434 K440 A441 L442 | M434-Q438 WeakPolarHBondContact O-CB 3.49Å; M434-Q438 PolarHBondContact O-N 2.78Å; Q438-K440 PolarHBondContact O-N 3.04Å; Q438-A441 PolarHBondContact O-N 3.25Å; Q438-L442 HydrophobicContact CG-CD1 4.3Å; Q438-L442 WeakPolarHBondContact O-CG 3.38Å; Q438-L442 PolarHBondContact O-N 2.84Å |
| 439 | K | 89.9 | Confident | 91.4 | Very high | 143 Ų | 143 | 70.4 Ų | 70.4 | 62% | 0.622 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.7 | -36.7 | 175.5 | -171.7 | 172 | -174.3 | 171.9 | 0 | 112.6 | S435 S436 N437 K443 | S435-K439 VanDerWaalsContact O-CB 3.23Å; S435-K439 WeakPolarHBondContact O-CB 3.35Å; S435-K439 PolarHBondContact O-N 2.65Å; S436-K439 PolarHBondContact O-N 3.17Å; N437-K439 PolarHBondContact O-N 3.41Å; K439-K443 WeakPolarHBondContact O-CB 3.24Å; K439-K443 WeakPolarHBondContact O-CG 3.42Å; K439-K443 PolarHBondContact O-N 3.31Å; K439-K443 VanDerWaalsContact O-N 3.14Å |
| 440 | K | 92.3 | Very high | 91 | Very high | 121 Ų | 121 | 72.9 Ų | 72.9 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 171.8 | -71.5 | 167.7 | -169.4 | 170.2 | 0 | 111.3 | S436 N437 Q438 K443 A444 | S436-K440 VanDerWaalsContact O-CG 3.27Å; S436-K440 WeakPolarHBondContact O-CG 3.29Å; S436-K440 PolarHBondContact O-N 3.44Å; N437-K440 PolarHBondContact O-N 3.27Å; N437-K440 PolarHBondContact OD1-NZ 2.9Å; Q438-K440 PolarHBondContact O-N 3.04Å; K440-K443 PolarHBondContact O-N 2.72Å; K440-A444 WeakPolarHBondContact O-CB 3.22Å; K440-A444 PolarHBondContact O-N 2.92Å |
| 441 | A | 90.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 79.4 Ų | 79.4 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N437 Q438 K443 A444 E445 | N437-A441 WeakPolarHBondContact O-CB 3.45Å; N437-A441 PolarHBondContact O-N 3.43Å; Q438-A441 PolarHBondContact O-N 3.25Å; A441-K443 VanDerWaalsContact C-N 3.33Å; A441-K443 PolarHBondContact O-N 2.99Å; A441-A444 PolarHBondContact O-N 3.47Å; A441-E445 VanDerWaalsContact O-CB 3.27Å; A441-E445 WeakPolarHBondContact O-CB 3.37Å; A441-E445 PolarHBondContact O-N 2.82Å |
| 442 | L | 87.4 | Confident | 90.7 | Very high | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.1 | -69.3 | 171.3 | 0 | 0 | 0 | 112.7 | P352 P355 Q438 H446 | P352-L442 HydrophobicContact CB-CB 4.48Å; P355-L442 HydrophobicContact CG-CD1 4.46Å; Q438-L442 HydrophobicContact CG-CD1 4.3Å; Q438-L442 WeakPolarHBondContact O-CG 3.38Å; Q438-L442 PolarHBondContact O-N 2.84Å; L442-H446 WeakPolarHBondContact O-CB 3.41Å; L442-H446 PolarHBondContact O-N 3.08Å |
| 443 | K | 89.6 | Confident | 90.3 | Very high | 140 Ų | 140 | 73.5 Ų | 73.5 | 61% | 0.609 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.7 | -46.6 | 172.5 | -81.7 | -172.7 | 169.5 | -159.3 | 0 | 112.1 | K439 K440 A441 E445 H446 T447 | K439-K443 WeakPolarHBondContact O-CB 3.24Å; K439-K443 WeakPolarHBondContact O-CG 3.42Å; K439-K443 PolarHBondContact O-N 3.31Å; K439-K443 VanDerWaalsContact O-N 3.14Å; K440-K443 PolarHBondContact O-N 2.72Å; A441-K443 VanDerWaalsContact C-N 3.33Å; A441-K443 PolarHBondContact O-N 2.99Å; K443-E445 VanDerWaalsContact C-N 3.33Å; K443-E445 PolarHBondContact O-N 3.49Å; K443-H446 PolarHBondContact O-N 3.19Å; K443-T447 WeakPolarHBondContact O-CB 3.41Å; K443-T447 PolarHBondContact O-N 3.35Å; K443-T447 PolarHBondContact O-OG1 2.89Å |
| 444 | A | 91.6 | Very high | 89.9 | Confident | 60 Ų | 60 | 78.1 Ų | 78.1 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K440 A441 T447 N448 | K440-A444 WeakPolarHBondContact O-CB 3.22Å; K440-A444 PolarHBondContact O-N 2.92Å; A441-A444 PolarHBondContact O-N 3.47Å; A444-T447 PolarHBondContact O-N 3.41Å; A444-N448 VanDerWaalsContact O-CB 3.29Å; A444-N448 WeakPolarHBondContact O-CB 3.44Å; A444-N448 PolarHBondContact O-N 3.26Å |
| 445 | E | 89.3 | Confident | 89.8 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65 | -48.3 | 177 | -164.7 | -88.7 | 154.7 | 0 | 0 | 111.3 | A441 K443 N448 R449 | A441-E445 VanDerWaalsContact O-CB 3.27Å; A441-E445 WeakPolarHBondContact O-CB 3.37Å; A441-E445 PolarHBondContact O-N 2.82Å; K443-E445 VanDerWaalsContact C-N 3.33Å; K443-E445 PolarHBondContact O-N 3.49Å; E445-N448 WeakPolarHBondContact O-CB 3.26Å; E445-N448 PolarHBondContact O-N 2.61Å; E445-R449 WeakPolarHBondContact O-CG 3.15Å; E445-R449 PolarHBondContact O-N 2.91Å; E445-R449 IonicContact OE1-CZ 2.87Å; E445-R449 IonicContact OE1-NE 3.01Å; E445-R449 PolarHBondContact OE1-NE 2.96Å; E445-R449 IonicContact OE1-NH2 3.34Å; E445-R449 PolarHBondContact OE1-NH2 3.48Å; E445-R449 IonicContact OE2-CZ 3.14Å; E445-R449 IonicContact OE2-NE 2.77Å; E445-R449 PolarHBondContact OE2-NE 3.15Å; E445-R449 IonicContact OE2-NH2 3.19Å; E445-R449 PolarHBondContact OE2-NH2 3.15Å |
| 446 | H | 86.4 | Confident | 89.6 | Confident | 52 Ų | 52 | 86 Ų | 86 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 172 | 178.1 | 75.3 | 0 | 0 | 0 | 112.4 | P352 L442 K443 N448 R449 L450 | P352-H446 HydrophobicContact CG-CB 4.29Å; L442-H446 WeakPolarHBondContact O-CB 3.41Å; L442-H446 PolarHBondContact O-N 3.08Å; K443-H446 PolarHBondContact O-N 3.19Å; H446-N448 VanDerWaalsContact C-N 3.28Å; H446-N448 PolarHBondContact O-N 3.15Å; H446-R449 WeakPolarHBondContact O-CB 3.36Å; H446-R449 PolarHBondContact O-N 3.28Å; H446-L450 VanDerWaalsContact O-CD1 3.23Å; H446-L450 WeakPolarHBondContact O-CD1 3.38Å; H446-L450 PolarHBondContact O-N 3.44Å |
| 447 | T | 90.5 | Very high | 89.2 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | K443 A444 K451 | K443-T447 WeakPolarHBondContact O-CB 3.41Å; K443-T447 PolarHBondContact O-N 3.35Å; K443-T447 PolarHBondContact O-OG1 2.89Å; A444-T447 PolarHBondContact O-N 3.41Å; T447-K451 HydrophobicContact CG2-CD 4.43Å; T447-K451 WeakPolarHBondContact O-CG 3.41Å; T447-K451 PolarHBondContact O-N 3.27Å |
| 448 | N | 93.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 87.2 Ų | 87.2 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.2 | -45 | 173.9 | -170.7 | -67 | 0 | 0 | 0 | 110.9 | A444 E445 H446 L450 K451 A452 | A444-N448 VanDerWaalsContact O-CB 3.29Å; A444-N448 WeakPolarHBondContact O-CB 3.44Å; A444-N448 PolarHBondContact O-N 3.26Å; E445-N448 WeakPolarHBondContact O-CB 3.26Å; E445-N448 PolarHBondContact O-N 2.61Å; H446-N448 VanDerWaalsContact C-N 3.28Å; H446-N448 PolarHBondContact O-N 3.15Å; N448-L450 VanDerWaalsContact C-N 3.34Å; N448-L450 PolarHBondContact O-N 3.23Å; N448-K451 PolarHBondContact O-N 3.38Å; N448-A452 WeakPolarHBondContact O-CB 3.4Å; N448-A452 PolarHBondContact O-N 3.13Å |
| 449 | R | 89.3 | Confident | 88.9 | Confident | 109 Ų | 109 | 88 Ų | 88 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 173.1 | -66.3 | -179.1 | -171.1 | -163.2 | 4.4 | 112.2 | I349 E445 H446 A452 A453 | I349-R449 HydrophobicContact CG2-CB 4.3Å; E445-R449 WeakPolarHBondContact O-CG 3.15Å; E445-R449 PolarHBondContact O-N 2.91Å; E445-R449 IonicContact OE1-CZ 2.87Å; E445-R449 IonicContact OE1-NE 3.01Å; E445-R449 PolarHBondContact OE1-NE 2.96Å; E445-R449 IonicContact OE1-NH2 3.34Å; E445-R449 PolarHBondContact OE1-NH2 3.48Å; E445-R449 IonicContact OE2-CZ 3.14Å; E445-R449 IonicContact OE2-NE 2.77Å; E445-R449 PolarHBondContact OE2-NE 3.15Å; E445-R449 IonicContact OE2-NH2 3.19Å; E445-R449 PolarHBondContact OE2-NH2 3.15Å; H446-R449 WeakPolarHBondContact O-CB 3.36Å; H446-R449 PolarHBondContact O-N 3.28Å; R449-A452 PolarHBondContact O-N 3.05Å; R449-A453 PolarHBondContact O-N 2.94Å |
