| 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 | 49.5 | Very low | 51.8 | Low | 233 Ų | 233 | 141 Ų | 141 | 100% | 1.148 | 82% | 0.824 | S | S | * | * | 0 | 75.2 | 0 | -58.4 | 180 | 175.7 | 0 | 0 | 105.4 | |||||
| 2 | S | 44.9 | Very low | 51 | Low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | 49.5 | 110.6 | 75.1 | -39.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 3 | V | 52.1 | Low | 51 | Low | 139 Ų | 139 | 138.4 Ų | 138.4 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | -164.6 | 159.3 | 61.7 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 4 | P | 56.5 | Low | 51.1 | Low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | trans | -114.2 | -165.5 | -154.6 | 42.7 | -30.7 | 0 | 0 | 0 | 117.1 | ||||
| 5 | E | 43.3 | Very low | 50.5 | Low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -52.3 | 158 | -177.6 | -64.9 | 167.8 | 94.5 | 0 | 0 | 119.2 | ||||
| 6 | S | 55.2 | Low | 50.2 | Low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -169.9 | 115.8 | 144.2 | 40.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | S | 56.1 | Low | 50 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | 94 | 106 | 74.3 | -65.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 8 | D | 48.4 | Very low | 49.5 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 51.8 | 125.7 | 131.8 | -51.1 | -47.4 | 0 | 0 | 0 | 122.6 | ||||
| 9 | N | 56.7 | Low | 49.2 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | -169.1 | 127 | 122.2 | -104.6 | -47.4 | 0 | 0 | 0 | 113.3 | |||||
| 10 | V | 51.4 | Low | 48.8 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | trans | -124.6 | 143.7 | 161.5 | 172.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 11 | P | 55.9 | Low | 48.8 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -131.1 | 141 | 146.6 | 27.4 | -10.3 | 0 | 0 | 0 | 113.8 | ||||
| 12 | T | 41.9 | Very low | 48.4 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -96.9 | 132.9 | 171.5 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 13 | T | 50.6 | Low | 48.4 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -154.6 | 104.5 | 163 | 44.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 14 | T | 52.7 | Low | 48.4 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | 96.1 | 136.1 | 89.3 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 15 | E | 42.3 | Very low | 48.2 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -68.1 | 168.5 | -176.7 | -62.4 | 167.1 | 108.1 | 0 | 0 | 114.9 | ||||
| 16 | G | 46.1 | Very low | 48.5 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 168.5 | 75.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 17 | T | 46.6 | Very low | 48.3 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | 46.5 | 122.4 | 128.3 | -21.3 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 18 | D | 41.2 | Very low | 47.6 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 25.7 | 132.9 | 142.1 | -56.4 | -46.3 | 0 | 0 | 0 | 122.8 | ||||
| 19 | R | 43.9 | Very low | 47.2 | Very low | 245 Ų | 245 | 132.8 Ų | 132.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | -178.7 | 134.4 | 113 | -98.9 | 171.3 | -177.9 | 102.7 | -3.4 | 112.7 | |||||
| 20 | A | 40 | Very low | 46.6 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -96.7 | 132.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 21 | L | 49.5 | Very low | 46.4 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 94% | 0.942 | 79% | 0.791 | S | S | * | * | trans | -156.8 | 118.9 | 155.1 | -67.5 | 178.9 | 0 | 0 | 0 | 103.9 | ||||
| 22 | G | 40.4 | Very low | 45.5 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 86.8 | 92.4 | 54.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 23 | S | 46.4 | Very low | 45.3 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -173.7 | 116.3 | 148.2 | -96.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 24 | S | 50.6 | Low | 45 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -63.3 | 142.7 | 163.7 | -70 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 25 | D | 53.1 | Low | 44.2 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -138.4 | 146.5 | 142.7 | -86.3 | -43.6 | 0 | 0 | 0 | 109.3 | ||||
| 26 | N | 49.3 | Very low | 44.2 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -123.3 | 151.7 | -148.2 | -162.9 | 6.8 | 0 | 0 | 0 | 108.4 | ||||
| 27 | V | 51.8 | Low | 43.8 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | 76.7 | 152.7 | 153.3 | -161.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 28 | P | 41.7 | Very low | 43.9 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 64% | 0.643 | 81% | 0.809 | S | S | * | * | cis | -128.6 | 167.6 | -37.8 | 35.2 | -20.1 | 0 | 0 | 0 | 114 | T30 | P28-T30 PolarHBondContact O-N 3.33Š| ||
| 29 | S | 39.3 | Very low | 43.5 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -47.8 | 122.4 | 155.8 | 37.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 30 | T | 44.5 | Very low | 43.5 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -150.6 | 138.8 | 150.7 | 38.9 | 0 | 0 | 0 | 0 | 111 | P28 | P28-T30 PolarHBondContact O-N 3.33Š| ||
| 31 | T | 46.5 | Very low | 43.8 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 67.8 | 100.6 | 148.8 | 56.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 32 | E | 36.6 | Very low | 43.8 | Very low | 205 Ų | 205 | 131.1 Ų | 131.1 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | 10.5 | 108.7 | 130.1 | -63.4 | -176.6 | 125.5 | 0 | 0 | 116 | ||||
| 33 | G | 38.2 | Very low | 44 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -149.6 | 87.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 34 | R | 45.2 | Very low | 44 | Very low | 220 Ų | 220 | 134 Ų | 134 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 63.8 | 104.6 | 146.5 | -70.7 | 174.9 | 170.4 | 134.9 | -2.4 | 117.7 | R36 | R34-R36 PolarHBondContact O-N 2.93Å; R34-R36 VanDerWaalsContact O-N 3.17Å | ||
| 35 | D | 35 | Very low | 43.5 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -25.9 | 111.2 | 134.6 | -62 | -64.8 | 0 | 0 | 0 | 112.9 | ||||
| 36 | R | 43.1 | Very low | 42.6 | Very low | 207 Ų | 207 | 130.6 Ų | 130.6 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -135.5 | 95 | 146.9 | -81.7 | -165.8 | -177.9 | 110.4 | -1.9 | 108 | R34 L38 | R34-R36 PolarHBondContact O-N 2.93Å; R34-R36 VanDerWaalsContact O-N 3.17Å; R36-L38 PolarHBondContact O-N 3.09Å | ||
| 37 | A | 36.7 | Very low | 42.3 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -52.7 | 106.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 38 | L | 47.8 | Very low | 41.9 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -100.9 | 88.4 | 156.5 | -74.2 | 174.5 | 0 | 0 | 0 | 106.4 | R36 S40 | R36-L38 PolarHBondContact O-N 3.09Å; L38-S40 PolarHBondContact O-N 3.13Å; L38-S40 VanDerWaalsContact O-N 3.1Å | ||
| 39 | G | 33.8 | Very low | 41.7 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | -59.8 | 106 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 40 | S | 44.8 | Very low | 42 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -96.4 | 86.9 | 154.6 | -158.2 | 0 | 0 | 0 | 0 | 105.4 | L38 D42 | L38-S40 PolarHBondContact O-N 3.13Å; L38-S40 VanDerWaalsContact O-N 3.1Å; S40-D42 PolarHBondContact O-N 2.92Å | ||
| 41 | S | 46.4 | Very low | 42.4 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -65 | 97.2 | 163.3 | -152.2 | 0 | 0 | 0 | 0 | 105 | N43 | S41-N43 VanDerWaalsContact C-N 3.25Å; S41-N43 PolarHBondContact O-N 3.27Å | ||
| 42 | D | 49.4 | Very low | 43 | Very low | 128 Ų | 128 | 120.6 Ų | 120.6 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | -60.9 | 103.5 | 164 | -75.7 | -32 | 0 | 0 | 0 | 104.9 | S40 V44 | S40-D42 PolarHBondContact O-N 2.92Å; D42-V44 PolarHBondContact O-N 3.23Å | ||
| 43 | N | 43.4 | Very low | 43.8 | Very low | 151 Ų | 151 | 118.2 Ų | 118.2 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -64.2 | 77.9 | 173.4 | -154.6 | -9.7 | 0 | 0 | 0 | 106.3 | S41 P45 | S41-N43 VanDerWaalsContact C-N 3.25Å; S41-N43 PolarHBondContact O-N 3.27Å; N43-P45 VanDerWaalsContact O-CD 3.23Å; N43-P45 WeakPolarHBondContact O-CD 3.48Å | ||
| 44 | V | 46.6 | Very low | 44.8 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 66% | 0.655 | 71% | 0.707 | S | S | * | * | trans | -61.3 | 114.3 | 162.8 | 177.7 | 0 | 0 | 0 | 0 | 103 | D42 S46 | D42-V44 PolarHBondContact O-N 3.23Å; V44-S46 PolarHBondContact O-N 3Å | ||
| 45 | P | 40.2 | Very low | 45.7 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 58% | 0.584 | 68% | 0.681 | S | S | * | * | trans | -56.6 | 117.3 | 173.7 | 16.5 | -19.6 | 0 | 0 | 0 | 105.4 | N43 T47 | N43-P45 VanDerWaalsContact O-CD 3.23Å; N43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-T47 HydrophobicContact CB-CG2 4.32Å; P45-T47 PolarHBondContact O-N 3.46Å | ||
| 46 | S | 33.5 | Very low | 47.1 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | trans | -61.1 | 75.8 | 164.8 | -65.8 | 0 | 0 | 0 | 0 | 106.2 | V44 S48 | V44-S46 PolarHBondContact O-N 3Å; S46-S48 PolarHBondContact O-N 2.92Å | ||
| 47 | T | 44.8 | Very low | 48 | Very low | 104 Ų | 104 | 104.3 Ų | 104.3 | 64% | 0.638 | 65% | 0.649 | S | S | * | * | trans | -68.5 | 92.9 | 166.8 | 50.2 | 0 | 0 | 0 | 0 | 104 | P45 G49 | P45-T47 HydrophobicContact CB-CG2 4.32Å; P45-T47 PolarHBondContact O-N 3.46Å; T47-G49 PolarHBondContact O-N 2.91Å | ||
| 48 | S | 42.6 | Very low | 49.2 | Very low | 104 Ų | 104 | 106 Ų | 106 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -21.7 | 121.1 | 159.4 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | S46 G50 | S46-S48 PolarHBondContact O-N 2.92Å; S48-G50 PolarHBondContact O-N 3.43Å | ||
| 49 | G | 38.1 | Very low | 50.2 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 84% | 0.835 | 60% | 0.595 | S | S | * | * | trans | -50 | 88.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T47 S51 | T47-G49 PolarHBondContact O-N 2.91Å; G49-S51 PolarHBondContact O-N 3.15Å | ||
| 50 | G | 44.6 | Very low | 51.6 | Low | 49 Ų | 49 | 100.6 Ų | 100.6 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | trans | -60.8 | 99.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | S48 V52 | S48-G50 PolarHBondContact O-N 3.43Å; G50-V52 PolarHBondContact O-N 3.33Å | ||
| 51 | S | 52.9 | Low | 52.1 | Low | 69 Ų | 69 | 104.3 Ų | 104.3 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | trans | -43.8 | 141.8 | -179.4 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | G49 K53 E54 | G49-S51 PolarHBondContact O-N 3.15Å; S51-K53 CarbonylContact O-C 3.16Å; S51-K53 PolarHBondContact O-N 3.46Å; S51-E54 WeakPolarHBondContact O-CA 3.47Å; S51-E54 WeakPolarHBondContact O-CB 3.49Å; S51-E54 PolarHBondContact O-N 2.91Å | ||
| 52 | V | 58.8 | Low | 52.6 | Low | 102 Ų | 102 | 101.6 Ų | 101.6 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -43.1 | -31.8 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | G50 R56 | G50-V52 PolarHBondContact O-N 3.33Å; V52-R56 PolarHBondContact O-N 3.36Å; V52-R56 VanDerWaalsContact O-N 3.1Å |
| 53 | K | 54.4 | Low | 53.2 | Low | 155 Ų | 155 | 97.3 Ų | 97.3 | 67% | 0.674 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.5 | -42.4 | 172.2 | -60.2 | -176.3 | -179.9 | -179.4 | 0 | 114.5 | S51 R56 R57 | S51-K53 CarbonylContact O-C 3.16Å; S51-K53 PolarHBondContact O-N 3.46Å; K53-R56 PolarHBondContact O-N 2.9Å; K53-R57 VanDerWaalsContact O-CG 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.05Å; K53-R57 PolarHBondContact O-N 2.95Å |
| 54 | E | 59.6 | Low | 54.5 | Low | 59 Ų | 59 | 91.4 Ų | 91.4 | 28% | 0.276 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | 179.7 | -177.5 | 55.5 | -156.5 | 0 | 0 | 111.7 | S51 R56 R57 R58 R61 | S51-E54 WeakPolarHBondContact O-CA 3.47Å; S51-E54 WeakPolarHBondContact O-CB 3.49Å; S51-E54 PolarHBondContact O-N 2.91Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; E54-R57 PolarHBondContact O-N 3.03Å; E54-R57 VanDerWaalsContact O-N 3.17Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.47Å; E54-R58 IonicContact OE1-NE 3.15Å; E54-R58 PolarHBondContact OE1-NE 2.81Å; E54-R58 VanDerWaalsContact OE1-NE 3.15Å; E54-R61 IonicContact OE1-NH2 3.89Å |