| 450 | L | 87.3 | Confident | 88.6 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 28% | 0.283 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 175.9 | -90.7 | 73.3 | 0 | 0 | 0 | 111.3 | L346 I349 H446 N448 A452 A453 F454 | L346-L450 HydrophobicContact CD2-CG 4.43Å; I349-L450 HydrophobicContact CD1-CD1 3.65Å; I349-L450 HydrophobicContact CD1-CG 3.97Å; I349-L450 HydrophobicContact CG2-CD1 4.14Å; H446-L450 VanDerWaalsContact O-CD1 3.23Å; H446-L450 WeakPolarHBondContact O-CD1 3.38Å; H446-L450 PolarHBondContact O-N 3.44Å; N448-L450 VanDerWaalsContact C-N 3.34Å; N448-L450 PolarHBondContact O-N 3.23Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 3.38Å; L450-A453 WeakPolarHBondContact O-CB 3.34Å; L450-A453 PolarHBondContact O-N 3.43Å; L450-F454 WeakPolarHBondContact O-CD2 3.35Å; L450-F454 PolarHBondContact O-N 2.85Å |
| 451 | K | 90.2 | Very high | 88.1 | Confident | 140 Ų | 140 | 80.5 Ų | 80.5 | 61% | 0.609 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.3 | -41.6 | 177.3 | -74.7 | 179.7 | 176.7 | -171.5 | 0 | 112.2 | T447 N448 A453 F454 V455 | T447-K451 HydrophobicContact CG2-CD 4.43Å; T447-K451 WeakPolarHBondContact O-CG 3.41Å; T447-K451 PolarHBondContact O-N 3.27Å; N448-K451 PolarHBondContact O-N 3.38Å; K451-A453 VanDerWaalsContact C-N 3.35Å; K451-A453 PolarHBondContact O-N 2.95Å; K451-F454 PolarHBondContact O-N 3.12Å; K451-V455 WeakPolarHBondContact O-CG2 3.45Å; K451-V455 PolarHBondContact O-N 2.83Å |
| 452 | A | 89.8 | Confident | 88 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.1 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N448 R449 L450 K456 | N448-A452 WeakPolarHBondContact O-CB 3.4Å; N448-A452 PolarHBondContact O-N 3.13Å; R449-A452 PolarHBondContact O-N 3.05Å; L450-A452 VanDerWaalsContact C-N 3.32Å; L450-A452 PolarHBondContact O-N 3.38Å; A452-K456 WeakPolarHBondContact O-CB 3.46Å; A452-K456 WeakPolarHBondContact O-CG 3.44Å; A452-K456 PolarHBondContact O-N 3.37Å |
| 453 | A | 86.1 | Confident | 88 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L346 I349 R449 L450 K451 V455 K456 A457 | L346-A453 HydrophobicContact CD2-CB 4.24Å; I349-A453 HydrophobicContact CD1-CB 4.24Å; R449-A453 PolarHBondContact O-N 2.94Å; L450-A453 WeakPolarHBondContact O-CB 3.34Å; L450-A453 PolarHBondContact O-N 3.43Å; K451-A453 VanDerWaalsContact C-N 3.35Å; K451-A453 PolarHBondContact O-N 2.95Å; A453-V455 PolarHBondContact O-N 3.42Å; A453-K456 PolarHBondContact O-N 3.18Å; A453-A457 WeakPolarHBondContact O-CB 3.5Å; A453-A457 PolarHBondContact O-N 3Å |
| 454 | F | 86.3 | Confident | 87.7 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | 176.4 | -75.4 | -64.9 | 0 | 0 | 0 | 114 | L346 L450 K451 A457 L458 | L346-F454 HydrophobicContact CD1-CD1 4.49Å; L346-F454 HydrophobicContact CD1-CE1 3.64Å; L346-F454 HydrophobicContact CD1-CE2 4.44Å; L346-F454 HydrophobicContact CD1-CZ 3.61Å; L346-F454 HydrophobicContact CD2-CD2 4.33Å; L346-F454 HydrophobicContact CD2-CE1 4.34Å; L346-F454 HydrophobicContact CD2-CE2 3.8Å; L346-F454 HydrophobicContact CD2-CZ 3.8Å; L346-F454 HydrophobicContact CG-CZ 4.39Å; L450-F454 WeakPolarHBondContact O-CD2 3.35Å; L450-F454 PolarHBondContact O-N 2.85Å; K451-F454 PolarHBondContact O-N 3.12Å; F454-A457 WeakPolarHBondContact O-CB 3.34Å; F454-L458 PolarHBondContact O-N 3.31Å; F454-L458 VanDerWaalsContact O-N 3.13Å |
| 455 | V | 90.7 | Very high | 87.4 | Confident | 102 Ų | 102 | 80 Ų | 80 | 62% | 0.618 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.1 | -43 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | K451 A453 A457 L458 Q459 | K451-V455 WeakPolarHBondContact O-CG2 3.45Å; K451-V455 PolarHBondContact O-N 2.83Å; A453-V455 PolarHBondContact O-N 3.42Å; V455-A457 VanDerWaalsContact C-N 3.28Å; V455-A457 PolarHBondContact O-N 3.23Å; V455-L458 PolarHBondContact O-N 3.37Å; V455-Q459 WeakPolarHBondContact O-CB 3.35Å; V455-Q459 PolarHBondContact O-N 3.01Å |
| 456 | K | 87.8 | Confident | 87.3 | Confident | 157 Ų | 157 | 82.8 Ų | 82.8 | 68% | 0.683 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 173 | -74.5 | -178.6 | 176.4 | -172 | 0 | 112.2 | A452 A453 Q459 Q460 | A452-K456 WeakPolarHBondContact O-CB 3.46Å; A452-K456 WeakPolarHBondContact O-CG 3.44Å; A452-K456 PolarHBondContact O-N 3.37Å; A453-K456 PolarHBondContact O-N 3.18Å; K456-Q459 PolarHBondContact O-N 3.35Å; K456-Q460 WeakPolarHBondContact O-CB 3.31Å; K456-Q460 PolarHBondContact O-N 3.07Å |
| 457 | A | 82.3 | Confident | 87.2 | Confident | 11 Ų | 11 | 87.7 Ų | 87.7 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -56.2 | -54.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L342 A453 F454 V455 Q459 Q460 E461 | L342-A457 HydrophobicContact CD1-CB 3.5Å; L342-A457 VanDerWaalsContact CD1-CB 3.5Å; L342-A457 HydrophobicContact CD2-CB 3.38Å; L342-A457 HydrophobicContact CG-CB 4Å; A453-A457 WeakPolarHBondContact O-CB 3.5Å; A453-A457 PolarHBondContact O-N 3Å; F454-A457 WeakPolarHBondContact O-CB 3.34Å; V455-A457 VanDerWaalsContact C-N 3.28Å; V455-A457 PolarHBondContact O-N 3.23Å; A457-Q459 VanDerWaalsContact C-N 3.3Å; A457-Q459 PolarHBondContact O-N 3.11Å; A457-Q460 PolarHBondContact O-N 3.25Å; A457-E461 PolarHBondContact O-N 3.02Å |
| 458 | L | 86.5 | Confident | 86.8 | Confident | 101 Ų | 101 | 85.8 Ų | 85.8 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | -178.6 | -159 | 75.8 | 0 | 0 | 0 | 111.3 | F454 V455 E461 Q462 | F454-L458 PolarHBondContact O-N 3.31Å; F454-L458 VanDerWaalsContact O-N 3.13Å; V455-L458 PolarHBondContact O-N 3.37Å; L458-E461 PolarHBondContact O-N 3.39Å; L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.2Å |
| 459 | Q | 89.7 | Confident | 86.3 | Confident | 113 Ų | 113 | 86.4 Ų | 86.4 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 177 | -172.1 | 60.9 | 81.8 | 0 | 0 | 112.5 | V455 K456 A457 Q462 E463 | V455-Q459 WeakPolarHBondContact O-CB 3.35Å; V455-Q459 PolarHBondContact O-N 3.01Å; K456-Q459 PolarHBondContact O-N 3.35Å; A457-Q459 VanDerWaalsContact C-N 3.3Å; A457-Q459 PolarHBondContact O-N 3.11Å; Q459-Q462 PolarHBondContact O-N 2.9Å; Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.2Å |
| 460 | Q | 84.3 | Confident | 86 | Confident | 70 Ų | 70 | 88 Ų | 88 | 33% | 0.327 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72 | -31.8 | 177.8 | -166.2 | -179.6 | -7.4 | 0 | 0 | 111.8 | L338 K456 A457 I464 | L338-Q460 HydrophobicContact CD1-CB 4.13Å; L338-Q460 HydrophobicContact CD1-CG 3.66Å; K456-Q460 WeakPolarHBondContact O-CB 3.31Å; K456-Q460 PolarHBondContact O-N 3.07Å; A457-Q460 PolarHBondContact O-N 3.25Å; Q460-I464 HydrophobicContact CG-CD1 4.38Å; Q460-I464 WeakPolarHBondContact O-CD1 3.46Å; Q460-I464 VanDerWaalsContact O-CG1 3.3Å; Q460-I464 WeakPolarHBondContact O-CG1 3.29Å; Q460-I464 PolarHBondContact O-N 3.22Å; Q460-I464 VanDerWaalsContact O-N 3.11Å |
| 461 | E | 82.1 | Confident | 85.3 | Confident | 38 Ų | 38 | 91.8 Ų | 91.8 | 18% | 0.178 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 171.9 | -167.1 | 164.4 | -155 | 0 | 0 | 111.1 | K335 L338 A457 L458 I464 E465 | K335-E461 WeakPolarHBondContact CE-OE1 3.43Å; K335-E461 IonicContact NZ-OE1 2.71Å; K335-E461 PolarHBondContact NZ-OE1 3.1Å; L338-E461 HydrophobicContact CD2-CB 3.66Å; L338-E461 HydrophobicContact CD2-CG 4.12Å; A457-E461 PolarHBondContact O-N 3.02Å; L458-E461 PolarHBondContact O-N 3.39Å; E461-I464 PolarHBondContact O-N 3.35Å; E461-E465 PolarHBondContact O-N 3.25Å |
| 462 | Q | 87.8 | Confident | 84.3 | Confident | 106 Ų | 106 | 88.2 Ų | 88.2 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.3 | -71.7 | 175.5 | 0.4 | 0 | 0 | 113.2 | L458 Q459 I464 E465 Q466 | L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.2Å; Q459-Q462 PolarHBondContact O-N 2.9Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.89Å; Q462-E465 PolarHBondContact O-N 3.4Å; Q462-Q466 WeakPolarHBondContact O-CB 3.49Å; Q462-Q466 PolarHBondContact O-N 2.86Å |
| 463 | E | 88.4 | Confident | 83.2 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 176.7 | -172.4 | -175.7 | 174 | 0 | 0 | 111.6 | Q459 R467 | Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.2Å; E463-R467 WeakPolarHBondContact O-CB 3.34Å; E463-R467 VanDerWaalsContact O-CG 3.3Å; E463-R467 WeakPolarHBondContact O-CG 3.3Å; E463-R467 PolarHBondContact O-N 3.3Å; E463-R467 IonicContact OE1-CZ 3.88Å; E463-R467 IonicContact OE1-NE 2.72Å; E463-R467 PolarHBondContact OE1-NE 3.43Å; E463-R467 IonicContact OE1-NH2 2.63Å; E463-R467 PolarHBondContact OE1-NH2 2.86Å |
| 464 | I | 83.2 | Confident | 81.9 | Confident | 43 Ų | 43 | 92.4 Ų | 92.4 | 22% | 0.221 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 176.2 | -71.4 | 167.2 | 0 | 0 | 0 | 110.8 | A334 L338 Q460 E461 Q462 Q466 R467 I468 | A334-I464 HydrophobicContact CB-CG2 4.35Å; L338-I464 HydrophobicContact CD1-CD1 4.1Å; L338-I464 HydrophobicContact CD2-CD1 4.29Å; Q460-I464 HydrophobicContact CG-CD1 4.38Å; Q460-I464 WeakPolarHBondContact O-CD1 3.46Å; Q460-I464 VanDerWaalsContact O-CG1 3.3Å; Q460-I464 WeakPolarHBondContact O-CG1 3.29Å; Q460-I464 PolarHBondContact O-N 3.22Å; Q460-I464 VanDerWaalsContact O-N 3.11Å; E461-I464 PolarHBondContact O-N 3.35Å; Q462-I464 VanDerWaalsContact C-N 3.34Å; Q462-I464 PolarHBondContact O-N 2.89Å; I464-Q466 PolarHBondContact O-N 3.46Å; I464-R467 PolarHBondContact O-N 3.39Å; I464-I468 HydrophobicContact CG2-CD1 3.74Å; I464-I468 HydrophobicContact CG2-CG1 4.46Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.25Å; I464-I468 PolarHBondContact O-N 2.86Å |
| 465 | E | 84.1 | Confident | 80.4 | Confident | 70 Ų | 70 | 91 Ų | 91 | 33% | 0.327 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.1 | -72.2 | -178.9 | 169.8 | 0 | 0 | 112.2 | K335 E461 Q462 I468 L469 | K335-E465 IonicContact NZ-OE1 3.99Å; K335-E465 PolarHBondContact NZ-OE1 2.92Å; E461-E465 PolarHBondContact O-N 3.25Å; Q462-E465 PolarHBondContact O-N 3.4Å; E465-I468 PolarHBondContact O-N 3.18Å; E465-L469 WeakPolarHBondContact O-CG 3.49Å; E465-L469 PolarHBondContact O-N 3.23Å |
| 466 | Q | 87.6 | Confident | 78.5 | Confident | 139 Ų | 139 | 90.6 Ų | 90.6 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.5 | -44.1 | 173 | -175.7 | 175.9 | 91.4 | 0 | 0 | 112.3 | Q462 I464 I468 L469 Q470 | Q462-Q466 WeakPolarHBondContact O-CB 3.49Å; Q462-Q466 PolarHBondContact O-N 2.86Å; I464-Q466 PolarHBondContact O-N 3.46Å; Q466-I468 VanDerWaalsContact C-N 3.34Å; Q466-I468 PolarHBondContact O-N 2.86Å; Q466-L469 PolarHBondContact O-N 3.2Å; Q466-Q470 PolarHBondContact O-N 3.41Å |
| 467 | R | 83.8 | Confident | 76.8 | Confident | 154 Ų | 154 | 88.1 Ų | 88.1 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.3 | -38.2 | 176.9 | -74.4 | 176.6 | -178 | -159.1 | 2.5 | 112.3 | E463 I464 Q470 Q471 | E463-R467 WeakPolarHBondContact O-CB 3.34Å; E463-R467 VanDerWaalsContact O-CG 3.3Å; E463-R467 WeakPolarHBondContact O-CG 3.3Å; E463-R467 PolarHBondContact O-N 3.3Å; E463-R467 IonicContact OE1-CZ 3.88Å; E463-R467 IonicContact OE1-NE 2.72Å; E463-R467 PolarHBondContact OE1-NE 3.43Å; E463-R467 IonicContact OE1-NH2 2.63Å; E463-R467 PolarHBondContact OE1-NH2 2.86Å; I464-R467 PolarHBondContact O-N 3.39Å; R467-Q470 PolarHBondContact O-N 2.92Å; R467-Q471 WeakPolarHBondContact O-CG 3.44Å; R467-Q471 PolarHBondContact O-N 3.07Å |
| 468 | I | 81.8 | Confident | 75.1 | Confident | 30 Ų | 30 | 92.4 Ų | 92.4 | 15% | 0.154 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -66.7 | -45.3 | 176.9 | -70.6 | 169.4 | 0 | 0 | 0 | 110.8 | Q331 I464 E465 Q466 Q470 Q471 T472 | Q331-I468 HydrophobicContact CB-CD1 3.92Å; Q331-I468 HydrophobicContact CG-CD1 3.76Å; I464-I468 HydrophobicContact CG2-CD1 3.74Å; I464-I468 HydrophobicContact CG2-CG1 4.46Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.25Å; I464-I468 PolarHBondContact O-N 2.86Å; E465-I468 PolarHBondContact O-N 3.18Å; Q466-I468 VanDerWaalsContact C-N 3.34Å; Q466-I468 PolarHBondContact O-N 2.86Å; I468-Q470 VanDerWaalsContact C-N 3.29Å; I468-Q470 PolarHBondContact O-N 3.03Å; I468-Q471 PolarHBondContact O-N 2.85Å; I468-T472 PolarHBondContact O-N 2.69Å; I468-T472 PolarHBondContact O-OG1 2.98Å |
| 469 | L | 83.1 | Confident | 73.2 | Confident | 122 Ų | 122 | 97.2 Ų | 97.2 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -38.7 | 174.9 | -73.6 | 168.1 | 0 | 0 | 0 | 112.3 | E465 Q466 T472 A473 | E465-L469 WeakPolarHBondContact O-CG 3.49Å; E465-L469 PolarHBondContact O-N 3.23Å; Q466-L469 PolarHBondContact O-N 3.2Å; L469-T472 WeakPolarHBondContact CA-OG1 3.36Å; L469-T472 PolarHBondContact O-OG1 3.09Å; L469-A473 WeakPolarHBondContact O-CB 3.49Å; L469-A473 PolarHBondContact O-N 3.01Å |
| 470 | Q | 82.5 | Confident | 70.7 | Confident | 143 Ų | 143 | 98.5 Ų | 98.5 | 67% | 0.668 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.2 | -35.8 | 176.9 | -167.2 | 152.3 | 81.8 | 0 | 0 | 112.3 | Q466 R467 I468 A473 S474 | Q466-Q470 PolarHBondContact O-N 3.41Å; R467-Q470 PolarHBondContact O-N 2.92Å; I468-Q470 VanDerWaalsContact C-N 3.29Å; I468-Q470 PolarHBondContact O-N 3.03Å; Q470-A473 PolarHBondContact O-N 3.47Å; Q470-S474 WeakPolarHBondContact O-CB 3.41Å; Q470-S474 PolarHBondContact O-N 2.88Å; Q470-S474 PolarHBondContact O-OG 2.93Å |
| 471 | Q | 73.8 | Confident | 68.6 | Low | 132 Ų | 132 | 101.5 Ų | 101.5 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.9 | -42.6 | 172.7 | -77.3 | -178.1 | -11.3 | 0 | 0 | 112.4 | R467 I468 S474 S475 | R467-Q471 WeakPolarHBondContact O-CG 3.44Å; R467-Q471 PolarHBondContact O-N 3.07Å; I468-Q471 PolarHBondContact O-N 2.85Å; Q471-S474 WeakPolarHBondContact CA-OG 3.28Å; Q471-S474 PolarHBondContact O-N 3.46Å; Q471-S474 PolarHBondContact O-OG 3.3Å; Q471-S475 PolarHBondContact O-N 3.35Å; Q471-S475 PolarHBondContact O-OG 2.95Å |
| 472 | T | 68.6 | Low | 66.9 | Low | 65 Ų | 65 | 105.5 Ų | 105.5 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -35.1 | 176.1 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | I468 L469 S475 | I468-T472 PolarHBondContact O-N 2.69Å; I468-T472 PolarHBondContact O-OG1 2.98Å; L469-T472 WeakPolarHBondContact CA-OG1 3.36Å; L469-T472 PolarHBondContact O-OG1 3.09Å; T472-S475 WeakPolarHBondContact CA-OG 3.38Å; T472-S475 PolarHBondContact O-OG 2.93Å |