| 55 | T | 64.2 | Low | 55.8 | Low | 46 Ų | 46 | 90.9 Ų | 90.9 | 28% | 0.282 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 174.4 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | R58 R59 | T55-R58 PolarHBondContact O-N 3.1Å; T55-R59 WeakPolarHBondContact O-CB 3.31Å; T55-R59 PolarHBondContact O-N 3.17Å |
| 56 | R | 63.5 | Low | 57.6 | Low | 104 Ų | 104 | 90.7 Ų | 90.7 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 174.3 | -173.8 | -179 | -177.8 | 168.5 | 6.5 | 111.9 | V52 K53 E54 R58 R59 N60 T209 | V52-R56 PolarHBondContact O-N 3.36Å; V52-R56 VanDerWaalsContact O-N 3.1Å; K53-R56 PolarHBondContact O-N 2.9Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.49Å; R56-R59 PolarHBondContact O-N 3.01Å; R56-N60 WeakPolarHBondContact O-CB 3.36Å; R56-N60 PolarHBondContact O-N 3.21Å; R56-N60 PolarHBondContact O-OD1 3.3Å; R56-T209 PolarHBondContact NH1-O 3.26Å; R56-T209 PolarHBondContact NH2-O 3.42Å |
| 57 | R | 61.1 | Low | 60.1 | Low | 160 Ų | 160 | 85.1 Ų | 85.1 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.4 | -39 | 178.1 | -78.3 | 175.6 | 175.9 | -170.9 | -2.8 | 112.4 | K53 E54 R61 | K53-R57 VanDerWaalsContact O-CG 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.05Å; K53-R57 PolarHBondContact O-N 2.95Å; E54-R57 PolarHBondContact O-N 3.03Å; E54-R57 VanDerWaalsContact O-N 3.17Å; R57-R61 WeakPolarHBondContact O-CB 3.09Å; R57-R61 WeakPolarHBondContact O-CG 3.05Å; R57-R61 PolarHBondContact O-N 3.02Å; R57-R61 VanDerWaalsContact O-N 3.13Å |
| 58 | R | 63.4 | Low | 62.1 | Low | 137 Ų | 137 | 80.3 Ų | 80.3 | 52% | 0.517 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 175.9 | -73 | -175.8 | 177.9 | -148.1 | -0.1 | 111.6 | E54 T55 R56 N60 R61 L62 | E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.47Å; E54-R58 IonicContact OE1-NE 3.15Å; E54-R58 PolarHBondContact OE1-NE 2.81Å; E54-R58 VanDerWaalsContact OE1-NE 3.15Å; T55-R58 PolarHBondContact O-N 3.1Å; R56-R58 VanDerWaalsContact C-N 3.3Å; R56-R58 PolarHBondContact O-N 3.49Å; R58-N60 VanDerWaalsContact C-N 3.26Å; R58-N60 PolarHBondContact O-N 2.69Å; R58-R61 PolarHBondContact O-N 2.86Å; R58-R61 VanDerWaalsContact O-N 3.09Å; R58-L62 PolarHBondContact O-N 3.12Å |
| 59 | R | 68.4 | Low | 64.1 | Low | 9 Ų | 9 | 80.4 Ų | 80.4 | 3% | 0.034 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.1 | -30 | 175.3 | -173.5 | -173.5 | -54.3 | 156.2 | 7.6 | 113.9 | T55 R56 L62 W67 D211 D214 | T55-R59 WeakPolarHBondContact O-CB 3.31Å; T55-R59 PolarHBondContact O-N 3.17Å; R56-R59 PolarHBondContact O-N 3.01Å; R59-L62 CarbonylContact C-O 3.52Å; R59-W67 HydrophobicContact CB-CB 4.36Å; R59-W67 HydrophobicContact CB-CD2 4.31Å; R59-W67 HydrophobicContact CB-CG 3.85Å; R59-W67 HydrophobicContact CG-CB 4.21Å; R59-W67 HydrophobicContact CG-CD2 3.65Å; R59-W67 HydrophobicContact CG-CE3 4.1Å; R59-W67 HydrophobicContact CG-CG 3.65Å; R59-D211 IonicContact CZ-OD1 3.84Å; R59-D211 IonicContact CZ-OD2 3.31Å; R59-D211 IonicContact NH1-OD1 2.71Å; R59-D211 PolarHBondContact NH1-OD1 3.47Å; R59-D211 IonicContact NH1-OD2 3.93Å; R59-D211 PolarHBondContact NH1-OD2 3.17Å; R59-D214 IonicContact NH2-OD1 3.9Å; R59-D214 IonicContact NH2-OD2 3.94Å |
| 60 | N | 62.3 | Low | 66.4 | Low | 118 Ų | 118 | 82.2 Ų | 82.2 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -79 | -26.4 | 175.5 | -72.8 | 0.8 | 0 | 0 | 0 | 112.4 | R56 R58 | R56-N60 WeakPolarHBondContact O-CB 3.36Å; R56-N60 PolarHBondContact O-N 3.21Å; R56-N60 PolarHBondContact O-OD1 3.3Å; R58-N60 VanDerWaalsContact C-N 3.26Å; R58-N60 PolarHBondContact O-N 2.69Å |
| 61 | R | 55 | Low | 68.5 | Low | 180 Ų | 180 | 82.4 Ų | 82.4 | 68% | 0.679 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -81.4 | -42.9 | 179.1 | -85.9 | -171 | -83.3 | -163.5 | -1.1 | 112.5 | E54 R57 R58 | E54-R61 IonicContact OE1-NH2 3.89Å; R57-R61 WeakPolarHBondContact O-CB 3.09Å; R57-R61 WeakPolarHBondContact O-CG 3.05Å; R57-R61 PolarHBondContact O-N 3.02Å; R57-R61 VanDerWaalsContact O-N 3.13Å; R58-R61 PolarHBondContact O-N 2.86Å; R58-R61 VanDerWaalsContact O-N 3.09Å |
| 62 | L | 58.5 | Low | 70.4 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -87.9 | 134.3 | 175.8 | -61.6 | 162.3 | 0 | 0 | 0 | 106.5 | R58 R59 D66 W67 E70 | R58-L62 PolarHBondContact O-N 3.12Å; R59-L62 CarbonylContact C-O 3.52Å; L62-D66 HydrophobicContact CB-CB 4.17Å; L62-W67 HydrophobicContact CB-CB 4.1Å; L62-E70 WeakPolarHBondContact CD1-OE2 3.46Å |
| 63 | G | 62.3 | Low | 72 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | trans | -49.9 | 151 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I65 D66 W67 | G63-I65 PolarHBondContact O-N 3.1Å; G63-D66 PolarHBondContact N-OD2 3.06Å; G63-D66 PolarHBondContact O-N 3.05Å; G63-W67 PolarHBondContact O-N 3.49Å | ||
| 64 | G | 70 | Confident | 73.8 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W67 Y146 | G64-W67 WeakPolarHBondContact O-CZ3 3.47Å; G64-Y146 WeakPolarHBondContact CA-OH 3.47Å; G64-Y146 WeakPolarHBondContact O-CE1 3.45Å; G64-Y146 PolarHBondContact O-OH 2.86Å |
| 65 | I | 73.2 | Confident | 75.3 | Confident | 96 Ų | 96 | 72.9 Ų | 72.9 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -45.4 | 171.4 | -63.1 | 173.5 | 0 | 0 | 0 | 110.4 | G63 W67 L68 Q69 | G63-I65 PolarHBondContact O-N 3.1Å; I65-W67 PolarHBondContact O-N 2.72Å; I65-L68 WeakPolarHBondContact O-CB 3.49Å; I65-L68 PolarHBondContact O-N 3.32Å; I65-L68 VanDerWaalsContact O-N 3.1Å; I65-Q69 PolarHBondContact O-N 3Å; I65-Q69 VanDerWaalsContact O-N 3.12Å |
| 66 | D | 77.7 | Confident | 76.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 47% | 0.465 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | -178.2 | -54 | -26.8 | 0 | 0 | 0 | 111.7 | L62 G63 L68 Q69 E70 | L62-D66 HydrophobicContact CB-CB 4.17Å; G63-D66 PolarHBondContact N-OD2 3.06Å; G63-D66 PolarHBondContact O-N 3.05Å; D66-L68 PolarHBondContact O-N 3.1Å; D66-Q69 PolarHBondContact O-N 2.75Å; D66-E70 WeakPolarHBondContact O-CB 3.24Å; D66-E70 PolarHBondContact O-N 2.86Å |
| 67 | W | 86.3 | Confident | 78.1 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.6 | -36.4 | 176.8 | 140.8 | 83.8 | 0 | 0 | 0 | 111.8 | R59 L62 G63 G64 I65 T71 Y146 F213 | R59-W67 HydrophobicContact CB-CB 4.36Å; R59-W67 HydrophobicContact CB-CD2 4.31Å; R59-W67 HydrophobicContact CB-CG 3.85Å; R59-W67 HydrophobicContact CG-CB 4.21Å; R59-W67 HydrophobicContact CG-CD2 3.65Å; R59-W67 HydrophobicContact CG-CE3 4.1Å; R59-W67 HydrophobicContact CG-CG 3.65Å; L62-W67 HydrophobicContact CB-CB 4.1Å; G63-W67 PolarHBondContact O-N 3.49Å; G64-W67 WeakPolarHBondContact O-CZ3 3.47Å; I65-W67 PolarHBondContact O-N 2.72Å; W67-T71 VanDerWaalsContact CD1-OG1 3.24Å; W67-T71 PolarHBondContact NE1-OG1 3.16Å; W67-T71 WeakPolarHBondContact O-CB 3.45Å; W67-T71 PolarHBondContact O-N 3.19Å; W67-T71 PolarHBondContact O-OG1 3.1Å; W67-Y146 HydrophobicContact CE3-CD1 4.37Å; W67-Y146 HydrophobicContact CE3-CD2 4.23Å; W67-Y146 AromaticContact CE3-CE1 3.91Å; W67-Y146 HydrophobicContact CE3-CE1 3.91Å; W67-Y146 AromaticContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CG 4.47Å; W67-Y146 AromaticContact CE3-CZ 3.5Å; W67-Y146 AromaticContact CH2-CD1 3.82Å; W67-Y146 HydrophobicContact CH2-CD1 3.82Å; W67-Y146 AromaticContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CE1 4.09Å; W67-Y146 AromaticContact CH2-CE2 3.26Å; W67-Y146 HydrophobicContact CH2-CE2 3.26Å; W67-Y146 AromaticContact CH2-CG 3.19Å; W67-Y146 HydrophobicContact CH2-CG 3.19Å; W67-Y146 AromaticContact CH2-CZ 3.8Å; W67-Y146 AromaticContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CE2 4.09Å; W67-Y146 HydrophobicContact CZ2-CG 4.46Å; W67-Y146 AromaticContact CZ3-CD1 3.3Å; W67-Y146 HydrophobicContact CZ3-CD1 3.3Å; W67-Y146 AromaticContact CZ3-CD2 3.15Å; W67-Y146 HydrophobicContact CZ3-CD2 3.15Å; W67-Y146 AromaticContact CZ3-CE1 3.23Å; W67-Y146 HydrophobicContact CZ3-CE1 3.23Å; W67-Y146 AromaticContact CZ3-CE2 3.07Å; W67-Y146 HydrophobicContact CZ3-CE2 3.07Å; W67-Y146 AromaticContact CZ3-CG 3.21Å; W67-Y146 HydrophobicContact CZ3-CG 3.21Å; W67-Y146 AromaticContact CZ3-CZ 3.06Å; W67-F213 HydrophobicContact CH2-CE1 4.2Å; W67-F213 HydrophobicContact CH2-CZ 4.38Å; W67-F213 HydrophobicContact CZ2-CD1 4.24Å; W67-F213 AromaticContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CZ 4.34Å |
| 68 | L | 86.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.7 | -41.1 | -176.6 | -168.9 | 44.5 | 0 | 0 | 0 | 111.1 | I65 D66 V72 V142 Q143 Y146 | I65-L68 WeakPolarHBondContact O-CB 3.49Å; I65-L68 PolarHBondContact O-N 3.32Å; I65-L68 VanDerWaalsContact O-N 3.1Å; D66-L68 PolarHBondContact O-N 3.1Å; L68-V72 HydrophobicContact CD1-CB 4.43Å; L68-V72 HydrophobicContact CD1-CG2 4.36Å; L68-V72 CarbonylContact O-C 3.51Å; L68-V72 WeakPolarHBondContact O-CA 2.84Å; L68-V72 PolarHBondContact O-N 2.62Å; L68-V142 HydrophobicContact CD1-CG1 4.13Å; L68-Q143 HydrophobicContact CD1-CG 4.38Å; L68-Q143 HydrophobicContact CD2-CB 4.1Å; L68-Q143 HydrophobicContact CD2-CG 3.69Å; L68-Q143 HydrophobicContact CG-CG 4.04Å; L68-Y146 HydrophobicContact CD2-CD1 3.91Å; L68-Y146 HydrophobicContact CD2-CG 4.29Å |
| 69 | Q | 84.9 | Confident | 81 | Confident | 107 Ų | 107 | 57 Ų | 57 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 177.1 | -67.9 | -176.6 | -12 | 0 | 0 | 111.2 | I65 D66 P73 | I65-Q69 PolarHBondContact O-N 3Å; I65-Q69 VanDerWaalsContact O-N 3.12Å; D66-Q69 PolarHBondContact O-N 2.75Å; Q69-P73 VanDerWaalsContact O-CA 3.26Å; Q69-P73 WeakPolarHBondContact O-CA 3.27Å; Q69-P73 WeakPolarHBondContact O-CB 3.42Å; Q69-P73 WeakPolarHBondContact O-CD 3.36Å |
| 70 | E | 87.6 | Confident | 82.2 | Confident | 119 Ų | 119 | 61.1 Ų | 61.1 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -72.1 | -42.3 | 176.2 | -170.2 | -177.5 | 156.9 | 0 | 0 | 112.4 | L62 D66 | L62-E70 WeakPolarHBondContact CD1-OE2 3.46Å; D66-E70 WeakPolarHBondContact O-CB 3.24Å; D66-E70 PolarHBondContact O-N 2.86Å |
| 71 | T | 88.6 | Confident | 83.7 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.2 | -34.9 | -178.3 | -53.3 | 0 | 0 | 0 | 0 | 112 | W67 P73 F81 | W67-T71 VanDerWaalsContact CD1-OG1 3.24Å; W67-T71 PolarHBondContact NE1-OG1 3.16Å; W67-T71 WeakPolarHBondContact O-CB 3.45Å; W67-T71 PolarHBondContact O-N 3.19Å; W67-T71 PolarHBondContact O-OG1 3.1Å; T71-P73 VanDerWaalsContact C-CD 3.45Å; T71-F81 HydrophobicContact CG2-CD2 3.73Å; T71-F81 HydrophobicContact CG2-CE2 4.03Å |
| 72 | V | 92.1 | Very high | 85.5 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | trans | -133.5 | 65 | -174.4 | -166 | 0 | 0 | 0 | 0 | 111 | L68 D74 A78 F81 R139 V142 | L68-V72 HydrophobicContact CD1-CB 4.43Å; L68-V72 HydrophobicContact CD1-CG2 4.36Å; L68-V72 CarbonylContact O-C 3.51Å; L68-V72 WeakPolarHBondContact O-CA 2.84Å; L68-V72 PolarHBondContact O-N 2.62Å; V72-D74 VanDerWaalsContact C-N 3.32Å; V72-D74 PolarHBondContact O-N 3.29Å; V72-A78 HydrophobicContact CG1-CB 3.45Å; V72-A78 VanDerWaalsContact CG1-CB 3.45Å; V72-F81 HydrophobicContact CG2-CB 4.33Å; V72-F81 HydrophobicContact CG2-CG 4.23Å; V72-R139 HydrophobicContact CG1-CB 4.41Å; V72-R139 HydrophobicContact CG1-CG 4.07Å; V72-R139 PolarHBondContact O-NE 2.85Å; V72-R139 VanDerWaalsContact O-NE 3.13Å; V72-V142 HydrophobicContact CG2-CG1 4.22Å | ||