| 473 | A | 66.9 | Low | 64.7 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.4 | -43.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L469 Q470 S475 S476 | L469-A473 WeakPolarHBondContact O-CB 3.49Å; L469-A473 PolarHBondContact O-N 3.01Å; Q470-A473 PolarHBondContact O-N 3.47Å; A473-S475 VanDerWaalsContact C-N 3.32Å; A473-S475 PolarHBondContact O-N 2.99Å; A473-S476 PolarHBondContact O-OG 3.17Å |
| 474 | S | 58.1 | Low | 62.2 | Low | 85 Ų | 85 | 106.8 Ų | 106.8 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.1 | -14.6 | -176.8 | 69.3 | 0 | 0 | 0 | 0 | 115.7 | Q470 Q471 | Q470-S474 WeakPolarHBondContact O-CB 3.41Å; Q470-S474 PolarHBondContact O-N 2.88Å; Q470-S474 PolarHBondContact O-OG 2.93Å; Q471-S474 WeakPolarHBondContact CA-OG 3.28Å; Q471-S474 PolarHBondContact O-N 3.46Å; Q471-S474 PolarHBondContact O-OG 3.3Å |
| 475 | S | 54.8 | Low | 60.2 | Low | 85 Ų | 85 | 110 Ų | 110 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 3.2 | -175.7 | 39.2 | 0 | 0 | 0 | 0 | 114.4 | Q471 T472 A473 | Q471-S475 PolarHBondContact O-N 3.35Å; Q471-S475 PolarHBondContact O-OG 2.95Å; T472-S475 WeakPolarHBondContact CA-OG 3.38Å; T472-S475 PolarHBondContact O-OG 2.93Å; A473-S475 VanDerWaalsContact C-N 3.32Å; A473-S475 PolarHBondContact O-N 2.99Å |
| 476 | S | 52.2 | Low | 59.2 | Low | 95 Ų | 95 | 112.6 Ų | 112.6 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -91.4 | -12.6 | 177 | 61.7 | 0 | 0 | 0 | 0 | 114.4 | A473 S478 | A473-S476 PolarHBondContact O-OG 3.17Å; S476-S478 PolarHBondContact O-N 3.19Å |
| 477 | S | 50.3 | Low | 56.5 | Low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -91.9 | 8.8 | -167.8 | -45.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 478 | S | 46.8 | Very low | 54.4 | Low | 100 Ų | 100 | 112 Ų | 112 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -131.7 | 52.1 | -170.6 | 66.4 | 0 | 0 | 0 | 0 | 114.4 | S476 | S476-S478 PolarHBondContact O-N 3.19Š|
| 479 | K | 48 | Very low | 52.2 | Low | 202 Ų | 202 | 116 Ų | 116 | 88% | 0.878 | 72% | 0.719 | S | S | * | * | trans | -163.2 | 75 | 163.2 | -115.4 | 166.8 | -171 | 179.5 | 0 | 114.6 | ||||
| 480 | T | 35.6 | Very low | 49.9 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | trans | -134.8 | 94.8 | 158.7 | 49.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 481 | T | 41.7 | Very low | 47.5 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -86.9 | 140.8 | 164.3 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 482 | S | 46.5 | Very low | 45.6 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | 63 | 161 | 179.6 | 82.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 483 | S | 40.9 | Very low | 43.9 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -142 | 176.3 | 17.4 | 67 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 484 | S | 37 | Very low | 42.7 | Very low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -61.6 | 156.2 | 160.1 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 485 | S | 40.5 | Very low | 41.6 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -72.4 | -176.5 | -177.4 | -41.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 486 | P | 63.2 | Low | 41 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -133.8 | 174 | -49.6 | 33.1 | -16.3 | 0 | 0 | 0 | 113.1 | ||||
| 487 | S | 30.2 | Very low | 40.7 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -154.6 | 170.3 | 149 | -160.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 488 | L | 40.7 | Very low | 40.1 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -101.4 | 143.5 | -165.9 | -60.7 | 162.5 | 0 | 0 | 0 | 112.6 | ||||
| 489 | S | 35.3 | Very low | 39.4 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 163.5 | 135.5 | 107.2 | 54.5 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 490 | K | 34 | Very low | 38.7 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 120.5 | 138.6 | -145.7 | 166.8 | -170.6 | 176.5 | 0 | 122.7 | ||||
| 491 | S | 32.7 | Very low | 38.6 | Very low | 90 Ų | 90 | 138 Ų | 138 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | 61.3 | 118.8 | 151.8 | -71.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 492 | E | 33.3 | Very low | 38.1 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | 78.5 | 117.8 | 72.2 | -166.4 | -178.6 | -178.3 | 0 | 0 | 110.8 | |||||
| 493 | V | 33.9 | Very low | 37.6 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | -149.4 | 161.6 | 73.3 | 160.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 494 | L | 41.7 | Very low | 37.2 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -39 | 157.3 | 170.8 | -59.3 | 98.4 | 0 | 0 | 0 | 115.2 | ||||
| 495 | I | 34.2 | Very low | 37 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | -151.7 | 149.4 | 51 | -74.3 | 170.3 | 0 | 0 | 0 | 112.9 | |||||
| 496 | S | 42.5 | Very low | 36.6 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -134.3 | 149.3 | 157.2 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | Q498 | S496-Q498 PolarHBondContact OG-N 2.86Š| ||
| 497 | P | 46.7 | Very low | 35.2 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | -129.4 | 133.1 | 107.5 | 7.1 | 14.1 | 0 | 0 | 0 | 111.4 | |||||
| 498 | Q | 36.3 | Very low | 35.2 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 57% | 0.57 | 77% | 0.772 | S | S | * | * | 70.9 | 112.4 | 70 | -171.5 | -174.6 | 117.6 | 0 | 0 | 113.8 | S496 K500 | S496-Q498 PolarHBondContact OG-N 2.86Å; Q498-K500 HydrophobicContact CG-CG 4.17Å; Q498-K500 VanDerWaalsContact OE1-NZ 3.14Å | |||
| 499 | Y | 32.7 | Very low | 34.6 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | trans | -123.5 | 135.3 | 143.5 | -112.3 | -97.2 | 0 | 0 | 0 | 108.8 | ||||
| 500 | K | 32.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -90.5 | 129 | -177.1 | -74.2 | 165 | 170.2 | 147.6 | 0 | 110.2 | Q498 | Q498-K500 HydrophobicContact CG-CG 4.17Å; Q498-K500 VanDerWaalsContact OE1-NZ 3.14Å | ||
| 501 | Q | 34.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -98.8 | 109.3 | 163.1 | -175.6 | 172.9 | -8.3 | 0 | 0 | 108.6 | ||||
| 502 | I | 31.2 | Very low | 34.1 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -79.8 | 130 | 172.8 | -64.9 | 174.8 | 0 | 0 | 0 | 108.3 | ||||
| 503 | R | 35.8 | Very low | 33.9 | Very low | 234 Ų | 234 | 150.4 Ų | 150.4 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -123.8 | 124.3 | 171.2 | -167 | -175.8 | -163.4 | -179.3 | 5.3 | 107.5 | ||||
| 504 | S | 32.7 | Very low | 33.8 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -107 | 148.2 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 505 | D | 32.5 | Very low | 33.5 | Very low | 146 Ų | 146 | 154.8 Ų | 154.8 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 174.5 | -176.9 | -165.7 | 7.9 | 0 | 0 | 0 | 109.6 | ||||
| 506 | L | 32.9 | Very low | 33.2 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | 72.2 | 137.9 | -179.2 | -101.7 | 66.5 | 0 | 0 | 0 | 114.7 | ||||
| 507 | Q | 32.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -143.9 | 157.1 | 20.7 | -65 | -173 | -12.3 | 0 | 0 | 115.4 | ||||
| 508 | H | 29.9 | Very low | 32 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | 18 | 132.8 | 146 | -68.6 | -102.1 | 0 | 0 | 0 | 122 | ||||
| 509 | R | 28.7 | Very low | 31.7 | Very low | 246 Ų | 246 | 158.1 Ų | 158.1 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | -170.8 | 161.6 | 91.7 | -164.5 | 163.8 | -177.4 | 166.8 | 1.2 | 111.7 | |||||
| 510 | S | 30.5 | Very low | 31.7 | Very low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -122.5 | 143.9 | -173.5 | 50.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 511 | V | 30.7 | Very low | 31.6 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -178.5 | 124.5 | 142.3 | -92.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 512 | S | 30 | Very low | 31.6 | Very low | 116 Ų | 116 | 151 Ų | 151 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | 95 | 146.2 | 63.1 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 513 | A | 29.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | 82.9 | 85.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 514 | H | 32.3 | Very low | 31.3 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | 20.8 | 149.2 | 129.6 | -60.9 | -86.7 | 0 | 0 | 0 | 124.5 | |||||
| 515 | H | 34.6 | Very low | 31 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 74.7 | 159.2 | 148.1 | 108.8 | -57.5 | 0 | 0 | 0 | 118.7 | ||||
| 516 | S | 28.5 | Very low | 31 | Very low | 83 Ų | 83 | 147.1 Ų | 147.1 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | cis | -171.3 | 138.8 | -35.1 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 517 | I | 33.5 | Very low | 30.9 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 64.6 | 142 | 150.8 | -75.3 | 170.7 | 0 | 0 | 0 | 121.1 | ||||
| 518 | K | 29.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 144.9 Ų | 144.9 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | 97.7 | 126 | 153.9 | -98 | 170 | -175.3 | 179.5 | 0 | 122.5 | ||||
| 519 | Q | 30.6 | Very low | 30.9 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 66.4 | 107.3 | 141.6 | -83.8 | 174.5 | -80.1 | 0 | 0 | 122.4 | ||||
| 520 | S | 31.6 | Very low | 30.8 | Very low | 78 Ų | 78 | 139.9 Ų | 139.9 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | 37.8 | 126.4 | 124.7 | 59.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 521 | H | 31.6 | Very low | 31 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | -161.4 | 173.3 | 96 | -100.5 | -72.9 | 0 | 0 | 0 | 111.6 | |||||
| 522 | L | 33.6 | Very low | 31 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -98.2 | 135.4 | -170.6 | -67.3 | 159.5 | 0 | 0 | 0 | 112.3 | ||||
| 523 | A | 30 | Very low | 31.1 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 177.2 | 133.9 | 132.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 524 | H | 31.3 | Very low | 31.1 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | trans | -88.2 | 128.9 | 168.2 | -88.2 | -77 | 0 | 0 | 0 | 111 | ||||
| 525 | S | 26.6 | Very low | 30.9 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -109.5 | 136.5 | 151.8 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 526 | I | 31.7 | Very low | 30.6 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -132.9 | 114.8 | 162.1 | -62.6 | -176.3 | 0 | 0 | 0 | 107.7 | ||||
| 527 | Q | 30.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 145 Ų | 145 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | -126.6 | 147.7 | 174.5 | -157.6 | -179.8 | 16.8 | 0 | 0 | 108.6 | ||||
| 528 | S | 30 | Very low | 30.9 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | trans | 63.5 | 124.1 | 153.9 | 63.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 529 | R | 32.9 | Very low | 31.1 | Very low | 248 Ų | 248 | 142.5 Ų | 142.5 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | 71.1 | 149.9 | 124 | -69 | 176.7 | 172.5 | 173.1 | -3.4 | 121.8 | |||||
| 530 | G | 27.8 | Very low | 31.3 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 105.9 | 149.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 531 | L | 33.5 | Very low | 31.6 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | cis | -160.4 | 154.4 | -24.3 | -130.8 | 152.8 | 0 | 0 | 0 | 107.2 | ||||
| 532 | A | 30.6 | Very low | 31.8 | Very low | 85 Ų | 85 | 145.2 Ų | 145.2 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | -89.5 | 142.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 533 | H | 32.4 | Very low | 31.9 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -134.6 | 133 | 162.6 | -76.8 | -82.5 | 0 | 0 | 0 | 110.1 | ||||
| 534 | S | 29.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -97.3 | 149.3 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 535 | F | 28.2 | Very low | 32.2 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -133.3 | 152.4 | 164.4 | -81.4 | -80.2 | 0 | 0 | 0 | 111.5 | ||||
| 536 | T | 29.5 | Very low | 32.9 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 147 | -159 | -42.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 537 | S | 31.1 | Very low | 33 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -94.7 | 131.7 | 169.8 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 538 | S | 35.8 | Very low | 33.4 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 135.4 | 175.1 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 539 | Q | 35.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | trans | -64.4 | 146.7 | -177.7 | -66.1 | 175.7 | -27.3 | 0 | 0 | 113.3 | ||||
| 540 | L | 33.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -144.8 | 126.2 | 135.8 | -81 | -175.9 | 0 | 0 | 0 | 109.4 | ||||
| 541 | Q | 38.1 | Very low | 33.8 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 65% | 0.654 | 82% | 0.822 | S | S | * | * | trans | -77.8 | 151.3 | 157.3 | -67 | 86.6 | -14.7 | 0 | 0 | 109.8 | ||||
| 542 | N | 35.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | -161.7 | 153.3 | 129.7 | -106.6 | -23.7 | 0 | 0 | 0 | 111.2 | |||||
| 543 | A | 35 | Very low | 33.9 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | trans | -107.5 | 159.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 544 | V | 35.3 | Very low | 33.7 | Very low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | trans | -133 | 123.4 | 158.2 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 545 | T | 33.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | trans | -80.8 | 163.9 | -178.3 | -38.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 546 | A | 40.3 | Very low | 34.2 | Very low | 101 Ų | 101 | 134 Ų | 134 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -62 | 136.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 547 | A | 33.8 | Very low | 34.2 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -137.2 | 98.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 548 | A | 39.7 | Very low | 34.1 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -93.1 | 129 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 549 | L | 31.9 | Very low | 33.8 | Very low | 188 Ų | 188 | 130 Ų | 130 | 98% | 0.984 | 81% | 0.811 | S | S | * | * | trans | -176.9 | 155.8 | 161.8 | -103.4 | 167.5 | 0 | 0 | 0 | 109.1 | ||||