| 73 | P | 91.9 | Very high | 87.2 | Confident | 62 Ų | 62 | 48.1 Ų | 48.1 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -69.8 | -28.2 | -179.1 | 26.9 | -36.1 | 0 | 0 | 0 | 113 | Q69 T71 A77 R139 | Q69-P73 VanDerWaalsContact O-CA 3.26Å; Q69-P73 WeakPolarHBondContact O-CA 3.27Å; Q69-P73 WeakPolarHBondContact O-CB 3.42Å; Q69-P73 WeakPolarHBondContact O-CD 3.36Å; T71-P73 VanDerWaalsContact C-CD 3.45Å; P73-A77 HydrophobicContact CG-CB 4.06Å; P73-R139 PolarHBondContact O-NE 3.48Å; P73-R139 PolarHBondContact O-NH1 3.07Å; P73-R139 PolarHBondContact O-NH2 2.85Å; P73-R139 VanDerWaalsContact O-NH2 3.08Å |
| 74 | D | 92.5 | Very high | 88.6 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -143.4 | -179.7 | -177 | 66 | 44 | 0 | 0 | 0 | 112.4 | V72 N76 A77 A78 | V72-D74 VanDerWaalsContact C-N 3.32Å; V72-D74 PolarHBondContact O-N 3.29Å; D74-N76 WeakPolarHBondContact OD1-CA 3.46Å; D74-N76 WeakPolarHBondContact OD1-CB 3.4Å; D74-N76 PolarHBondContact OD1-N 3.31Å; D74-A77 WeakPolarHBondContact OD1-CB 3.19Å; D74-A77 PolarHBondContact OD1-N 3.18Å; D74-A78 PolarHBondContact O-N 2.91Å; D74-A78 VanDerWaalsContact O-N 3.1Å |
| 75 | E | 92 | Very high | 89.6 | Confident | 49 Ų | 49 | 52 Ų | 52 | 23% | 0.229 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.7 | -31.4 | -178.8 | -170 | 74.7 | 175 | 0 | 0 | 112.3 | A78 V79 M108 R124 P137 L138 R139 | E75-A78 WeakPolarHBondContact O-CB 3.38Å; E75-A78 PolarHBondContact O-N 3.24Å; E75-V79 WeakPolarHBondContact O-CG2 3.39Å; E75-V79 PolarHBondContact O-N 2.91Å; E75-M108 HydrophobicContact CB-CE 4.03Å; E75-M108 HydrophobicContact CG-CE 3.37Å; E75-M108 HydrophobicContact CG-SD 4.22Å; E75-R124 IonicContact OE1-NH2 2.76Å; E75-P137 WeakPolarHBondContact OE1-CA 3.47Å; E75-P137 WeakPolarHBondContact OE2-CB 3.44Å; E75-L138 VanDerWaalsContact CD-N 3.26Å; E75-L138 WeakPolarHBondContact OE1-CB 3.34Å; E75-L138 PolarHBondContact OE1-N 3.21Å; E75-L138 PolarHBondContact OE2-N 2.68Å; E75-R139 WeakPolarHBondContact OE2-CB 3.25Å; E75-R139 PolarHBondContact OE2-N 2.87Å |
| 76 | N | 92 | Very high | 90.5 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 178.5 | -67 | -34.3 | 0 | 0 | 0 | 110.9 | D74 A78 V79 L80 G106 M108 | D74-N76 WeakPolarHBondContact OD1-CA 3.46Å; D74-N76 WeakPolarHBondContact OD1-CB 3.4Å; D74-N76 PolarHBondContact OD1-N 3.31Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.71Å; N76-V79 PolarHBondContact O-N 2.68Å; N76-L80 WeakPolarHBondContact O-CB 3.39Å; N76-L80 PolarHBondContact O-N 3.07Å; N76-G106 PolarHBondContact OD1-O 3.17Å; N76-G106 VanDerWaalsContact OD1-O 3.13Å; N76-M108 WeakPolarHBondContact OD1-CE 3.38Å |
| 77 | A | 93.5 | Very high | 91.2 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | P73 D74 L80 F81 | P73-A77 HydrophobicContact CG-CB 4.06Å; D74-A77 WeakPolarHBondContact OD1-CB 3.19Å; D74-A77 PolarHBondContact OD1-N 3.18Å; A77-L80 PolarHBondContact O-N 3.33Å; A77-F81 WeakPolarHBondContact O-CB 3.31Å; A77-F81 PolarHBondContact O-N 2.93Å |
| 78 | A | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V72 D74 E75 N76 F81 L82 L138 R139 | V72-A78 HydrophobicContact CG1-CB 3.45Å; V72-A78 VanDerWaalsContact CG1-CB 3.45Å; D74-A78 PolarHBondContact O-N 2.91Å; D74-A78 VanDerWaalsContact O-N 3.1Å; E75-A78 WeakPolarHBondContact O-CB 3.38Å; E75-A78 PolarHBondContact O-N 3.24Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.71Å; A78-F81 PolarHBondContact O-N 3.32Å; A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 2.63Å; A78-L138 HydrophobicContact CB-CB 4.05Å; A78-R139 HydrophobicContact CB-CB 4.04Å |
| 79 | V | 92.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | E75 N76 L82 R83 L88 M108 V123 L138 | E75-V79 WeakPolarHBondContact O-CG2 3.39Å; E75-V79 PolarHBondContact O-N 2.91Å; N76-V79 PolarHBondContact O-N 2.68Å; V79-L82 PolarHBondContact O-N 2.83Å; V79-R83 HydrophobicContact CG1-CG 4.31Å; V79-R83 WeakPolarHBondContact O-CB 3.48Å; V79-R83 VanDerWaalsContact O-CG 3.3Å; V79-R83 WeakPolarHBondContact O-CG 3.38Å; V79-R83 PolarHBondContact O-N 3.09Å; V79-L88 HydrophobicContact CB-CD1 4.5Å; V79-L88 HydrophobicContact CG1-CD1 4.18Å; V79-M108 HydrophobicContact CG2-CE 3.61Å; V79-M108 HydrophobicContact CG2-SD 3.61Å; V79-V123 HydrophobicContact CG2-CG2 4.39Å; V79-L138 HydrophobicContact CG2-CD1 3.49Å; V79-L138 VanDerWaalsContact CG2-CD1 3.49Å |
| 80 | L | 92.5 | Very high | 92 | Very high | 95 Ų | 95 | 50.1 Ų | 50.1 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | -179.3 | -177.3 | 62.4 | 0 | 0 | 0 | 111 | N76 A77 L82 R83 I84 | N76-L80 WeakPolarHBondContact O-CB 3.39Å; N76-L80 PolarHBondContact O-N 3.07Å; A77-L80 PolarHBondContact O-N 3.33Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.82Å; L80-R83 PolarHBondContact O-N 3.43Å; L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.43Å; L80-I84 HydrophobicContact CG-CD1 3.91Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.37Å; L80-I84 PolarHBondContact O-N 2.71Å |
| 81 | F | 93.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.2 | -48.9 | 175.9 | 176 | -97 | 0 | 0 | 0 | 111.5 | T71 V72 A77 A78 R83 I84 K85 V142 F213 L217 | T71-F81 HydrophobicContact CG2-CD2 3.73Å; T71-F81 HydrophobicContact CG2-CE2 4.03Å; V72-F81 HydrophobicContact CG2-CB 4.33Å; V72-F81 HydrophobicContact CG2-CG 4.23Å; A77-F81 WeakPolarHBondContact O-CB 3.31Å; A77-F81 PolarHBondContact O-N 2.93Å; A78-F81 PolarHBondContact O-N 3.32Å; F81-R83 PolarHBondContact O-N 3.31Å; F81-I84 PolarHBondContact O-N 3.18Å; F81-K85 HydrophobicContact CD1-CG 4.39Å; F81-K85 HydrophobicContact CE1-CG 3.93Å; F81-K85 HydrophobicContact CE2-CG 4.18Å; F81-K85 HydrophobicContact CZ-CD 4.28Å; F81-K85 HydrophobicContact CZ-CG 3.8Å; F81-K85 WeakPolarHBondContact O-CG 3.23Å; F81-K85 PolarHBondContact O-N 2.83Å; F81-V142 HydrophobicContact CD1-CG1 4.3Å; F81-V142 HydrophobicContact CD1-CG2 4.35Å; F81-V142 HydrophobicContact CE1-CG1 4.16Å; F81-F213 HydrophobicContact CE1-CE1 4.3Å; F81-F213 HydrophobicContact CE1-CZ 4.14Å; F81-F213 AromaticContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CZ 4.11Å; F81-L217 HydrophobicContact CE1-CD1 4.31Å; F81-L217 HydrophobicContact CZ-CD1 4.24Å |
| 82 | L | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -33.9 | 179.7 | -68.5 | 172 | 0 | 0 | 0 | 112.7 | A78 V79 L80 K85 G86 L87 L88 F129 L138 V142 | A78-L82 WeakPolarHBondContact O-CB 3.48Å; A78-L82 WeakPolarHBondContact O-CG 3.46Å; A78-L82 PolarHBondContact O-N 2.63Å; V79-L82 PolarHBondContact O-N 2.83Å; L80-L82 VanDerWaalsContact C-N 3.34Å; L80-L82 PolarHBondContact O-N 2.82Å; L82-K85 PolarHBondContact O-N 3.42Å; L82-G86 PolarHBondContact O-N 3.46Å; L82-G86 VanDerWaalsContact O-N 3.11Å; L82-L87 HydrophobicContact CB-CB 4.31Å; L82-L87 HydrophobicContact CD2-CB 4.02Å; L82-L87 HydrophobicContact CD2-CD1 3.62Å; L82-L87 HydrophobicContact CD2-CG 4.49Å; L82-L87 PolarHBondContact O-N 2.89Å; L82-L88 HydrophobicContact CB-CB 4.37Å; L82-L88 HydrophobicContact CB-CD1 3.68Å; L82-L88 HydrophobicContact CB-CG 3.71Å; L82-L88 HydrophobicContact CD1-CD1 4Å; L82-L88 HydrophobicContact CD1-CG 4.31Å; L82-L88 PolarHBondContact O-N 3.31Å; L82-F129 HydrophobicContact CD1-CE2 4.23Å; L82-F129 HydrophobicContact CD1-CZ 4.17Å; L82-F129 HydrophobicContact CD2-CE2 3.99Å; L82-F129 HydrophobicContact CD2-CZ 3.86Å; L82-L138 HydrophobicContact CD1-CB 4.1Å; L82-L138 HydrophobicContact CD1-CD1 4.35Å; L82-L138 HydrophobicContact CD1-CD2 3.81Å; L82-L138 HydrophobicContact CD1-CG 4.3Å; L82-V142 HydrophobicContact CD1-CG2 4.05Å; L82-V142 HydrophobicContact CD2-CG2 3.84Å; L82-V142 HydrophobicContact CG-CG2 3.95Å |
| 83 | R | 92.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 57 Ų | 57 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 172.2 | -73.1 | 176.4 | 73.8 | -150.1 | -0.2 | 111.7 | V79 L80 F81 K85 G86 L88 H89 R90 | V79-R83 HydrophobicContact CG1-CG 4.31Å; V79-R83 WeakPolarHBondContact O-CB 3.48Å; V79-R83 VanDerWaalsContact O-CG 3.3Å; V79-R83 WeakPolarHBondContact O-CG 3.38Å; V79-R83 PolarHBondContact O-N 3.09Å; L80-R83 PolarHBondContact O-N 3.43Å; F81-R83 PolarHBondContact O-N 3.31Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 3.3Å; R83-G86 PolarHBondContact O-N 3.3Å; R83-L88 HydrophobicContact CG-CB 3.77Å; R83-H89 PolarHBondContact NE-O 3.02Å; R83-R90 PolarHBondContact NH2-O 3.47Å; R83-R90 VanDerWaalsContact O-CG 3.32Å; R83-R90 WeakPolarHBondContact O-CG 3.41Å; R83-R90 PolarHBondContact O-NE 3.46Å |
| 84 | I | 91.9 | Very high | 92.4 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 46% | 0.456 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.2 | -69.9 | 167.7 | 0 | 0 | 0 | 109.8 | L80 F81 G86 R90 | L80-I84 HydrophobicContact CD1-CD1 4.21Å; L80-I84 HydrophobicContact CD1-CG1 4.43Å; L80-I84 HydrophobicContact CG-CD1 3.91Å; L80-I84 VanDerWaalsContact O-CG1 3.3Å; L80-I84 WeakPolarHBondContact O-CG1 3.37Å; L80-I84 PolarHBondContact O-N 2.71Å; F81-I84 PolarHBondContact O-N 3.18Å; I84-G86 PolarHBondContact O-N 3.17Å; I84-R90 PolarHBondContact O-NH2 3.4Å |
| 85 | K | 91.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7 | 174.9 | -68.7 | -72.2 | -178.5 | 171.5 | 0 | 114.2 | F81 L82 R83 L87 D214 L217 | F81-K85 HydrophobicContact CD1-CG 4.39Å; F81-K85 HydrophobicContact CE1-CG 3.93Å; F81-K85 HydrophobicContact CE2-CG 4.18Å; F81-K85 HydrophobicContact CZ-CD 4.28Å; F81-K85 HydrophobicContact CZ-CG 3.8Å; F81-K85 WeakPolarHBondContact O-CG 3.23Å; F81-K85 PolarHBondContact O-N 2.83Å; L82-K85 PolarHBondContact O-N 3.42Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 3.3Å; K85-L87 HydrophobicContact CB-CD1 4.03Å; K85-L87 HydrophobicContact CB-CG 4.16Å; K85-L87 PolarHBondContact O-N 3.36Å; K85-D214 IonicContact NZ-OD1 2.94Å; K85-D214 PolarHBondContact NZ-OD1 3.3Å; K85-L217 HydrophobicContact CD-CD1 4.05Å; K85-L217 HydrophobicContact CG-CD1 4.27Å |
| 86 | G | 92.3 | Very high | 92.5 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 3.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L82 R83 I84 L88 L221 | L82-G86 PolarHBondContact O-N 3.46Å; L82-G86 VanDerWaalsContact O-N 3.11Å; R83-G86 PolarHBondContact O-N 3.3Å; I84-G86 PolarHBondContact O-N 3.17Å; G86-L88 VanDerWaalsContact C-N 3.32Å; G86-L221 WeakPolarHBondContact O-CD1 3.41Å |
| 87 | L | 92.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -77.4 | -19.7 | -179.2 | -69.5 | 172.2 | 0 | 0 | 0 | 113.3 | L82 K85 F129 L217 I220 L221 | L82-L87 HydrophobicContact CB-CB 4.31Å; L82-L87 HydrophobicContact CD2-CB 4.02Å; L82-L87 HydrophobicContact CD2-CD1 3.62Å; L82-L87 HydrophobicContact CD2-CG 4.49Å; L82-L87 PolarHBondContact O-N 2.89Å; K85-L87 HydrophobicContact CB-CD1 4.03Å; K85-L87 HydrophobicContact CB-CG 4.16Å; K85-L87 PolarHBondContact O-N 3.36Å; L87-F129 HydrophobicContact CB-CE2 4.09Å; L87-L217 HydrophobicContact CD1-CB 4.16Å; L87-L217 HydrophobicContact CD1-CD2 3.57Å; L87-L217 HydrophobicContact CD1-CG 4.27Å; L87-I220 HydrophobicContact CD2-CB 3.8Å; L87-I220 HydrophobicContact CD2-CG2 3.56Å; L87-L221 HydrophobicContact CD2-CB 3.91Å; L87-L221 HydrophobicContact CD2-CD1 4.45Å |
| 88 | L | 92.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -118.6 | 151.3 | 165.2 | -64.3 | 177.6 | 0 | 0 | 0 | 109.3 | V79 L82 R83 G86 R90 V123 T127 F129 L138 | V79-L88 HydrophobicContact CB-CD1 4.5Å; V79-L88 HydrophobicContact CG1-CD1 4.18Å; L82-L88 HydrophobicContact CB-CB 4.37Å; L82-L88 HydrophobicContact CB-CD1 3.68Å; L82-L88 HydrophobicContact CB-CG 3.71Å; L82-L88 HydrophobicContact CD1-CD1 4Å; L82-L88 HydrophobicContact CD1-CG 4.31Å; L82-L88 PolarHBondContact O-N 3.31Å; R83-L88 HydrophobicContact CG-CB 3.77Å; G86-L88 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.44Å; L88-V123 HydrophobicContact CD1-CB 4.5Å; L88-V123 HydrophobicContact CD1-CG2 4.5Å; L88-T127 HydrophobicContact CD2-CG2 4.04Å; L88-F129 HydrophobicContact CD2-CD2 4.18Å; L88-L138 HydrophobicContact CD1-CD1 3.93Å |
| 89 | H | 91 | Very high | 92.5 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | trans | -53.9 | 124.8 | 176.2 | -64.2 | 92.5 | 0 | 0 | 0 | 110.9 | R83 R92 W110 S125 T127 | R83-H89 PolarHBondContact NE-O 3.02Å; H89-R92 HydrophobicContact CB-CB 4.21Å; H89-W110 HydrophobicContact CB-CZ2 4.22Å; H89-W110 WeakPolarHBondContact O-CZ2 3.19Å; H89-S125 PolarHBondContact CE1-O 2.72Å; H89-T127 VanDerWaalsContact CE1-CG2 3.47Å; H89-T127 WeakPolarHBondContact CE1-CG2 3.26Å; H89-T127 WeakPolarHBondContact ND1-CG2 3.44Å | ||