| 550 | G | 28.6 | Very low | 33.4 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | 103.1 | 58 | 162 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 551 | S | 38.3 | Very low | 33.1 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -121.3 | 110.6 | 161.9 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 552 | R | 36.5 | Very low | 32.6 | Very low | 250 Ų | 250 | 128.2 Ų | 128.2 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | trans | -164.7 | 150.9 | 170.9 | -99.5 | -169.8 | -179.5 | -123.8 | -2.4 | 109.2 | ||||
| 553 | A | 31.5 | Very low | 32.4 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | cis | -159.9 | 167.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 554 | G | 27.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 130.9 Ų | 130.9 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 104.2 | 131.6 | 166 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 555 | K | 33.7 | Very low | 31.7 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | S | Bend | cis | -152.1 | 153.6 | 7 | -76.3 | -179.2 | 172.8 | -174.9 | 0 | 108.2 | ||
| 556 | H | 34 | Very low | 31.6 | Very low | 152 Ų | 152 | 126 Ų | 126 | 70% | 0.704 | 81% | 0.807 | S | S | * | * | cis | -143.9 | 150.7 | -8.7 | -98.7 | -54 | 0 | 0 | 0 | 107.1 | ||||
| 557 | A | 28.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | 42.2 | 124.2 | 93.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 558 | A | 29.2 | Very low | 30.9 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | cis | -147.3 | -168.6 | 11.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 559 | A | 29.4 | Very low | 30.3 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | cis | -147.9 | -99.9 | 9.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 560 | L | 28.2 | Very low | 30.1 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -144.9 | 171.7 | -164.5 | -59.2 | 170 | 0 | 0 | 0 | 109 | ||||
| 561 | S | 25.9 | Very low | 29.9 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -150.8 | -170.8 | 12.8 | -156.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 562 | L | 28.6 | Very low | 29.5 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -90.4 | 167.1 | -174.6 | -150.6 | 83.7 | 0 | 0 | 0 | 114 | ||||
| 563 | Q | 30.8 | Very low | 29.2 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | trans | 99.6 | 125.8 | 137.3 | -154.8 | 138.9 | 11.6 | 0 | 0 | 121.4 | ||||
| 564 | Q | 30.3 | Very low | 29 | Very low | 177 Ų | 177 | 123.2 Ų | 123.2 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | 52.2 | 141.5 | 149.6 | -76.8 | 163.7 | 5.1 | 0 | 0 | 122.4 | ||||
| 565 | G | 25.7 | Very low | 29.1 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 134.1 | 111.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 566 | A | 30.5 | Very low | 29.1 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 20.2 | 125.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 567 | K | 30.5 | Very low | 28.8 | Very low | 189 Ų | 189 | 124.1 Ų | 124.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | 22.5 | 112 | 124.6 | 174.9 | -123.9 | 177.9 | -177.4 | 0 | 118.6 | |||||
| 568 | V | 28.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | -163.3 | 173.6 | 124.4 | -98 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 569 | S | 27.1 | Very low | 28.9 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -115 | 159.4 | -169.5 | -51.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 570 | A | 27.1 | Very low | 29 | Very low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | 77 | 168.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 571 | S | 25.6 | Very low | 29.2 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 66.5 | 156.3 | -171.9 | 79.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 572 | S | 28.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | -179 | 132.6 | -65.2 | 46.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 573 | S | 31.5 | Very low | 29.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 92% | 0.923 | 82% | 0.816 | S | S | * | * | trans | -149.1 | 104.9 | 158.8 | -90.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 574 | G | 27.7 | Very low | 29.7 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -96.5 | 164.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 575 | N | 29 | Very low | 29.8 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | trans | -115.6 | 147 | 162.3 | -156 | 4.2 | 0 | 0 | 0 | 109.1 | ||||
| 576 | Q | 32.4 | Very low | 30 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -83.3 | 151.3 | -159 | -66 | -175.8 | 4.2 | 0 | 0 | 114.8 | ||||
| 577 | G | 29.2 | Very low | 30.1 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -147.4 | 99.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 578 | N | 30.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -60.7 | 159.4 | 173.6 | -108.4 | -3.1 | 0 | 0 | 0 | 111.2 | ||||
| 579 | M | 30.2 | Very low | 30.3 | Very low | 171 Ų | 171 | 134 Ų | 134 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | cis | -172.1 | 173.5 | 3 | 46.3 | -170.2 | 172.8 | 0 | 0 | 109.8 | ||||
| 580 | G | 31 | Very low | 30.5 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 106.8 | 85.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 581 | A | 31.5 | Very low | 30.7 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | -98.2 | 136.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 582 | W | 28.1 | Very low | 31.3 | Very low | 257 Ų | 257 | 133.8 Ų | 133.8 | 97% | 0.973 | 83% | 0.825 | S | S | * | * | trans | -122.4 | 154 | 165.7 | -75.2 | 79.9 | 0 | 0 | 0 | 109.6 | ||||
| 583 | R | 33.4 | Very low | 31.7 | Very low | 222 Ų | 222 | 135.6 Ų | 135.6 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | trans | -143.7 | 140.7 | -153.6 | -167.6 | -127.4 | -63.5 | -97.8 | 9.5 | 112.8 | ||||
| 584 | K | 34.5 | Very low | 31.9 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 77% | 0.765 | 83% | 0.828 | S | S | * | * | trans | 64.2 | 168.9 | 170.8 | -83.7 | -170.6 | 164.8 | -140.4 | 0 | 114.4 | ||||
| 585 | Q | 32.1 | Very low | 32.2 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | cis | -173.4 | 147.5 | -22.9 | 168.4 | -175.7 | -35.4 | 0 | 0 | 106.1 | ||||
| 586 | G | 30.5 | Very low | 32.4 | Very low | 63 Ų | 63 | 140.2 Ų | 140.2 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | cis | 150.1 | 149.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 587 | S | 32.5 | Very low | 32.6 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 100% | 1 | 82% | 0.824 | S | S | * | * | trans | 86.7 | 149 | -176.4 | -158 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 588 | G | 30.1 | Very low | 32.6 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | 157.6 | 131.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 589 | N | 33.6 | Very low | 33 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -129.5 | 165.2 | -163.6 | -143.6 | 22.5 | 0 | 0 | 0 | 113.6 | ||||