| 90 | R | 90.6 | Very high | 92.6 | Very high | 154 Ų | 154 | 60.3 Ų | 60.3 | 58% | 0.581 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -74.4 | -43.6 | 169 | -69.8 | -175.2 | -178.1 | 177.5 | 1.4 | 110.5 | R83 I84 L88 W110 | R83-R90 PolarHBondContact NH2-O 3.47Å; R83-R90 VanDerWaalsContact O-CG 3.32Å; R83-R90 WeakPolarHBondContact O-CG 3.41Å; R83-R90 PolarHBondContact O-NE 3.46Å; I84-R90 PolarHBondContact O-NH2 3.4Å; L88-R90 PolarHBondContact O-N 3.44Å; R90-W110 WeakPolarHBondContact O-CH2 3.15Å |
| 91 | E | 89.9 | Confident | 92.7 | Very high | 172 Ų | 172 | 56.3 Ų | 56.3 | 80% | 0.804 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -131.4 | 153 | 172.5 | -68.7 | 172.4 | -163.8 | 0 | 0 | 108.2 | ||
| 92 | R | 90.8 | Very high | 92.6 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 133.9 | -177.4 | -172.7 | 169.5 | 177.1 | -155.8 | -3.2 | 112.3 | H89 M101 W110 S122 | H89-R92 HydrophobicContact CB-CB 4.21Å; R92-M101 HydrophobicContact CG-SD 4.3Å; R92-M101 WeakPolarHBondContact O-CB 3.47Å; R92-M101 PolarHBondContact O-N 3.03Å; R92-W110 HydrophobicContact CB-CD2 3.86Å; R92-W110 HydrophobicContact CB-CE3 4.02Å; R92-W110 HydrophobicContact CB-CG 4.36Å; R92-W110 HydrophobicContact CB-CH2 4.41Å; R92-W110 HydrophobicContact CB-CZ2 4.26Å; R92-W110 HydrophobicContact CB-CZ3 4.28Å; R92-S122 PolarHBondContact NH1-O 3.29Å |
| 93 | M | 93.6 | Very high | 92.6 | Very high | 120 Ų | 120 | 63 Ų | 63 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 142.2 | 169.6 | -59 | -58 | -88.2 | 0 | 0 | 110.4 | P95 G98 | M93-P95 WeakPolarHBondContact O-CD 3.44Å; M93-G98 WeakPolarHBondContact CE-O 3.36Å |
| 94 | C | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | trans | -68 | 121.2 | 176.6 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | C96 C97 G98 Q99 M101 C112 | C94-C96 PolarHBondContact O-N 3.48Å; C94-C97 PolarHBondContact O-N 2.83Å; C94-G98 WeakPolarHBondContact O-CA 3.18Å; C94-G98 PolarHBondContact O-N 2.89Å; C94-Q99 WeakPolarHBondContact CB-O 3.35Å; C94-Q99 PolarHBondContact N-O 3.35Å; C94-M101 HydrophobicContact CB-CG 3.82Å; C94-M101 HydrophobicContact CB-SD 4.04Å; C94-C112 HydrophobicContact CB-CB 4.11Å | ||
| 95 | P | 92.2 | Very high | 92 | Very high | 86 Ų | 86 | 62.6 Ų | 62.6 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.1 | -179.1 | 27.7 | -35.9 | 0 | 0 | 0 | 113 | M93 F121 | M93-P95 WeakPolarHBondContact O-CD 3.44Å; P95-F121 HydrophobicContact CG-CE1 3.73Å; P95-F121 HydrophobicContact CG-CE2 3.79Å; P95-F121 HydrophobicContact CG-CZ 3.29Å |
| 96 | C | 93.2 | Very high | 91.6 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -19.3 | -176.7 | -56.1 | 0 | 0 | 0 | 0 | 114.3 | C94 K119 | C94-C96 PolarHBondContact O-N 3.48Å; C96-K119 HydrophobicContact CB-CD 3.81Å; C96-K119 WeakPolarHBondContact SG-CD 3.49Å; C96-K119 PolarHBondContact SG-NZ 2.99Å |
| 97 | C | 94.5 | Very high | 91.3 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 0.9 | -177.1 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | C94 Q99 C112 K114 C117 | C94-C97 PolarHBondContact O-N 2.83Å; C97-Q99 PolarHBondContact O-N 3.2Å; C97-C112 PolarHBondContact SG-SG 3.3Å; C97-K114 HydrophobicContact CB-CD 3.81Å; C97-C117 HydrophobicContact CB-CB 4.3Å |
| 98 | G | 93.4 | Very high | 91.1 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | trans | 66.2 | 15.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M93 C94 | M93-G98 WeakPolarHBondContact CE-O 3.36Å; C94-G98 WeakPolarHBondContact O-CA 3.18Å; C94-G98 PolarHBondContact O-N 2.89Å | ||
| 99 | Q | 92.5 | Very high | 91.1 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 147.4 | 176.5 | -68.6 | -64 | -55.1 | 0 | 0 | 111.5 | C94 C97 M101 K114 | C94-Q99 WeakPolarHBondContact CB-O 3.35Å; C94-Q99 PolarHBondContact N-O 3.35Å; C97-Q99 PolarHBondContact O-N 3.2Å; Q99-M101 PolarHBondContact O-N 3.18Å; Q99-K114 HydrophobicContact CG-CB 4.25Å; Q99-K114 HydrophobicContact CG-CD 3.98Å; Q99-K114 HydrophobicContact CG-CG 4.49Å |
| 100 | G | 93.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 63.6 Ų | 63.6 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 131.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 101 | M | 95.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.059 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 145.2 | 174.9 | -61.3 | -172.3 | 73.6 | 0 | 0 | 109.6 | R92 C94 Q99 W110 C112 F121 | R92-M101 HydrophobicContact CG-SD 4.3Å; R92-M101 WeakPolarHBondContact O-CB 3.47Å; R92-M101 PolarHBondContact O-N 3.03Å; C94-M101 HydrophobicContact CB-CG 3.82Å; C94-M101 HydrophobicContact CB-SD 4.04Å; Q99-M101 PolarHBondContact O-N 3.18Å; M101-W110 HydrophobicContact CB-CB 4.22Å; M101-W110 HydrophobicContact CB-CE3 3.8Å; M101-W110 HydrophobicContact CE-CB 3.52Å; M101-W110 VanDerWaalsContact CE-O 3.23Å; M101-W110 WeakPolarHBondContact CE-O 3.49Å; M101-W110 WeakPolarHBondContact O-CZ3 3.47Å; M101-W110 HydrophobicContact SD-CB 3.96Å; M101-C112 HydrophobicContact CE-CB 4.1Å; M101-C112 HydrophobicContact CG-CB 4.35Å; M101-F121 HydrophobicContact CE-CD2 3.54Å; M101-F121 HydrophobicContact CE-CE2 4.25Å; M101-F121 HydrophobicContact SD-CD2 3.98Å; M101-F121 HydrophobicContact SD-CE2 4.49Å |
| 102 | H | 93.1 | Very high | 91.7 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 146.7 | 170.5 | -57.1 | -111.2 | 0 | 0 | 0 | 110 | R111 Y113 | H102-R111 PolarHBondContact N-O 3.01Å; H102-R111 PolarHBondContact O-N 3.42Å; H102-Y113 HydrophobicContact CB-CD2 4.16Å; H102-Y113 HydrophobicContact CB-CE2 3.7Å; H102-Y113 AromaticContact CD2-CD2 3.6Å |
| 103 | L | 92.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 57.2 Ų | 57.2 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.4 | 173.5 | -166.7 | 62.6 | 0 | 0 | 0 | 108.7 | W110 V123 | L103-W110 HydrophobicContact CB-CE3 4.3Å; L103-W110 HydrophobicContact CB-CH2 4.27Å; L103-W110 HydrophobicContact CB-CZ3 4.06Å; L103-W110 HydrophobicContact CD1-CD2 4.05Å; L103-W110 HydrophobicContact CD1-CE3 4.42Å; L103-W110 HydrophobicContact CD1-CG 4.42Å; L103-W110 HydrophobicContact CD1-CZ2 4.19Å; L103-V123 HydrophobicContact CD1-CG1 3.58Å |
| 104 | A | 89.8 | Confident | 91.7 | Very high | 10 Ų | 10 | 56 Ų | 56 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 157.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G106 G107 V109 | A104-G106 PolarHBondContact O-N 3.02Å; A104-G107 PolarHBondContact O-N 3.47Å; A104-V109 HydrophobicContact CB-CB 4.31Å; A104-V109 VanDerWaalsContact CB-O 3.31Å; A104-V109 WeakPolarHBondContact CB-O 3.3Å; A104-V109 PolarHBondContact N-O 3.08Å |
| 105 | P | 83 | Confident | 91.7 | Very high | 132 Ų | 132 | 66.2 Ų | 66.2 | 86% | 0.857 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | 133.9 | 169.6 | -26.2 | 34.8 | 0 | 0 | 0 | 110.9 | ||
| 106 | G | 83.7 | Confident | 91.8 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N76 A104 M108 | N76-G106 PolarHBondContact OD1-O 3.17Å; N76-G106 VanDerWaalsContact OD1-O 3.13Å; A104-G106 PolarHBondContact O-N 3.02Å; G106-M108 WeakPolarHBondContact O-CG 3.35Å; G106-M108 PolarHBondContact O-N 3.13Å |
| 107 | G | 85.9 | Confident | 91.8 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | S | Bend | trans | 72.2 | 5.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | A104 V123 | A104-G107 PolarHBondContact O-N 3.47Å; G107-V123 WeakPolarHBondContact O-CG1 3.32Å |
| 108 | M | 88.2 | Confident | 91.7 | Very high | 59 Ų | 59 | 72.3 Ų | 72.3 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -101.7 | -16.9 | -173 | -62.6 | -57.7 | 158.1 | 0 | 0 | 114.8 | E75 N76 V79 G106 V123 | E75-M108 HydrophobicContact CB-CE 4.03Å; E75-M108 HydrophobicContact CG-CE 3.37Å; E75-M108 HydrophobicContact CG-SD 4.22Å; N76-M108 WeakPolarHBondContact OD1-CE 3.38Å; V79-M108 HydrophobicContact CG2-CE 3.61Å; V79-M108 HydrophobicContact CG2-SD 3.61Å; G106-M108 WeakPolarHBondContact O-CG 3.35Å; G106-M108 PolarHBondContact O-N 3.13Å; M108-V123 PolarHBondContact O-N 3.49Å; M108-V123 HydrophobicContact SD-CG2 4.43Å |
| 109 | V | 92 | Very high | 91.8 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 124.3 | -170.5 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | A104 K120 F121 | A104-V109 HydrophobicContact CB-CB 4.31Å; A104-V109 VanDerWaalsContact CB-O 3.31Å; A104-V109 WeakPolarHBondContact CB-O 3.3Å; A104-V109 PolarHBondContact N-O 3.08Å; V109-K120 HydrophobicContact CG1-CB 3.91Å; V109-K120 HydrophobicContact CG1-CG 4.33Å; V109-F121 CarbonylContact C-O 3.56Å; V109-F121 WeakPolarHBondContact CA-O 3.26Å |
| 110 | W | 93.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 76.9 Ų | 76.9 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 130.3 | 165 | -68.4 | 100 | 0 | 0 | 0 | 109.8 | H89 R90 R92 M101 L103 K120 F121 | H89-W110 HydrophobicContact CB-CZ2 4.22Å; H89-W110 WeakPolarHBondContact O-CZ2 3.19Å; R90-W110 WeakPolarHBondContact O-CH2 3.15Å; R92-W110 HydrophobicContact CB-CD2 3.86Å; R92-W110 HydrophobicContact CB-CE3 4.02Å; R92-W110 HydrophobicContact CB-CG 4.36Å; R92-W110 HydrophobicContact CB-CH2 4.41Å; R92-W110 HydrophobicContact CB-CZ2 4.26Å; R92-W110 HydrophobicContact CB-CZ3 4.28Å; M101-W110 HydrophobicContact CB-CB 4.22Å; M101-W110 HydrophobicContact CB-CE3 3.8Å; M101-W110 HydrophobicContact CE-CB 3.52Å; M101-W110 VanDerWaalsContact CE-O 3.23Å; M101-W110 WeakPolarHBondContact CE-O 3.49Å; M101-W110 WeakPolarHBondContact O-CZ3 3.47Å; M101-W110 HydrophobicContact SD-CB 3.96Å; L103-W110 HydrophobicContact CB-CE3 4.3Å; L103-W110 HydrophobicContact CB-CH2 4.27Å; L103-W110 HydrophobicContact CB-CZ3 4.06Å; L103-W110 HydrophobicContact CD1-CD2 4.05Å; L103-W110 HydrophobicContact CD1-CE3 4.42Å; L103-W110 HydrophobicContact CD1-CG 4.42Å; L103-W110 HydrophobicContact CD1-CZ2 4.19Å; W110-K120 CarbonylContact O-C 3.4Å; W110-K120 VanDerWaalsContact O-CA 3.31Å; W110-K120 WeakPolarHBondContact O-CA 3.33Å; W110-F121 HydrophobicContact CB-CB 4.5Å; W110-F121 PolarHBondContact N-O 2.85Å; W110-F121 PolarHBondContact O-N 3.3Å |
| 111 | R | 95 | Very high | 91.7 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128 | 176.9 | -174.6 | 179.8 | -64 | -173.2 | 1.2 | 110.6 | H102 Y113 K120 | H102-R111 PolarHBondContact N-O 3.01Å; H102-R111 PolarHBondContact O-N 3.42Å; R111-Y113 HydrophobicContact CB-CD2 4.47Å; R111-Y113 HydrophobicContact CB-CE2 3.88Å; R111-Y113 HydrophobicContact CG-CD2 4.31Å; R111-Y113 HydrophobicContact CG-CE2 3.93Å; R111-Y113 WeakPolarHBondContact O-CD2 3.37Å; R111-K120 HydrophobicContact CG-CG 4.47Å |
| 112 | C | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 126.2 | 169.5 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | C94 C97 M101 R118 K119 | C94-C112 HydrophobicContact CB-CB 4.11Å; C97-C112 PolarHBondContact SG-SG 3.3Å; M101-C112 HydrophobicContact CE-CB 4.1Å; M101-C112 HydrophobicContact CG-CB 4.35Å; C112-R118 VanDerWaalsContact O-CA 3.29Å; C112-R118 WeakPolarHBondContact O-CA 3.29Å; C112-K119 PolarHBondContact N-O 3.14Å |
| 113 | Y | 92.3 | Very high | 91.4 | Very high | 123 Ų | 123 | 73.8 Ų | 73.8 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | trans | -94.5 | -7 | -178.1 | -77.2 | -97.7 | 0 | 0 | 0 | 114 | H102 R111 R115 | H102-Y113 HydrophobicContact CB-CD2 4.16Å; H102-Y113 HydrophobicContact CB-CE2 3.7Å; H102-Y113 AromaticContact CD2-CD2 3.6Å; R111-Y113 HydrophobicContact CB-CD2 4.47Å; R111-Y113 HydrophobicContact CB-CE2 3.88Å; R111-Y113 HydrophobicContact CG-CD2 4.31Å; R111-Y113 HydrophobicContact CG-CE2 3.93Å; R111-Y113 WeakPolarHBondContact O-CD2 3.37Å; Y113-R115 PolarHBondContact O-N 2.98Å; Y113-R115 VanDerWaalsContact O-N 3.07Å | ||
| 114 | K | 92.9 | Very high | 91.4 | Very high | 94 Ų | 94 | 73.5 Ų | 73.5 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | trans | -53.3 | 119.8 | 170.8 | -169.2 | -179.4 | -170.9 | 172.8 | 0 | 109.2 | C97 Q99 S116 C117 R118 | C97-K114 HydrophobicContact CB-CD 3.81Å; Q99-K114 HydrophobicContact CG-CB 4.25Å; Q99-K114 HydrophobicContact CG-CD 3.98Å; Q99-K114 HydrophobicContact CG-CG 4.49Å; K114-S116 WeakPolarHBondContact CE-OG 3.18Å; K114-S116 PolarHBondContact O-N 3.33Å; K114-S116 VanDerWaalsContact O-N 3.12Å; K114-C117 HydrophobicContact CB-CB 4.1Å; K114-C117 PolarHBondContact O-N 3.3Å; K114-R118 PolarHBondContact O-N 2.95Å | ||
| 115 | R | 93.5 | Very high | 91.3 | Very high | 218 Ų | 218 | 74.6 Ų | 74.6 | 82% | 0.823 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.9 | -173.2 | -70.7 | -174.7 | -178.4 | 175.9 | 1.1 | 113 | Y113 R118 | Y113-R115 PolarHBondContact O-N 2.98Å; Y113-R115 VanDerWaalsContact O-N 3.07Å; R115-R118 PolarHBondContact O-NE 3.35Å; R115-R118 PolarHBondContact O-NH2 3.43Å |
| 116 | S | 94 | Very high | 91.4 | Very high | 104 Ų | 104 | 71.8 Ų | 71.8 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -17.5 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | K114 | K114-S116 WeakPolarHBondContact CE-OG 3.18Å; K114-S116 PolarHBondContact O-N 3.33Å; K114-S116 VanDerWaalsContact O-N 3.12Å |
| 117 | C | 94.8 | Very high | 91.7 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -60 | -177.6 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | C97 K114 K119 | C97-C117 HydrophobicContact CB-CB 4.3Å; K114-C117 HydrophobicContact CB-CB 4.1Å; K114-C117 PolarHBondContact O-N 3.3Å; C117-K119 PolarHBondContact O-N 3.3Å |
| 118 | R | 92.6 | Very high | 91.7 | Very high | 182 Ų | 182 | 71.3 Ų | 71.3 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | trans | 47.7 | 14.8 | -178.3 | -68.4 | -171 | -110 | -176.3 | -1.7 | 116.9 | C112 K114 R115 | C112-R118 VanDerWaalsContact O-CA 3.29Å; C112-R118 WeakPolarHBondContact O-CA 3.29Å; K114-R118 PolarHBondContact O-N 2.95Å; R115-R118 PolarHBondContact O-NE 3.35Å; R115-R118 PolarHBondContact O-NH2 3.43Å | ||
| 119 | K | 93.6 | Very high | 91.7 | Very high | 105 Ų | 105 | 69 Ų | 69 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | trans | -67.9 | 145.4 | -177.5 | -72.2 | -177.5 | -178.7 | -173.9 | 0 | 111.4 | C96 C112 C117 F121 | C96-K119 HydrophobicContact CB-CD 3.81Å; C96-K119 WeakPolarHBondContact SG-CD 3.49Å; C96-K119 PolarHBondContact SG-NZ 2.99Å; C112-K119 PolarHBondContact N-O 3.14Å; C117-K119 PolarHBondContact O-N 3.3Å; K119-F121 HydrophobicContact CB-CD2 4.5Å; K119-F121 HydrophobicContact CB-CE2 3.76Å; K119-F121 HydrophobicContact CB-CZ 4.33Å; K119-F121 HydrophobicContact CD-CZ 4.43Å | ||
| 120 | K | 93.3 | Very high | 91.1 | Very high | 134 Ų | 134 | 68.2 Ų | 68.2 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142 | 176.9 | -62.4 | 176.6 | -172.6 | 172.2 | 0 | 109 | V109 W110 R111 | V109-K120 HydrophobicContact CG1-CB 3.91Å; V109-K120 HydrophobicContact CG1-CG 4.33Å; W110-K120 CarbonylContact O-C 3.4Å; W110-K120 VanDerWaalsContact O-CA 3.31Å; W110-K120 WeakPolarHBondContact O-CA 3.33Å; R111-K120 HydrophobicContact CG-CG 4.47Å |
| 121 | F | 91.2 | Very high | 90 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.2 | 174.6 | -64.5 | -92.9 | 0 | 0 | 0 | 109.4 | P95 M101 V109 W110 K119 | P95-F121 HydrophobicContact CG-CE1 3.73Å; P95-F121 HydrophobicContact CG-CE2 3.79Å; P95-F121 HydrophobicContact CG-CZ 3.29Å; M101-F121 HydrophobicContact CE-CD2 3.54Å; M101-F121 HydrophobicContact CE-CE2 4.25Å; M101-F121 HydrophobicContact SD-CD2 3.98Å; M101-F121 HydrophobicContact SD-CE2 4.49Å; V109-F121 CarbonylContact C-O 3.56Å; V109-F121 WeakPolarHBondContact CA-O 3.26Å; W110-F121 HydrophobicContact CB-CB 4.5Å; W110-F121 PolarHBondContact N-O 2.85Å; W110-F121 PolarHBondContact O-N 3.3Å; K119-F121 HydrophobicContact CB-CD2 4.5Å; K119-F121 HydrophobicContact CB-CE2 3.76Å; K119-F121 HydrophobicContact CB-CZ 4.33Å; K119-F121 HydrophobicContact CD-CZ 4.43Å |
| 122 | S | 90.9 | Very high | 88.3 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 157 | 174 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | R92 R124 S125 | R92-S122 PolarHBondContact NH1-O 3.29Å; S122-R124 PolarHBondContact O-N 3.31Å; S122-R124 PolarHBondContact OG-N 3.45Å; S122-S125 PolarHBondContact N-OG 3.22Å; S122-S125 WeakPolarHBondContact O-CB 3.01Å; S122-S125 PolarHBondContact O-N 2.96Å; S122-S125 VanDerWaalsContact O-N 3.12Å; S122-S125 PolarHBondContact O-OG 3.05Å; S122-S125 PolarHBondContact OG-N 2.97Å; S122-S125 PolarHBondContact OG-OG 3.35Å |
| 123 | V | 91.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.024 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.4 | 169 | -76.9 | 0 | 0 | 0 | 0 | 113.2 | V79 L88 L103 G107 M108 L138 | V79-V123 HydrophobicContact CG2-CG2 4.39Å; L88-V123 HydrophobicContact CD1-CB 4.5Å; L88-V123 HydrophobicContact CD1-CG2 4.5Å; L103-V123 HydrophobicContact CD1-CG1 3.58Å; G107-V123 WeakPolarHBondContact O-CG1 3.32Å; M108-V123 PolarHBondContact O-N 3.49Å; M108-V123 HydrophobicContact SD-CG2 4.43Å; V123-L138 HydrophobicContact CG2-CD1 4.21Å |
| 124 | R | 91.5 | Very high | 85.2 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.9 | 179.7 | -52.8 | -176.8 | -174.6 | -161.6 | -1.4 | 112.5 | E75 S122 G126 T127 F129 G130 L136 L138 | E75-R124 IonicContact OE1-NH2 2.76Å; S122-R124 PolarHBondContact O-N 3.31Å; S122-R124 PolarHBondContact OG-N 3.45Å; R124-G126 PolarHBondContact O-N 2.99Å; R124-T127 WeakPolarHBondContact O-CB 3.48Å; R124-T127 PolarHBondContact O-N 2.67Å; R124-T127 PolarHBondContact O-OG1 2.65Å; R124-F129 HydrophobicContact CB-CB 4.26Å; R124-F129 HydrophobicContact CG-CB 4.3Å; R124-G130 WeakPolarHBondContact O-CA 3.06Å; R124-G130 PolarHBondContact O-N 2.84Å; R124-L136 PolarHBondContact NH1-O 3.22Å; R124-L136 PolarHBondContact NH2-O 3.4Å; R124-L138 HydrophobicContact CG-CD2 4.27Å |
| 125 | S | 88.8 | Confident | 84.4 | Confident | 32 Ų | 32 | 78.8 Ų | 78.8 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 129.5 | -172.7 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | H89 S122 T127 | H89-S125 PolarHBondContact CE1-O 2.72Å; S122-S125 PolarHBondContact N-OG 3.22Å; S122-S125 WeakPolarHBondContact O-CB 3.01Å; S122-S125 PolarHBondContact O-N 2.96Å; S122-S125 VanDerWaalsContact O-N 3.12Å; S122-S125 PolarHBondContact O-OG 3.05Å; S122-S125 PolarHBondContact OG-N 2.97Å; S122-S125 PolarHBondContact OG-OG 3.35Å; S125-T127 VanDerWaalsContact C-N 3.33Å |
| 126 | G | 85 | Confident | 84.1 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 75% | 0.753 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 13.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R124 | R124-G126 PolarHBondContact O-N 2.99Š|
| 127 | T | 89.2 | Confident | 83.9 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -122.8 | 169.6 | 176.3 | 74.7 | 0 | 0 | 0 | 0 | 110.3 | L88 H89 R124 S125 F129 G130 | L88-T127 HydrophobicContact CD2-CG2 4.04Å; H89-T127 VanDerWaalsContact CE1-CG2 3.47Å; H89-T127 WeakPolarHBondContact CE1-CG2 3.26Å; H89-T127 WeakPolarHBondContact ND1-CG2 3.44Å; R124-T127 WeakPolarHBondContact O-CB 3.48Å; R124-T127 PolarHBondContact O-N 2.67Å; R124-T127 PolarHBondContact O-OG1 2.65Å; S125-T127 VanDerWaalsContact C-N 3.33Å; T127-F129 PolarHBondContact O-N 3.2Å; T127-F129 VanDerWaalsContact O-N 3.11Å; T127-F129 PolarHBondContact OG1-N 3.34Å; T127-G130 PolarHBondContact O-N 2.89Å |
| 128 | W | 87 | Confident | 83.7 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.4 | 174.9 | -174.8 | 90.5 | 0 | 0 | 0 | 113.3 | G130 R133 W172 L176 L179 I220 | W128-G130 VanDerWaalsContact C-N 3.34Å; W128-R133 WeakPolarHBondContact O-CD 3.1Å; W128-R133 PolarHBondContact O-NE 3.28Å; W128-W172 HydrophobicContact CH2-CE3 4.19Å; W128-W172 HydrophobicContact CH2-CH2 4.33Å; W128-W172 AromaticContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CZ3-CE3 4.44Å; W128-W172 AromaticContact CZ3-CH2 3.85Å; W128-W172 HydrophobicContact CZ3-CH2 3.85Å; W128-W172 AromaticContact CZ3-CZ3 3.49Å; W128-W172 HydrophobicContact CZ3-CZ3 3.49Å; W128-W172 VanDerWaalsContact CZ3-CZ3 3.49Å; W128-L176 HydrophobicContact CH2-CD2 4.38Å; W128-L179 HydrophobicContact CH2-CD1 4.29Å; W128-L179 HydrophobicContact CZ2-CD1 3.45Å; W128-L179 VanDerWaalsContact CZ2-CD1 3.45Å; W128-L179 HydrophobicContact CZ2-CG 4.42Å; W128-I220 HydrophobicContact CB-CG2 3.67Å; W128-I220 HydrophobicContact CD2-CG2 3.72Å; W128-I220 HydrophobicContact CE3-CG2 3.87Å; W128-I220 HydrophobicContact CG-CG2 3.64Å; W128-I220 HydrophobicContact CZ3-CD1 4.41Å |
| 129 | F | 88.5 | Confident | 83.8 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.1 | 176.3 | -63.6 | -83.4 | 0 | 0 | 0 | 114.3 | L82 L87 L88 R124 T127 L138 A141 I145 W172 | L82-F129 HydrophobicContact CD1-CE2 4.23Å; L82-F129 HydrophobicContact CD1-CZ 4.17Å; L82-F129 HydrophobicContact CD2-CE2 3.99Å; L82-F129 HydrophobicContact CD2-CZ 3.86Å; L87-F129 HydrophobicContact CB-CE2 4.09Å; L88-F129 HydrophobicContact CD2-CD2 4.18Å; R124-F129 HydrophobicContact CB-CB 4.26Å; R124-F129 HydrophobicContact CG-CB 4.3Å; T127-F129 PolarHBondContact O-N 3.2Å; T127-F129 VanDerWaalsContact O-N 3.11Å; T127-F129 PolarHBondContact OG1-N 3.34Å; F129-L138 HydrophobicContact CB-CD2 4.1Å; F129-L138 HydrophobicContact CD1-CD2 3.82Å; F129-L138 HydrophobicContact CE1-CD2 4.46Å; F129-L138 HydrophobicContact CG-CD2 3.96Å; F129-A141 HydrophobicContact CD1-CB 4.29Å; F129-A141 HydrophobicContact CE1-CB 3.9Å; F129-I145 HydrophobicContact CE1-CD1 4.14Å; F129-I145 HydrophobicContact CZ-CD1 3.99Å; F129-W172 AromaticContact CD1-CH2 3.93Å; F129-W172 HydrophobicContact CD1-CH2 3.93Å; F129-W172 AromaticContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CZ3 4.34Å |
| 130 | G | 79.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 59 Ų | 59 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R124 T127 W128 | R124-G130 WeakPolarHBondContact O-CA 3.06Å; R124-G130 PolarHBondContact O-N 2.84Å; T127-G130 PolarHBondContact O-N 2.89Å; W128-G130 VanDerWaalsContact C-N 3.34Å |
| 131 | V | 70.4 | Confident | 83.6 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -59.8 | 159.2 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | R133 | V131-R133 HydrophobicContact CB-CG 4.27Å; V131-R133 PolarHBondContact O-N 3.23Å |
| 132 | P | 58 | Low | 83.7 | Confident | 127 Ų | 127 | 50.5 Ų | 50.5 | 83% | 0.825 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -61.9 | 31.3 | 177.8 | -21.9 | 32.9 | 0 | 0 | 0 | 116.1 | ||
| 133 | R | 62.5 | Low | 83.7 | Confident | 38 Ų | 38 | 49 Ų | 49 | 14% | 0.143 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -58.3 | 135 | 156.7 | -52.2 | -177.9 | -168.2 | -73.7 | -2.4 | 106.1 | W128 V131 R135 Y175 | W128-R133 WeakPolarHBondContact O-CD 3.1Å; W128-R133 PolarHBondContact O-NE 3.28Å; V131-R133 HydrophobicContact CB-CG 4.27Å; V131-R133 PolarHBondContact O-N 3.23Å; R133-R135 PolarHBondContact O-N 2.92Å; R133-Y175 HydrophobicContact CB-CE2 4.28Å; R133-Y175 HydrophobicContact CG-CD2 4.34Å; R133-Y175 HydrophobicContact CG-CE2 3.83Å; R133-Y175 VanDerWaalsContact NH1-CE1 3.26Å; R133-Y175 VanDerWaalsContact NH1-CE2 3.34Å |
| 134 | E | 60.5 | Low | 83.7 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 28% | 0.28 | 27% | 0.265 | S | S | . | . | trans | -38.7 | 141.5 | 175.2 | -97.4 | 153.4 | 147.7 | 0 | 0 | 111 | L136 A168 R171 | E134-L136 PolarHBondContact O-N 3.47Å; E134-A168 WeakPolarHBondContact OE2-CA 3.35Å; E134-A168 VanDerWaalsContact OE2-CB 3.31Å; E134-A168 WeakPolarHBondContact OE2-CB 3.29Å; E134-R171 IonicContact OE1-NH1 2.65Å; E134-R171 PolarHBondContact OE1-NH1 3.46Å; E134-R171 VanDerWaalsContact OE2-CD 3.3Å; E134-R171 WeakPolarHBondContact OE2-CD 3.42Å; E134-R171 IonicContact OE2-CZ 3.91Å; E134-R171 IonicContact OE2-NH1 2.68Å; E134-R171 PolarHBondContact OE2-NH1 3.42Å | ||