| 590 | A | 31.7 | Very low | 33.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | 77.4 | 135.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 591 | G | 31.7 | Very low | 34.1 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 155.9 | 112.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 592 | V | 37.2 | Very low | 34.4 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -98.5 | 126.9 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 593 | T | 37.9 | Very low | 34.8 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -165.5 | 155.6 | 152.9 | -2.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 594 | M | 36 | Very low | 35.1 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | trans | -118.8 | 149.6 | -171.5 | -86.1 | -86.3 | -81.1 | 0 | 0 | 112.2 | ||||
| 595 | A | 32.5 | Very low | 35.6 | Very low | 100 Ų | 100 | 133 Ų | 133 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | 62.1 | 142.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 596 | Y | 33.3 | Very low | 36.3 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 80% | 0.8 | 82% | 0.821 | S | S | * | * | cis | -151.2 | 111.7 | 23.9 | 172.9 | -93.8 | 0 | 0 | 0 | 109 | ||||
| 597 | V | 36.7 | Very low | 37.3 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -87.1 | 117.3 | 176.5 | -85.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 598 | N | 29.7 | Very low | 39.3 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -61.7 | 128 | 173 | -178.2 | -18 | 0 | 0 | 0 | 109.6 | S600 | N598-S600 PolarHBondContact O-N 3.47Å; N598-S600 WeakPolarHBondContact OD1-CB 3.34Å; N598-S600 PolarHBondContact OD1-N 3.14Å; N598-S600 PolarHBondContact OD1-OG 3.01Å | ||
| 599 | P | 39 | Very low | 41.1 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -71.3 | 10.3 | -176 | 29.7 | -36.4 | 0 | 0 | 0 | 114.7 | L601 | P599-L601 PolarHBondContact O-N 3.05Š|
| 600 | S | 40 | Very low | 43.1 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -92.8 | 87.1 | 177.4 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | N598 | N598-S600 PolarHBondContact O-N 3.47Å; N598-S600 WeakPolarHBondContact OD1-CB 3.34Å; N598-S600 PolarHBondContact OD1-N 3.14Å; N598-S600 PolarHBondContact OD1-OG 3.01Å | ||
| 601 | L | 43.3 | Very low | 45.2 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 94% | 0.937 | 74% | 0.741 | S | S | * | * | trans | 154 | 93.1 | 154.8 | -86.1 | 171.5 | 0 | 0 | 0 | 110.1 | P599 | P599-L601 PolarHBondContact O-N 3.05Š| ||
| 602 | S | 38.6 | Very low | 47.5 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -129.9 | 137.2 | 158.2 | 63 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 603 | A | 35.9 | Very low | 49.4 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | trans | -72.1 | 146.3 | -162.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K605 | A603-K605 PolarHBondContact O-N 3.33Š| ||
| 604 | H | 41.3 | Very low | 51.5 | Low | 203 Ų | 203 | 127.5 Ų | 127.5 | 94% | 0.94 | 70% | 0.702 | S | S | * | * | trans | -56.5 | 102.3 | 177.9 | -65.1 | -73.9 | 0 | 0 | 0 | 112.5 | ||||
| 605 | K | 44.5 | Very low | 53.4 | Low | 192 Ų | 192 | 124.4 Ų | 124.4 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | trans | -98.2 | 151.5 | 156.8 | -67.5 | -175.7 | 178.2 | 178.8 | 0 | 108.8 | A603 S607 | A603-K605 PolarHBondContact O-N 3.33Å; K605-S607 PolarHBondContact O-N 3.34Å | ||
| 606 | T | 46.3 | Very low | 55.7 | Low | 147 Ų | 147 | 126.9 Ų | 126.9 | 90% | 0.902 | 68% | 0.675 | S | S | * | * | trans | -67.4 | 93.3 | -176.6 | 49 | 0 | 0 | 0 | 0 | 111.2 | S608 | T606-S608 PolarHBondContact O-N 3.12Š| ||
| 607 | S | 52.2 | Low | 58.1 | Low | 54 Ų | 54 | 122.1 Ų | 122.1 | 38% | 0.378 | 66% | 0.662 | S | S | . | * | trans | -62.9 | 123.4 | -178.5 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | K605 | K605-S607 PolarHBondContact O-N 3.34Š| ||
| 608 | S | 73.2 | Confident | 59.7 | Low | 64 Ų | 64 | 119.4 Ų | 119.4 | 45% | 0.448 | 64% | 0.643 | S | S | . | * | trans | -70.1 | 160.9 | 177.5 | 79.3 | 0 | 0 | 0 | 0 | 110.9 | T606 V610 E611 R612 | T606-S608 PolarHBondContact O-N 3.12Å; S608-V610 PolarHBondContact O-N 3.04Å; S608-V610 PolarHBondContact OG-N 2.94Å; S608-E611 PolarHBondContact O-N 2.97Å; S608-E611 PolarHBondContact OG-N 2.94Å; S608-R612 PolarHBondContact O-N 2.98Å; S608-R612 VanDerWaalsContact O-N 3.1Å | ||
| 609 | A | 69.4 | Low | 62 | Low | 74 Ų | 74 | 121 Ų | 121 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -59.3 | -30.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q613 | A609-Q613 WeakPolarHBondContact O-CB 3.44Å; A609-Q613 PolarHBondContact O-N 2.94Å; A609-Q613 VanDerWaalsContact O-N 3.13Å |
| 610 | V | 74.6 | Confident | 63.6 | Low | 111 Ų | 111 | 120.9 Ų | 120.9 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.9 | -44.4 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | S608 Q613 R614 | S608-V610 PolarHBondContact O-N 3.04Å; S608-V610 PolarHBondContact OG-N 2.94Å; V610-Q613 PolarHBondContact O-N 3.08Å; V610-R614 PolarHBondContact O-N 3.08Å |
| 611 | E | 76.3 | Confident | 65.1 | Low | 76 Ų | 76 | 121.6 Ų | 121.6 | 36% | 0.355 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.7 | -39.2 | -179.4 | -161 | 60.6 | -134.1 | 0 | 0 | 111.3 | S608 Q613 R614 E615 | S608-E611 PolarHBondContact O-N 2.97Å; S608-E611 PolarHBondContact OG-N 2.94Å; E611-Q613 VanDerWaalsContact C-N 3.31Å; E611-Q613 PolarHBondContact O-N 3.12Å; E611-R614 CarbonylContact O-C 3.56Å; E611-R614 WeakPolarHBondContact O-CA 3.49Å; E611-R614 WeakPolarHBondContact O-CB 3.45Å; E611-R614 PolarHBondContact O-N 3.03Å; E611-R614 WeakPolarHBondContact OE1-CD 3.49Å; E611-R614 IonicContact OE1-CZ 3.65Å; E611-R614 IonicContact OE1-NE 3.72Å; E611-R614 IonicContact OE1-NH1 2.69Å; E611-R614 PolarHBondContact OE1-NH1 3.4Å; E611-E615 PolarHBondContact O-N 3.32Å |
| 612 | R | 80.1 | Confident | 65.6 | Low | 157 Ų | 157 | 118.3 Ų | 118.3 | 59% | 0.592 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.5 | -32.5 | 174.6 | -152.3 | -170.7 | -49.7 | 145.8 | 8.4 | 113 | S608 Y616 | S608-R612 PolarHBondContact O-N 2.98Å; S608-R612 VanDerWaalsContact O-N 3.1Å; R612-Y616 PolarHBondContact O-N 3.03Å; R612-Y616 VanDerWaalsContact O-N 3.11Å |
| 613 | Q | 75.8 | Confident | 66.1 | Low | 129 Ų | 129 | 118.5 Ų | 118.5 | 60% | 0.603 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.9 | -31.9 | 171.8 | -176.1 | 169.7 | -26.6 | 0 | 0 | 111.7 | A609 V610 E611 L617 | A609-Q613 WeakPolarHBondContact O-CB 3.44Å; A609-Q613 PolarHBondContact O-N 2.94Å; A609-Q613 VanDerWaalsContact O-N 3.13Å; V610-Q613 PolarHBondContact O-N 3.08Å; E611-Q613 VanDerWaalsContact C-N 3.31Å; E611-Q613 PolarHBondContact O-N 3.12Å; Q613-L617 HydrophobicContact CG-CD1 4.3Å; Q613-L617 WeakPolarHBondContact O-CB 3.36Å; Q613-L617 VanDerWaalsContact O-CG 3.29Å; Q613-L617 WeakPolarHBondContact O-CG 3.33Å; Q613-L617 PolarHBondContact O-N 3.38Å |
| 614 | R | 81.9 | Confident | 66.5 | Low | 139 Ų | 139 | 125 Ų | 125 | 53% | 0.525 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.1 | -42.9 | 171.9 | 179.1 | 173.7 | 171.6 | -80.7 | -10 | 111.7 | V610 E611 L617 L618 | V610-R614 PolarHBondContact O-N 3.08Å; E611-R614 CarbonylContact O-C 3.56Å; E611-R614 WeakPolarHBondContact O-CA 3.49Å; E611-R614 WeakPolarHBondContact O-CB 3.45Å; E611-R614 PolarHBondContact O-N 3.03Å; E611-R614 WeakPolarHBondContact OE1-CD 3.49Å; E611-R614 IonicContact OE1-CZ 3.65Å; E611-R614 IonicContact OE1-NE 3.72Å; E611-R614 IonicContact OE1-NH1 2.69Å; E611-R614 PolarHBondContact OE1-NH1 3.4Å; R614-L617 PolarHBondContact O-N 3.03Å; R614-L618 HydrophobicContact CG-CD1 4.12Å; R614-L618 VanDerWaalsContact O-CG 3.28Å; R614-L618 WeakPolarHBondContact O-CG 3.47Å; R614-L618 PolarHBondContact O-N 3.36Å; R614-L618 VanDerWaalsContact O-N 3.07Å |