| 135 | R | 75.5 | Confident | 83.7 | Confident | 240 Ų | 240 | 46.7 Ų | 46.7 | 91% | 0.906 | 26% | 0.257 | S | S | * | . | trans | -69.7 | 53.4 | 177.5 | -65.7 | -177 | 179.7 | 175.3 | 1.8 | 111.1 | R133 | R133-R135 PolarHBondContact O-N 2.92Š| ||
| 136 | L | 86.9 | Confident | 83.8 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 25% | 0.248 | C | C | . | . | trans | -65.9 | 136.3 | 172.5 | -171.1 | 74.1 | 0 | 0 | 0 | 108.1 | R124 E134 L138 K140 A141 I144 I164 W172 | R124-L136 PolarHBondContact NH1-O 3.22Å; R124-L136 PolarHBondContact NH2-O 3.4Å; E134-L136 PolarHBondContact O-N 3.47Å; L136-L138 PolarHBondContact O-N 2.74Å; L136-K140 HydrophobicContact CD1-CB 3.93Å; L136-K140 HydrophobicContact CD2-CB 3.78Å; L136-K140 HydrophobicContact CG-CB 3.7Å; L136-A141 HydrophobicContact CD2-CB 4.3Å; L136-I144 HydrophobicContact CD2-CD1 3.53Å; L136-I164 HydrophobicContact CD1-CD1 4.04Å; L136-I164 HydrophobicContact CD1-CG1 4.07Å; L136-I164 HydrophobicContact CD1-CG2 4.01Å; L136-I164 HydrophobicContact CD2-CD1 4.1Å; L136-W172 HydrophobicContact CB-CZ2 4.21Å; L136-W172 HydrophobicContact CD2-CD2 4.24Å; L136-W172 HydrophobicContact CD2-CG 4.47Å; L136-W172 HydrophobicContact CD2-CZ2 4.05Å | ||
| 137 | P | 90.3 | Very high | 83.9 | Confident | 60 Ų | 60 | 42.8 Ų | 42.8 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | trans | -50.3 | 138 | 170.7 | -26.5 | 35.1 | 0 | 0 | 0 | 111.2 | E75 R139 K140 A141 | E75-P137 WeakPolarHBondContact OE1-CA 3.47Å; E75-P137 WeakPolarHBondContact OE2-CB 3.44Å; P137-R139 PolarHBondContact O-N 2.67Å; P137-K140 HydrophobicContact CB-CB 4.36Å; P137-K140 HydrophobicContact CB-CG 4.13Å; P137-K140 HydrophobicContact CG-CG 4.26Å; P137-K140 WeakPolarHBondContact O-CB 3.46Å; P137-K140 PolarHBondContact O-N 3.37Å; P137-A141 PolarHBondContact O-N 3Å | ||
| 138 | L | 92 | Very high | 83.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -35.5 | 178.6 | -71.1 | 172 | 0 | 0 | 0 | 111 | E75 A78 V79 L82 L88 V123 R124 F129 L136 K140 A141 V142 | E75-L138 VanDerWaalsContact CD-N 3.26Å; E75-L138 WeakPolarHBondContact OE1-CB 3.34Å; E75-L138 PolarHBondContact OE1-N 3.21Å; E75-L138 PolarHBondContact OE2-N 2.68Å; A78-L138 HydrophobicContact CB-CB 4.05Å; V79-L138 HydrophobicContact CG2-CD1 3.49Å; V79-L138 VanDerWaalsContact CG2-CD1 3.49Å; L82-L138 HydrophobicContact CD1-CB 4.1Å; L82-L138 HydrophobicContact CD1-CD1 4.35Å; L82-L138 HydrophobicContact CD1-CD2 3.81Å; L82-L138 HydrophobicContact CD1-CG 4.3Å; L88-L138 HydrophobicContact CD1-CD1 3.93Å; V123-L138 HydrophobicContact CG2-CD1 4.21Å; R124-L138 HydrophobicContact CG-CD2 4.27Å; F129-L138 HydrophobicContact CB-CD2 4.1Å; F129-L138 HydrophobicContact CD1-CD2 3.82Å; F129-L138 HydrophobicContact CE1-CD2 4.46Å; F129-L138 HydrophobicContact CG-CD2 3.96Å; L136-L138 PolarHBondContact O-N 2.74Å; L138-K140 PolarHBondContact O-N 3.4Å; L138-A141 WeakPolarHBondContact O-CB 3.2Å; L138-A141 PolarHBondContact O-N 3.02Å; L138-V142 WeakPolarHBondContact O-CG2 3.16Å; L138-V142 PolarHBondContact O-N 2.75Å |
| 139 | R | 93 | Very high | 83.9 | Confident | 78 Ų | 78 | 40.2 Ų | 40.2 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.6 | -51 | 172.2 | 178.9 | 173 | -177.4 | -150.1 | -0.9 | 111.2 | V72 P73 E75 A78 P137 A141 V142 Q143 | V72-R139 HydrophobicContact CG1-CB 4.41Å; V72-R139 HydrophobicContact CG1-CG 4.07Å; V72-R139 PolarHBondContact O-NE 2.85Å; V72-R139 VanDerWaalsContact O-NE 3.13Å; P73-R139 PolarHBondContact O-NE 3.48Å; P73-R139 PolarHBondContact O-NH1 3.07Å; P73-R139 PolarHBondContact O-NH2 2.85Å; P73-R139 VanDerWaalsContact O-NH2 3.08Å; E75-R139 WeakPolarHBondContact OE2-CB 3.25Å; E75-R139 PolarHBondContact OE2-N 2.87Å; A78-R139 HydrophobicContact CB-CB 4.04Å; P137-R139 PolarHBondContact O-N 2.67Å; R139-A141 VanDerWaalsContact C-N 3.31Å; R139-A141 PolarHBondContact O-N 2.8Å; R139-V142 PolarHBondContact O-N 2.87Å; R139-Q143 WeakPolarHBondContact O-CG 3.41Å; R139-Q143 PolarHBondContact O-N 3.23Å |
| 140 | K | 91.4 | Very high | 83.6 | Confident | 60 Ų | 60 | 43 Ų | 43 | 26% | 0.261 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 178.6 | -67.1 | -71.3 | 172.5 | -170.6 | 0 | 111.8 | L136 P137 L138 Q143 I144 L162 I164 | L136-K140 HydrophobicContact CD1-CB 3.93Å; L136-K140 HydrophobicContact CD2-CB 3.78Å; L136-K140 HydrophobicContact CG-CB 3.7Å; P137-K140 HydrophobicContact CB-CB 4.36Å; P137-K140 HydrophobicContact CB-CG 4.13Å; P137-K140 HydrophobicContact CG-CG 4.26Å; P137-K140 WeakPolarHBondContact O-CB 3.46Å; P137-K140 PolarHBondContact O-N 3.37Å; L138-K140 PolarHBondContact O-N 3.4Å; K140-Q143 PolarHBondContact O-N 3.43Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.1Å; K140-L162 HydrophobicContact CD-CB 4.36Å; K140-L162 WeakPolarHBondContact CD-O 3.23Å; K140-L162 WeakPolarHBondContact CE-O 3.3Å; K140-L162 PolarHBondContact NZ-O 3.28Å; K140-I164 HydrophobicContact CB-CD1 4.09Å; K140-I164 HydrophobicContact CD-CD1 4.29Å; K140-I164 HydrophobicContact CD-CG1 4.28Å |
| 141 | A | 92.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F129 L136 P137 L138 R139 Q143 I144 I145 W172 | F129-A141 HydrophobicContact CD1-CB 4.29Å; F129-A141 HydrophobicContact CE1-CB 3.9Å; L136-A141 HydrophobicContact CD2-CB 4.3Å; P137-A141 PolarHBondContact O-N 3Å; L138-A141 WeakPolarHBondContact O-CB 3.2Å; L138-A141 PolarHBondContact O-N 3.02Å; R139-A141 VanDerWaalsContact C-N 3.31Å; R139-A141 PolarHBondContact O-N 2.8Å; A141-Q143 VanDerWaalsContact C-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.86Å; A141-I144 PolarHBondContact O-N 2.98Å; A141-I145 WeakPolarHBondContact O-CD1 3.21Å; A141-I145 VanDerWaalsContact O-CG1 3.25Å; A141-I145 WeakPolarHBondContact O-CG1 3.42Å; A141-I145 PolarHBondContact O-N 3.38Å; A141-W172 HydrophobicContact CB-CH2 3.29Å; A141-W172 HydrophobicContact CB-CZ2 3.78Å; A141-W172 HydrophobicContact CB-CZ3 3.74Å |
| 142 | V | 93 | Very high | 83.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 175.5 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | L68 V72 F81 L82 L138 R139 I145 Y146 F213 | L68-V142 HydrophobicContact CD1-CG1 4.13Å; V72-V142 HydrophobicContact CG2-CG1 4.22Å; F81-V142 HydrophobicContact CD1-CG1 4.3Å; F81-V142 HydrophobicContact CD1-CG2 4.35Å; F81-V142 HydrophobicContact CE1-CG1 4.16Å; L82-V142 HydrophobicContact CD1-CG2 4.05Å; L82-V142 HydrophobicContact CD2-CG2 3.84Å; L82-V142 HydrophobicContact CG-CG2 3.95Å; L138-V142 WeakPolarHBondContact O-CG2 3.16Å; L138-V142 PolarHBondContact O-N 2.75Å; R139-V142 PolarHBondContact O-N 2.87Å; V142-I145 PolarHBondContact O-N 3.46Å; V142-Y146 PolarHBondContact O-N 3.43Å; V142-F213 HydrophobicContact CG1-CZ 4.12Å |
| 143 | Q | 91.2 | Very high | 84.5 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 176.6 | -68.6 | -179.9 | -41 | 0 | 0 | 112.6 | L68 R139 K140 A141 Y146 H147 L162 | L68-Q143 HydrophobicContact CD1-CG 4.38Å; L68-Q143 HydrophobicContact CD2-CB 4.1Å; L68-Q143 HydrophobicContact CD2-CG 3.69Å; L68-Q143 HydrophobicContact CG-CG 4.04Å; R139-Q143 WeakPolarHBondContact O-CG 3.41Å; R139-Q143 PolarHBondContact O-N 3.23Å; K140-Q143 PolarHBondContact O-N 3.43Å; A141-Q143 VanDerWaalsContact C-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.86Å; Q143-Y146 PolarHBondContact O-N 3.3Å; Q143-H147 PolarHBondContact O-CD2 3.34Å; Q143-H147 PolarHBondContact O-N 2.94Å; Q143-L162 HydrophobicContact CB-CD1 4.11Å; Q143-L162 HydrophobicContact CB-CD2 3.94Å |
| 144 | I | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 176 | -65.9 | 162.7 | 0 | 0 | 0 | 110.8 | L136 K140 A141 Y146 H147 W148 L162 I164 W172 L176 | L136-I144 HydrophobicContact CD2-CD1 3.53Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.1Å; A141-I144 PolarHBondContact O-N 2.98Å; I144-Y146 PolarHBondContact O-N 3.28Å; I144-H147 PolarHBondContact O-N 3.24Å; I144-W148 WeakPolarHBondContact O-CB 3.3Å; I144-W148 PolarHBondContact O-N 2.91Å; I144-L162 HydrophobicContact CG1-CD1 3.72Å; I144-I164 HydrophobicContact CD1-CD1 3.39Å; I144-I164 HydrophobicContact CG1-CD1 3.7Å; I144-W172 HydrophobicContact CD1-CB 3.88Å; I144-W172 HydrophobicContact CD1-CD2 4.06Å; I144-W172 HydrophobicContact CD1-CE3 4.48Å; I144-W172 HydrophobicContact CD1-CG 3.76Å; I144-W172 HydrophobicContact CG2-CB 4.17Å; I144-L176 HydrophobicContact CG2-CD1 3.92Å |
| 145 | I | 91.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.3 | -42.8 | -178.5 | -64.3 | 162.4 | 0 | 0 | 0 | 110.2 | F129 A141 V142 S149 W172 L176 F213 I216 L217 I220 | F129-I145 HydrophobicContact CE1-CD1 4.14Å; F129-I145 HydrophobicContact CZ-CD1 3.99Å; A141-I145 WeakPolarHBondContact O-CD1 3.21Å; A141-I145 VanDerWaalsContact O-CG1 3.25Å; A141-I145 WeakPolarHBondContact O-CG1 3.42Å; A141-I145 PolarHBondContact O-N 3.38Å; V142-I145 PolarHBondContact O-N 3.46Å; I145-S149 WeakPolarHBondContact O-CB 3.36Å; I145-S149 PolarHBondContact O-N 3.03Å; I145-W172 HydrophobicContact CD1-CZ3 4.48Å; I145-L176 HydrophobicContact CG1-CD1 4.41Å; I145-L176 HydrophobicContact CG1-CD2 4Å; I145-F213 HydrophobicContact CB-CE2 4.13Å; I145-F213 HydrophobicContact CG2-CD2 3.95Å; I145-F213 HydrophobicContact CG2-CE2 3.72Å; I145-I216 HydrophobicContact CG2-CG2 3.59Å; I145-L217 HydrophobicContact CG2-CD2 3.9Å; I145-I220 HydrophobicContact CD1-CD1 3.99Å; I145-I220 HydrophobicContact CG1-CD1 4.48Å; I145-I220 HydrophobicContact CG2-CD1 4.47Å |
| 146 | Y | 90.8 | Very high | 87.2 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.5 | -57.3 | 177.2 | 179 | -104.4 | 0 | 0 | 0 | 112.8 | G64 W67 L68 V142 Q143 I144 W148 S149 Q150 F213 | G64-Y146 WeakPolarHBondContact CA-OH 3.47Å; G64-Y146 WeakPolarHBondContact O-CE1 3.45Å; G64-Y146 PolarHBondContact O-OH 2.86Å; W67-Y146 HydrophobicContact CE3-CD1 4.37Å; W67-Y146 HydrophobicContact CE3-CD2 4.23Å; W67-Y146 AromaticContact CE3-CE1 3.91Å; W67-Y146 HydrophobicContact CE3-CE1 3.91Å; W67-Y146 AromaticContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CE2 3.73Å; W67-Y146 HydrophobicContact CE3-CG 4.47Å; W67-Y146 AromaticContact CE3-CZ 3.5Å; W67-Y146 AromaticContact CH2-CD1 3.82Å; W67-Y146 HydrophobicContact CH2-CD1 3.82Å; W67-Y146 AromaticContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CD2 2.92Å; W67-Y146 HydrophobicContact CH2-CE1 4.09Å; W67-Y146 AromaticContact CH2-CE2 3.26Å; W67-Y146 HydrophobicContact CH2-CE2 3.26Å; W67-Y146 AromaticContact CH2-CG 3.19Å; W67-Y146 HydrophobicContact CH2-CG 3.19Å; W67-Y146 AromaticContact CH2-CZ 3.8Å; W67-Y146 AromaticContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CD2 3.92Å; W67-Y146 HydrophobicContact CZ2-CE2 4.09Å; W67-Y146 HydrophobicContact CZ2-CG 4.46Å; W67-Y146 AromaticContact CZ3-CD1 3.3Å; W67-Y146 HydrophobicContact CZ3-CD1 3.3Å; W67-Y146 AromaticContact CZ3-CD2 3.15Å; W67-Y146 HydrophobicContact CZ3-CD2 3.15Å; W67-Y146 AromaticContact CZ3-CE1 3.23Å; W67-Y146 HydrophobicContact CZ3-CE1 3.23Å; W67-Y146 AromaticContact CZ3-CE2 3.07Å; W67-Y146 HydrophobicContact CZ3-CE2 3.07Å; W67-Y146 AromaticContact CZ3-CG 3.21Å; W67-Y146 HydrophobicContact CZ3-CG 3.21Å; W67-Y146 AromaticContact CZ3-CZ 3.06Å; L68-Y146 HydrophobicContact CD2-CD1 3.91Å; L68-Y146 HydrophobicContact CD2-CG 4.29Å; V142-Y146 PolarHBondContact O-N 3.43Å; Q143-Y146 PolarHBondContact O-N 3.3Å; I144-Y146 PolarHBondContact O-N 3.28Å; Y146-W148 PolarHBondContact O-N 3.29Å; Y146-S149 WeakPolarHBondContact O-CB 3.44Å; Y146-S149 PolarHBondContact O-N 3.22Å; Y146-S149 PolarHBondContact O-OG 3.43Å; Y146-Q150 HydrophobicContact CD1-CG 4.29Å; Y146-Q150 HydrophobicContact CD2-CG 4.29Å; Y146-Q150 HydrophobicContact CE1-CG 3.78Å; Y146-Q150 HydrophobicContact CE2-CG 3.81Å; Y146-Q150 WeakPolarHBondContact O-CG 3.3Å; Y146-Q150 PolarHBondContact O-N 3.02Å; Y146-Q150 VanDerWaalsContact O-N 3.1Å; Y146-F213 VanDerWaalsContact CA-CD2 3.5Å; Y146-F213 HydrophobicContact CD2-CB 4.09Å; Y146-F213 HydrophobicContact CD2-CD1 4.27Å; Y146-F213 AromaticContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CE2 4.29Å; Y146-F213 AromaticContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CG-CD2 4.44Å |
| 147 | H | 87.7 | Confident | 87.2 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -29.7 | -177.4 | -69.3 | -63.3 | 0 | 0 | 0 | 111.9 | Q143 I144 Q150 G151 H152 A153 F157 | Q143-H147 PolarHBondContact O-CD2 3.34Å; Q143-H147 PolarHBondContact O-N 2.94Å; I144-H147 PolarHBondContact O-N 3.24Å; H147-Q150 PolarHBondContact O-N 2.92Å; H147-G151 PolarHBondContact O-N 3.39Å; H147-H152 HydrophobicContact CB-CB 4.43Å; H147-H152 PolarHBondContact O-N 2.95Å; H147-A153 HydrophobicContact CB-CB 4.02Å; H147-A153 PolarHBondContact O-N 3.49Å; H147-A153 VanDerWaalsContact O-N 3.1Å; H147-F157 HydrophobicContact CB-CD1 4.35Å; H147-F157 HydrophobicContact CB-CE1 3.78Å; H147-F157 HydrophobicContact CB-CZ 4.39Å; H147-F157 AromaticContact CD2-CE1 3.42Å; H147-F157 VanDerWaalsContact CD2-CE1 3.42Å; H147-F157 WeakPolarHBondContact CD2-CE1 3.36Å; H147-F157 AromaticContact CD2-CZ 3.76Å; H147-F157 AromaticContact CE1-CZ 3.61Å; H147-F157 AromaticContact CG-CE1 3.4Å; H147-F157 AromaticContact CG-CZ 3.67Å; H147-F157 AromaticContact ND1-CE1 3.82Å; H147-F157 AromaticContact ND1-CZ 3.57Å; H147-F157 AromaticContact NE2-CE1 3.87Å; H147-F157 AromaticContact NE2-CZ 3.73Å |
| 148 | W | 88.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | 173.3 | -173.2 | 84.8 | 0 | 0 | 0 | 111.4 | I144 Y146 Q150 G151 A153 L176 R177 A180 E200 W203 R204 I216 | I144-W148 WeakPolarHBondContact O-CB 3.3Å; I144-W148 PolarHBondContact O-N 2.91Å; Y146-W148 PolarHBondContact O-N 3.29Å; W148-Q150 VanDerWaalsContact C-N 3.25Å; W148-Q150 PolarHBondContact O-N 3.36Å; W148-G151 PolarHBondContact O-N 3.32Å; W148-G151 VanDerWaalsContact O-N 3.16Å; W148-A153 VanDerWaalsContact CA-CB 3.45Å; W148-A153 HydrophobicContact CB-CB 3.72Å; W148-A153 HydrophobicContact CG-CB 4.45Å; W148-A153 VanDerWaalsContact N-CB 3.31Å; W148-L176 HydrophobicContact CB-CD1 3.6Å; W148-L176 HydrophobicContact CD2-CB 3.65Å; W148-L176 HydrophobicContact CD2-CD1 3.91Å; W148-L176 HydrophobicContact CD2-CG 4.36Å; W148-L176 HydrophobicContact CE3-CB 4.02Å; W148-L176 HydrophobicContact CE3-CD1 4.35Å; W148-L176 HydrophobicContact CG-CB 4.04Å; W148-L176 HydrophobicContact CG-CD1 3.54Å; W148-L176 HydrophobicContact CG-CG 4.42Å; W148-L176 HydrophobicContact CZ2-CB 4.17Å; W148-L176 HydrophobicContact CZ3-CB 4.44Å; W148-R177 HydrophobicContact CZ2-CG 4.22Å; W148-A180 HydrophobicContact CH2-CB 3.71Å; W148-A180 HydrophobicContact CZ2-CB 4.41Å; W148-E200 HydrophobicContact CH2-CG 4.45Å; W148-E200 HydrophobicContact CZ2-CB 4.16Å; W148-E200 HydrophobicContact CZ2-CG 3.98Å; W148-W203 HydrophobicContact CH2-CG 4.46Å; W148-R204 PolarHBondContact O-NH2 2.76Å; W148-I216 HydrophobicContact CE3-CG1 4.35Å; W148-I216 HydrophobicContact CZ3-CD1 3.95Å; W148-I216 HydrophobicContact CZ3-CG1 4.02Å |
| 149 | S | 87.3 | Confident | 87 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -35.8 | 176.2 | 75.2 | 0 | 0 | 0 | 0 | 113 | I145 Y146 R204 F213 | I145-S149 WeakPolarHBondContact O-CB 3.36Å; I145-S149 PolarHBondContact O-N 3.03Å; Y146-S149 WeakPolarHBondContact O-CB 3.44Å; Y146-S149 PolarHBondContact O-N 3.22Å; Y146-S149 PolarHBondContact O-OG 3.43Å; S149-R204 PolarHBondContact O-NE 2.96Å; S149-R204 PolarHBondContact O-NH2 3.46Å; S149-F213 WeakPolarHBondContact OG-CB 3.49Å |
| 150 | Q | 81.6 | Confident | 86.9 | Confident | 68 Ų | 68 | 38 Ų | 38 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -82.4 | -16.6 | 178.9 | -58.5 | -56.1 | -39.9 | 0 | 0 | 113.9 | Y146 H147 W148 | Y146-Q150 HydrophobicContact CD1-CG 4.29Å; Y146-Q150 HydrophobicContact CD2-CG 4.29Å; Y146-Q150 HydrophobicContact CE1-CG 3.78Å; Y146-Q150 HydrophobicContact CE2-CG 3.81Å; Y146-Q150 WeakPolarHBondContact O-CG 3.3Å; Y146-Q150 PolarHBondContact O-N 3.02Å; Y146-Q150 VanDerWaalsContact O-N 3.1Å; H147-Q150 PolarHBondContact O-N 2.92Å; W148-Q150 VanDerWaalsContact C-N 3.25Å; W148-Q150 PolarHBondContact O-N 3.36Å |
| 151 | G | 81.4 | Confident | 86.6 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 15.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H147 W148 E200 R204 | H147-G151 PolarHBondContact O-N 3.39Å; W148-G151 PolarHBondContact O-N 3.32Å; W148-G151 VanDerWaalsContact O-N 3.16Å; G151-E200 WeakPolarHBondContact CA-OE1 3.4Å; G151-R204 VanDerWaalsContact CA-NH1 3.35Å |
| 152 | H | 75.1 | Confident | 86.4 | Confident | 112 Ų | 112 | 41.5 Ų | 41.5 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | trans | -100.1 | -15.9 | -179.7 | -59.3 | -55.8 | 0 | 0 | 0 | 113.1 | H147 T154 F157 | H147-H152 HydrophobicContact CB-CB 4.43Å; H147-H152 PolarHBondContact O-N 2.95Å; H152-T154 PolarHBondContact O-N 3.41Å; H152-F157 WeakPolarHBondContact O-CB 3.37Å; H152-F157 WeakPolarHBondContact O-CG 3.42Å | ||
| 153 | A | 72 | Confident | 86.2 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | trans | -74.8 | 65.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | H147 W148 | H147-A153 HydrophobicContact CB-CB 4.02Å; H147-A153 PolarHBondContact O-N 3.49Å; H147-A153 VanDerWaalsContact O-N 3.1Å; W148-A153 VanDerWaalsContact CA-CB 3.45Å; W148-A153 HydrophobicContact CB-CB 3.72Å; W148-A153 HydrophobicContact CG-CB 4.45Å; W148-A153 VanDerWaalsContact N-CB 3.31Å | ||
| 154 | T | 80.9 | Confident | 86.2 | Confident | 81 Ų | 81 | 44.5 Ų | 44.5 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | trans | -68.3 | 155 | 159.9 | 66 | 0 | 0 | 0 | 0 | 109.3 | H152 K156 F157 C158 | H152-T154 PolarHBondContact O-N 3.41Å; T154-K156 PolarHBondContact O-N 2.88Å; T154-F157 WeakPolarHBondContact O-CB 3.39Å; T154-F157 PolarHBondContact O-N 3.05Å; T154-F157 VanDerWaalsContact O-N 3.14Å; T154-F157 VanDerWaalsContact OG1-CB 3.25Å; T154-F157 WeakPolarHBondContact OG1-CB 3.4Å; T154-F157 PolarHBondContact OG1-N 2.81Å; T154-C158 PolarHBondContact O-N 3.03Å; T154-C158 PolarHBondContact O-SG 2.87Å | ||
| 155 | I | 86.1 | Confident | 86.2 | Confident | 46 Ų | 46 | 48 Ų | 48 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 175.1 | -56.9 | -53.5 | 0 | 0 | 0 | 110.4 | C158 V159 K166 A169 I170 C173 | I155-C158 PolarHBondContact O-N 3.36Å; I155-V159 HydrophobicContact CG2-CG2 4.44Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.25Å; I155-V159 PolarHBondContact O-N 2.7Å; I155-K166 HydrophobicContact CG2-CG 3.99Å; I155-A169 HydrophobicContact CD1-CB 4.25Å; I155-A169 HydrophobicContact CG2-CB 4.19Å; I155-I170 HydrophobicContact CD1-CB 4.37Å; I155-I170 HydrophobicContact CD1-CG1 3.82Å; I155-I170 HydrophobicContact CG1-CG1 4.06Å; I155-I170 HydrophobicContact CG2-CG1 4.06Å; I155-C173 HydrophobicContact CD1-CB 4.1Å |
| 156 | K | 87.3 | Confident | 86.1 | Confident | 136 Ų | 136 | 54.8 Ų | 54.8 | 59% | 0.591 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -57.8 | -49.2 | 175.4 | -173.4 | 179.1 | 179.7 | -177.4 | 0 | 111.4 | T154 C158 V159 E160 | T154-K156 PolarHBondContact O-N 2.88Å; K156-C158 PolarHBondContact O-N 3.16Å; K156-V159 PolarHBondContact O-N 2.88Å; K156-E160 VanDerWaalsContact CE-CD 3.4Å; K156-E160 WeakPolarHBondContact CE-OE1 3.48Å; K156-E160 VanDerWaalsContact CE-OE2 3.27Å; K156-E160 WeakPolarHBondContact CE-OE2 3.21Å; K156-E160 HydrophobicContact CG-CG 4.32Å; K156-E160 WeakPolarHBondContact CG-OE1 3.3Å; K156-E160 IonicContact NZ-OE1 3.58Å; K156-E160 WeakPolarHBondContact O-CB 3.47Å; K156-E160 WeakPolarHBondContact O-CG 3.38Å; K156-E160 PolarHBondContact O-N 3.2Å |
| 157 | F | 87.5 | Confident | 86.1 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 18% | 0.18 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -47.3 | 176.3 | 179.2 | -85.3 | 0 | 0 | 0 | 112.1 | H147 H152 T154 V159 E160 Q161 L162 | H147-F157 HydrophobicContact CB-CD1 4.35Å; H147-F157 HydrophobicContact CB-CE1 3.78Å; H147-F157 HydrophobicContact CB-CZ 4.39Å; H147-F157 AromaticContact CD2-CE1 3.42Å; H147-F157 VanDerWaalsContact CD2-CE1 3.42Å; H147-F157 WeakPolarHBondContact CD2-CE1 3.36Å; H147-F157 AromaticContact CD2-CZ 3.76Å; H147-F157 AromaticContact CE1-CZ 3.61Å; H147-F157 AromaticContact CG-CE1 3.4Å; H147-F157 AromaticContact CG-CZ 3.67Å; H147-F157 AromaticContact ND1-CE1 3.82Å; H147-F157 AromaticContact ND1-CZ 3.57Å; H147-F157 AromaticContact NE2-CE1 3.87Å; H147-F157 AromaticContact NE2-CZ 3.73Å; H152-F157 WeakPolarHBondContact O-CB 3.37Å; H152-F157 WeakPolarHBondContact O-CG 3.42Å; T154-F157 WeakPolarHBondContact O-CB 3.39Å; T154-F157 PolarHBondContact O-N 3.05Å; T154-F157 VanDerWaalsContact O-N 3.14Å; T154-F157 VanDerWaalsContact OG1-CB 3.25Å; T154-F157 WeakPolarHBondContact OG1-CB 3.4Å; T154-F157 PolarHBondContact OG1-N 2.81Å; F157-V159 VanDerWaalsContact C-N 3.29Å; F157-V159 PolarHBondContact O-N 2.86Å; F157-E160 PolarHBondContact O-N 3.49Å; F157-Q161 HydrophobicContact CD1-CB 4.42Å; F157-Q161 HydrophobicContact CD2-CB 4.11Å; F157-Q161 HydrophobicContact CD2-CG 3.61Å; F157-Q161 HydrophobicContact CE1-CB 4.18Å; F157-Q161 HydrophobicContact CE2-CB 3.89Å; F157-Q161 HydrophobicContact CE2-CG 3.65Å; F157-Q161 HydrophobicContact CG-CB 4.36Å; F157-Q161 HydrophobicContact CG-CG 4.15Å; F157-Q161 HydrophobicContact CZ-CB 3.91Å; F157-Q161 HydrophobicContact CZ-CG 4.21Å; F157-Q161 WeakPolarHBondContact O-CA 3.47Å; F157-Q161 VanDerWaalsContact O-CB 3.24Å; F157-Q161 WeakPolarHBondContact O-CB 3.39Å; F157-Q161 PolarHBondContact O-N 3.45Å; F157-L162 HydrophobicContact CE1-CD1 4.29Å; F157-L162 HydrophobicContact CE1-CD2 4.3Å; F157-L162 HydrophobicContact CE1-CG 4.1Å |
| 158 | C | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 179.2 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | T154 I155 K156 L162 G163 I164 A169 | T154-C158 PolarHBondContact O-N 3.03Å; T154-C158 PolarHBondContact O-SG 2.87Å; I155-C158 PolarHBondContact O-N 3.36Å; K156-C158 PolarHBondContact O-N 3.16Å; C158-L162 CarbonylContact O-C 3.54Å; C158-L162 VanDerWaalsContact O-CB 3.32Å; C158-L162 WeakPolarHBondContact O-CB 3.41Å; C158-L162 PolarHBondContact O-N 2.91Å; C158-G163 PolarHBondContact O-N 2.98Å; C158-I164 PolarHBondContact O-N 3.49Å; C158-A169 HydrophobicContact CB-CB 3.52Å |
| 159 | V | 90.3 | Very high | 86.3 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 35% | 0.345 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.3 | -52.1 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | I155 K156 F157 G163 I164 K166 | I155-V159 HydrophobicContact CG2-CG2 4.44Å; I155-V159 VanDerWaalsContact O-CG2 3.3Å; I155-V159 WeakPolarHBondContact O-CG2 3.25Å; I155-V159 PolarHBondContact O-N 2.7Å; K156-V159 PolarHBondContact O-N 2.88Å; F157-V159 VanDerWaalsContact C-N 3.29Å; F157-V159 PolarHBondContact O-N 2.86Å; V159-G163 VanDerWaalsContact O-CA 3.3Å; V159-G163 WeakPolarHBondContact O-CA 3.49Å; V159-G163 PolarHBondContact O-N 3.47Å; V159-G163 VanDerWaalsContact O-N 3.17Å; V159-I164 WeakPolarHBondContact CA-O 3.43Å; V159-I164 WeakPolarHBondContact CG2-O 3.32Å; V159-K166 HydrophobicContact CG2-CB 4.1Å |
| 160 | E | 90 | Very high | 86.3 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.9 | -45.3 | -172.3 | -67.3 | 174.9 | 176.7 | 0 | 0 | 112.7 | K156 F157 | K156-E160 VanDerWaalsContact CE-CD 3.4Å; K156-E160 WeakPolarHBondContact CE-OE1 3.48Å; K156-E160 VanDerWaalsContact CE-OE2 3.27Å; K156-E160 WeakPolarHBondContact CE-OE2 3.21Å; K156-E160 HydrophobicContact CG-CG 4.32Å; K156-E160 WeakPolarHBondContact CG-OE1 3.3Å; K156-E160 IonicContact NZ-OE1 3.58Å; K156-E160 WeakPolarHBondContact O-CB 3.47Å; K156-E160 WeakPolarHBondContact O-CG 3.38Å; K156-E160 PolarHBondContact O-N 3.2Å; F157-E160 PolarHBondContact O-N 3.49Å |