| 615 | E | 76.9 | Confident | 66.5 | Low | 110 Ų | 110 | 120.5 Ų | 120.5 | 51% | 0.514 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -57.5 | -50.6 | 171.3 | -71.8 | 176.8 | 126.3 | 0 | 0 | 111.2 | E611 L617 L618 D619 | E611-E615 PolarHBondContact O-N 3.32Å; E615-L617 VanDerWaalsContact C-N 3.3Å; E615-L617 PolarHBondContact O-N 3.49Å; E615-L618 PolarHBondContact O-N 3.38Å; E615-D619 PolarHBondContact O-N 3.45Å |
| 616 | Y | 81.3 | Confident | 66.4 | Low | 152 Ų | 152 | 118.9 Ų | 118.9 | 60% | 0.596 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.3 | -37.4 | 178.2 | -177.7 | -102.3 | 0 | 0 | 0 | 113.4 | R612 L618 M620 | R612-Y616 PolarHBondContact O-N 3.03Å; R612-Y616 VanDerWaalsContact O-N 3.11Å; Y616-L618 VanDerWaalsContact C-N 3.33Å; Y616-M620 HydrophobicContact CE1-CG 4.2Å; Y616-M620 WeakPolarHBondContact O-CB 3.37Å; Y616-M620 VanDerWaalsContact O-CG 3.25Å; Y616-M620 WeakPolarHBondContact O-CG 3.4Å; Y616-M620 PolarHBondContact O-N 3.44Å |
| 617 | L | 83.6 | Confident | 65.8 | Low | 104 Ų | 104 | 116.8 Ų | 116.8 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.8 | -23.2 | 175.9 | -73.7 | 170.3 | 0 | 0 | 0 | 113.7 | Q613 R614 E615 I621 | Q613-L617 HydrophobicContact CG-CD1 4.3Å; Q613-L617 WeakPolarHBondContact O-CB 3.36Å; Q613-L617 VanDerWaalsContact O-CG 3.29Å; Q613-L617 WeakPolarHBondContact O-CG 3.33Å; Q613-L617 PolarHBondContact O-N 3.38Å; R614-L617 PolarHBondContact O-N 3.03Å; E615-L617 VanDerWaalsContact C-N 3.3Å; E615-L617 PolarHBondContact O-N 3.49Å; L617-I621 WeakPolarHBondContact O-CG1 3.5Å |
| 618 | L | 70.1 | Confident | 65.3 | Low | 87 Ų | 87 | 123.4 Ų | 123.4 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -83.2 | -40.1 | 175 | -70.8 | 166.9 | 0 | 0 | 0 | 111.6 | R614 E615 Y616 M620 I621 | R614-L618 HydrophobicContact CG-CD1 4.12Å; R614-L618 VanDerWaalsContact O-CG 3.28Å; R614-L618 WeakPolarHBondContact O-CG 3.47Å; R614-L618 PolarHBondContact O-N 3.36Å; R614-L618 VanDerWaalsContact O-N 3.07Å; E615-L618 PolarHBondContact O-N 3.38Å; Y616-L618 VanDerWaalsContact C-N 3.33Å; L618-M620 VanDerWaalsContact C-N 3.25Å; L618-M620 PolarHBondContact O-N 3.01Å; L618-I621 HydrophobicContact CD2-CD1 4.29Å; L618-I621 WeakPolarHBondContact O-CB 3.31Å; L618-I621 PolarHBondContact O-N 3.01Å; L618-I621 VanDerWaalsContact O-N 3.09Å |
| 619 | D | 78.4 | Confident | 63.6 | Low | 143 Ų | 143 | 124.2 Ų | 124.2 | 77% | 0.765 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.1 | -30 | 175.8 | -163.5 | 52.9 | 0 | 0 | 0 | 112 | E615 I621 | E615-D619 PolarHBondContact O-N 3.45Å; D619-I621 PolarHBondContact O-N 3.04Å |
| 620 | M | 71.6 | Confident | 62.3 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 58% | 0.576 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -0.7 | 171.6 | -79.1 | -64.9 | -51.5 | 0 | 0 | 115 | Y616 L618 P622 | Y616-M620 HydrophobicContact CE1-CG 4.2Å; Y616-M620 WeakPolarHBondContact O-CB 3.37Å; Y616-M620 VanDerWaalsContact O-CG 3.25Å; Y616-M620 WeakPolarHBondContact O-CG 3.4Å; Y616-M620 PolarHBondContact O-N 3.44Å; L618-M620 VanDerWaalsContact C-N 3.25Å; L618-M620 PolarHBondContact O-N 3.01Å; M620-P622 WeakPolarHBondContact O-CD 3.44Å |
| 621 | I | 72.1 | Confident | 60.6 | Low | 102 Ų | 102 | 126.6 Ų | 126.6 | 52% | 0.523 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -95.7 | 112.4 | 174.9 | -57.7 | 175.1 | 0 | 0 | 0 | 109.1 | L617 L618 D619 S623 | L617-I621 WeakPolarHBondContact O-CG1 3.5Å; L618-I621 HydrophobicContact CD2-CD1 4.29Å; L618-I621 WeakPolarHBondContact O-CB 3.31Å; L618-I621 PolarHBondContact O-N 3.01Å; L618-I621 VanDerWaalsContact O-N 3.09Å; D619-I621 PolarHBondContact O-N 3.04Å; I621-S623 PolarHBondContact O-N 3.2Å |
| 622 | P | 53.1 | Low | 59.2 | Low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | trans | -59.2 | 124.5 | 177.3 | -23.7 | 34.3 | 0 | 0 | 0 | 111.2 | M620 R624 | M620-P622 WeakPolarHBondContact O-CD 3.44Å; P622-R624 PolarHBondContact O-N 3.24Å | ||
| 623 | S | 48.8 | Very low | 57.2 | Low | 123 Ų | 123 | 134.1 Ų | 134.1 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | trans | -56.2 | 97.7 | -177 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | I621 S625 | I621-S623 PolarHBondContact O-N 3.2Å; S623-S625 PolarHBondContact O-N 3.3Å | ||
| 624 | R | 46.1 | Very low | 55.5 | Low | 232 Ų | 232 | 141.2 Ų | 141.2 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | trans | -67.4 | 106.2 | 172.7 | -69.4 | -175.4 | 179.9 | -86.8 | -0.3 | 108.3 | P622 I626 | P622-R624 PolarHBondContact O-N 3.24Å; R624-I626 PolarHBondContact O-N 3.16Å | ||
| 625 | S | 41.3 | Very low | 54.2 | Low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -56.7 | 103.7 | 172 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | S623 S627 | S623-S625 PolarHBondContact O-N 3.3Å; S625-S627 PolarHBondContact O-N 2.87Å | ||
| 626 | I | 41.4 | Very low | 53 | Low | 158 Ų | 158 | 142.9 Ų | 142.9 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -78.1 | 93.2 | -178.7 | -155.8 | 167.4 | 0 | 0 | 0 | 108.6 | R624 Q628 | R624-I626 PolarHBondContact O-N 3.16Å; I626-Q628 PolarHBondContact O-N 3.1Å | ||
| 627 | S | 34.4 | Very low | 51.5 | Low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -65.9 | 105.3 | 176 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | S625 A629 | S625-S627 PolarHBondContact O-N 2.87Å; S627-A629 VanDerWaalsContact C-N 3.28Å; S627-A629 PolarHBondContact O-N 3.07Å | ||
| 628 | Q | 41.2 | Very low | 49.6 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -67 | 89.1 | 167.7 | -73.4 | -169.4 | 4.2 | 0 | 0 | 109.5 | I626 | I626-Q628 PolarHBondContact O-N 3.1Š| ||
| 629 | A | 36.6 | Very low | 48.3 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -101.6 | 85.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | S627 N631 | S627-A629 VanDerWaalsContact C-N 3.28Å; S627-A629 PolarHBondContact O-N 3.07Å; A629-N631 PolarHBondContact O-N 3.02Å | ||
| 630 | A | 43.3 | Very low | 46.3 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -71.1 | 95.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 631 | N | 39.3 | Very low | 44.5 | Very low | 138 Ų | 138 | 150.9 Ų | 150.9 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -96.1 | 107.7 | 168.6 | -88.9 | -35.1 | 0 | 0 | 0 | 109.4 | A629 | A629-N631 PolarHBondContact O-N 3.02Š| ||
| 632 | T | 46.1 | Very low | 42.4 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -65.9 | 125.9 | 169 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 633 | W | 38.9 | Very low | 41.5 | Very low | 254 Ų | 254 | 158.4 Ų | 158.4 | 96% | 0.962 | 85% | 0.845 | S | S | * | * | trans | -86.3 | 148.9 | 167.2 | -72.5 | 47 | 0 | 0 | 0 | 109.5 | ||||
| 634 | K | 40.2 | Very low | 40.8 | Very low | 278 Ų | 278 | 161.6 Ų | 161.6 | 100% | 1.209 | 84% | 0.844 | S | S | * | * | trans | -149.4 | 0 | 173.6 | -163 | -177.1 | -176.7 | -173.9 | 0 | 109.1 |
Retrieved 634 of 634 residues in 347 ms
(Link to these results)