| 161 | Q | 86.8 | Confident | 86.7 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 58% | 0.584 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -32.3 | -171.3 | -54.2 | -57.1 | -48 | 0 | 0 | 112.3 | F157 | F157-Q161 HydrophobicContact CD1-CB 4.42Å; F157-Q161 HydrophobicContact CD2-CB 4.11Å; F157-Q161 HydrophobicContact CD2-CG 3.61Å; F157-Q161 HydrophobicContact CE1-CB 4.18Å; F157-Q161 HydrophobicContact CE2-CB 3.89Å; F157-Q161 HydrophobicContact CE2-CG 3.65Å; F157-Q161 HydrophobicContact CG-CB 4.36Å; F157-Q161 HydrophobicContact CG-CG 4.15Å; F157-Q161 HydrophobicContact CZ-CB 3.91Å; F157-Q161 HydrophobicContact CZ-CG 4.21Å; F157-Q161 WeakPolarHBondContact O-CA 3.47Å; F157-Q161 VanDerWaalsContact O-CB 3.24Å; F157-Q161 WeakPolarHBondContact O-CB 3.39Å; F157-Q161 PolarHBondContact O-N 3.45Å |
| 162 | L | 87.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -9 | 179.8 | -50.9 | -179.3 | 0 | 0 | 0 | 113 | K140 Q143 I144 F157 C158 I164 | K140-L162 HydrophobicContact CD-CB 4.36Å; K140-L162 WeakPolarHBondContact CD-O 3.23Å; K140-L162 WeakPolarHBondContact CE-O 3.3Å; K140-L162 PolarHBondContact NZ-O 3.28Å; Q143-L162 HydrophobicContact CB-CD1 4.11Å; Q143-L162 HydrophobicContact CB-CD2 3.94Å; I144-L162 HydrophobicContact CG1-CD1 3.72Å; F157-L162 HydrophobicContact CE1-CD1 4.29Å; F157-L162 HydrophobicContact CE1-CD2 4.3Å; F157-L162 HydrophobicContact CE1-CG 4.1Å; C158-L162 CarbonylContact O-C 3.54Å; C158-L162 VanDerWaalsContact O-CB 3.32Å; C158-L162 WeakPolarHBondContact O-CB 3.41Å; C158-L162 PolarHBondContact O-N 2.91Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 HydrophobicContact CB-CD1 3.69Å; L162-I164 HydrophobicContact CB-CG1 3.8Å; L162-I164 HydrophobicContact CD1-CD1 4.07Å; L162-I164 PolarHBondContact O-N 3.06Å |
| 163 | G | 89.2 | Confident | 87.7 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 72% | 0.722 | 30% | 0.295 | S | S | * | . | trans | 64.9 | 32.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | C158 V159 | C158-G163 PolarHBondContact O-N 2.98Å; V159-G163 VanDerWaalsContact O-CA 3.3Å; V159-G163 WeakPolarHBondContact O-CA 3.49Å; V159-G163 PolarHBondContact O-N 3.47Å; V159-G163 VanDerWaalsContact O-N 3.17Å | ||
| 164 | I | 89.7 | Confident | 88.5 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | trans | -99.3 | 138 | -176.9 | -58.6 | 178.1 | 0 | 0 | 0 | 108.6 | L136 K140 I144 C158 V159 L162 A168 A169 | L136-I164 HydrophobicContact CD1-CD1 4.04Å; L136-I164 HydrophobicContact CD1-CG1 4.07Å; L136-I164 HydrophobicContact CD1-CG2 4.01Å; L136-I164 HydrophobicContact CD2-CD1 4.1Å; K140-I164 HydrophobicContact CB-CD1 4.09Å; K140-I164 HydrophobicContact CD-CD1 4.29Å; K140-I164 HydrophobicContact CD-CG1 4.28Å; I144-I164 HydrophobicContact CD1-CD1 3.39Å; I144-I164 HydrophobicContact CG1-CD1 3.7Å; C158-I164 PolarHBondContact O-N 3.49Å; V159-I164 WeakPolarHBondContact CA-O 3.43Å; V159-I164 WeakPolarHBondContact CG2-O 3.32Å; L162-I164 VanDerWaalsContact C-N 3.28Å; L162-I164 HydrophobicContact CB-CD1 3.69Å; L162-I164 HydrophobicContact CB-CG1 3.8Å; L162-I164 HydrophobicContact CD1-CD1 4.07Å; L162-I164 PolarHBondContact O-N 3.06Å; I164-A168 HydrophobicContact CG2-CB 3.59Å; I164-A169 HydrophobicContact CG2-CB 4.46Å | ||
| 165 | C | 90.7 | Very high | 88.8 | Confident | 73 Ų | 73 | 63.3 Ų | 63.3 | 49% | 0.493 | 31% | 0.31 | S | S | . | . | trans | -61.3 | 145.9 | 177 | 73.3 | 0 | 0 | 0 | 0 | 110.7 | Q167 A168 A169 | C165-Q167 PolarHBondContact O-N 3.19Å; C165-Q167 VanDerWaalsContact O-N 3.12Å; C165-A168 PolarHBondContact O-N 3.11Å; C165-A168 WeakPolarHBondContact SG-CB 3.32Å; C165-A169 PolarHBondContact O-N 2.85Å | ||
| 166 | K | 90.9 | Very high | 89 | Confident | 143 Ų | 143 | 61.1 Ų | 61.1 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -51 | -42.1 | -176 | -177.4 | 179.5 | 178.6 | -179.6 | 0 | 112.5 | I155 V159 A169 I170 | I155-K166 HydrophobicContact CG2-CG 3.99Å; V159-K166 HydrophobicContact CG2-CB 4.1Å; K166-A169 PolarHBondContact O-N 3.49Å; K166-I170 HydrophobicContact CG-CD1 3.98Å; K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 3.44Å |
| 167 | Q | 90.6 | Very high | 89 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | -178.6 | -167.3 | 62.2 | 18.3 | 0 | 0 | 112.4 | C165 I170 R171 | C165-Q167 PolarHBondContact O-N 3.19Å; C165-Q167 VanDerWaalsContact O-N 3.12Å; Q167-I170 PolarHBondContact O-N 2.98Å; Q167-R171 WeakPolarHBondContact O-CG 3.48Å; Q167-R171 PolarHBondContact O-N 3.26Å |
| 168 | A | 89.7 | Confident | 89 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E134 I164 C165 I170 R171 W172 | E134-A168 WeakPolarHBondContact OE2-CA 3.35Å; E134-A168 VanDerWaalsContact OE2-CB 3.31Å; E134-A168 WeakPolarHBondContact OE2-CB 3.29Å; I164-A168 HydrophobicContact CG2-CB 3.59Å; C165-A168 PolarHBondContact O-N 3.11Å; C165-A168 WeakPolarHBondContact SG-CB 3.32Å; A168-I170 VanDerWaalsContact C-N 3.33Å; A168-I170 PolarHBondContact O-N 3.34Å; A168-R171 PolarHBondContact O-N 3.07Å; A168-W172 WeakPolarHBondContact O-CB 3.4Å; A168-W172 VanDerWaalsContact O-CD1 3.24Å; A168-W172 PolarHBondContact O-N 3.33Å |
| 169 | A | 89.6 | Confident | 89 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | I155 C158 I164 C165 K166 R171 W172 C173 | I155-A169 HydrophobicContact CD1-CB 4.25Å; I155-A169 HydrophobicContact CG2-CB 4.19Å; C158-A169 HydrophobicContact CB-CB 3.52Å; I164-A169 HydrophobicContact CG2-CB 4.46Å; C165-A169 PolarHBondContact O-N 2.85Å; K166-A169 PolarHBondContact O-N 3.49Å; A169-R171 PolarHBondContact O-N 2.92Å; A169-W172 PolarHBondContact O-N 3.13Å; A169-C173 WeakPolarHBondContact O-CB 3.43Å; A169-C173 PolarHBondContact O-N 3.19Å; A169-C173 PolarHBondContact O-SG 3.47Å; A169-C173 VanDerWaalsContact O-SG 3.34Å |
| 170 | I | 89.2 | Confident | 88.8 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.9 | -70.3 | 166.5 | 0 | 0 | 0 | 111 | I155 K166 Q167 A168 R174 | I155-I170 HydrophobicContact CD1-CB 4.37Å; I155-I170 HydrophobicContact CD1-CG1 3.82Å; I155-I170 HydrophobicContact CG1-CG1 4.06Å; I155-I170 HydrophobicContact CG2-CG1 4.06Å; K166-I170 HydrophobicContact CG-CD1 3.98Å; K166-I170 VanDerWaalsContact O-CG1 3.3Å; K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 3.44Å; Q167-I170 PolarHBondContact O-N 2.98Å; A168-I170 VanDerWaalsContact C-N 3.33Å; A168-I170 PolarHBondContact O-N 3.34Å; I170-R174 VanDerWaalsContact O-CB 3.31Å; I170-R174 WeakPolarHBondContact O-CB 3.48Å; I170-R174 PolarHBondContact O-N 2.89Å |
| 171 | R | 89.5 | Confident | 88.5 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 37% | 0.366 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | -179.7 | -73.3 | 173.2 | -179.6 | 149.2 | -1.5 | 111.4 | E134 Q167 A168 A169 R174 Y175 | E134-R171 IonicContact OE1-NH1 2.65Å; E134-R171 PolarHBondContact OE1-NH1 3.46Å; E134-R171 VanDerWaalsContact OE2-CD 3.3Å; E134-R171 WeakPolarHBondContact OE2-CD 3.42Å; E134-R171 IonicContact OE2-CZ 3.91Å; E134-R171 IonicContact OE2-NH1 2.68Å; E134-R171 PolarHBondContact OE2-NH1 3.42Å; Q167-R171 WeakPolarHBondContact O-CG 3.48Å; Q167-R171 PolarHBondContact O-N 3.26Å; A168-R171 PolarHBondContact O-N 3.07Å; A169-R171 PolarHBondContact O-N 2.92Å; R171-R174 WeakPolarHBondContact O-CB 3.31Å; R171-R174 PolarHBondContact O-N 3.28Å; R171-Y175 HydrophobicContact CB-CE2 4.05Å; R171-Y175 WeakPolarHBondContact O-CD2 3.46Å; R171-Y175 PolarHBondContact O-N 3.34Å |
| 172 | W | 89.7 | Confident | 88.3 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -48.3 | 178 | -85.6 | 90.3 | 0 | 0 | 0 | 112.6 | W128 F129 L136 A141 I144 I145 A168 A169 R174 Y175 L176 | W128-W172 HydrophobicContact CH2-CE3 4.19Å; W128-W172 HydrophobicContact CH2-CH2 4.33Å; W128-W172 AromaticContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CH2-CZ3 3.67Å; W128-W172 HydrophobicContact CZ3-CE3 4.44Å; W128-W172 AromaticContact CZ3-CH2 3.85Å; W128-W172 HydrophobicContact CZ3-CH2 3.85Å; W128-W172 AromaticContact CZ3-CZ3 3.49Å; W128-W172 HydrophobicContact CZ3-CZ3 3.49Å; W128-W172 VanDerWaalsContact CZ3-CZ3 3.49Å; F129-W172 AromaticContact CD1-CH2 3.93Å; F129-W172 HydrophobicContact CD1-CH2 3.93Å; F129-W172 AromaticContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CH2 3.95Å; F129-W172 HydrophobicContact CE1-CZ3 4.34Å; L136-W172 HydrophobicContact CB-CZ2 4.21Å; L136-W172 HydrophobicContact CD2-CD2 4.24Å; L136-W172 HydrophobicContact CD2-CG 4.47Å; L136-W172 HydrophobicContact CD2-CZ2 4.05Å; A141-W172 HydrophobicContact CB-CH2 3.29Å; A141-W172 HydrophobicContact CB-CZ2 3.78Å; A141-W172 HydrophobicContact CB-CZ3 3.74Å; I144-W172 HydrophobicContact CD1-CB 3.88Å; I144-W172 HydrophobicContact CD1-CD2 4.06Å; I144-W172 HydrophobicContact CD1-CE3 4.48Å; I144-W172 HydrophobicContact CD1-CG 3.76Å; I144-W172 HydrophobicContact CG2-CB 4.17Å; I145-W172 HydrophobicContact CD1-CZ3 4.48Å; A168-W172 WeakPolarHBondContact O-CB 3.4Å; A168-W172 VanDerWaalsContact O-CD1 3.24Å; A168-W172 PolarHBondContact O-N 3.33Å; A169-W172 PolarHBondContact O-N 3.13Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.94Å; W172-Y175 PolarHBondContact O-N 2.74Å; W172-Y175 VanDerWaalsContact O-N 3.16Å; W172-L176 WeakPolarHBondContact O-CG 3.38Å; W172-L176 PolarHBondContact O-N 3.22Å |
| 173 | C | 88.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 112 | I155 A169 L176 R177 | I155-C173 HydrophobicContact CD1-CB 4.1Å; A169-C173 WeakPolarHBondContact O-CB 3.43Å; A169-C173 PolarHBondContact O-N 3.19Å; A169-C173 PolarHBondContact O-SG 3.47Å; A169-C173 VanDerWaalsContact O-SG 3.34Å; C173-L176 PolarHBondContact O-N 2.99Å; C173-R177 WeakPolarHBondContact O-CG 3.43Å; C173-R177 PolarHBondContact O-N 2.83Å |
| 174 | R | 88.1 | Confident | 87.6 | Confident | 169 Ų | 169 | 49.7 Ų | 49.7 | 64% | 0.638 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.2 | -43.3 | 173.6 | -179.5 | 177.8 | 178.3 | 164 | -3.8 | 111.5 | I170 R171 W172 R177 Q178 | I170-R174 VanDerWaalsContact O-CB 3.31Å; I170-R174 WeakPolarHBondContact O-CB 3.48Å; I170-R174 PolarHBondContact O-N 2.89Å; R171-R174 WeakPolarHBondContact O-CB 3.31Å; R171-R174 PolarHBondContact O-N 3.28Å; W172-R174 VanDerWaalsContact C-N 3.3Å; W172-R174 PolarHBondContact O-N 2.94Å; R174-R177 PolarHBondContact O-N 3.29Å; R174-Q178 PolarHBondContact O-N 2.93Å |
| 175 | Y | 88.1 | Confident | 86.9 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 179.4 | -65.1 | -44.8 | 0 | 0 | 0 | 113 | R133 R171 W172 Q178 L179 | R133-Y175 HydrophobicContact CB-CE2 4.28Å; R133-Y175 HydrophobicContact CG-CD2 4.34Å; R133-Y175 HydrophobicContact CG-CE2 3.83Å; R133-Y175 VanDerWaalsContact NH1-CE1 3.26Å; R133-Y175 VanDerWaalsContact NH1-CE2 3.34Å; R171-Y175 HydrophobicContact CB-CE2 4.05Å; R171-Y175 WeakPolarHBondContact O-CD2 3.46Å; R171-Y175 PolarHBondContact O-N 3.34Å; W172-Y175 PolarHBondContact O-N 2.74Å; W172-Y175 VanDerWaalsContact O-N 3.16Å; Y175-Q178 PolarHBondContact O-N 3.44Å; Y175-L179 WeakPolarHBondContact O-CG 3.14Å; Y175-L179 PolarHBondContact O-N 3.18Å |
| 176 | L | 88.8 | Confident | 86 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.1 | -65 | 171.5 | 0 | 0 | 0 | 111.8 | W128 I144 I145 W148 W172 C173 Q178 L179 A180 I216 | W128-L176 HydrophobicContact CH2-CD2 4.38Å; I144-L176 HydrophobicContact CG2-CD1 3.92Å; I145-L176 HydrophobicContact CG1-CD1 4.41Å; I145-L176 HydrophobicContact CG1-CD2 4Å; W148-L176 HydrophobicContact CB-CD1 3.6Å; W148-L176 HydrophobicContact CD2-CB 3.65Å; W148-L176 HydrophobicContact CD2-CD1 3.91Å; W148-L176 HydrophobicContact CD2-CG 4.36Å; W148-L176 HydrophobicContact CE3-CB 4.02Å; W148-L176 HydrophobicContact CE3-CD1 4.35Å; W148-L176 HydrophobicContact CG-CB 4.04Å; W148-L176 HydrophobicContact CG-CD1 3.54Å; W148-L176 HydrophobicContact CG-CG 4.42Å; W148-L176 HydrophobicContact CZ2-CB 4.17Å; W148-L176 HydrophobicContact CZ3-CB 4.44Å; W172-L176 WeakPolarHBondContact O-CG 3.38Å; W172-L176 PolarHBondContact O-N 3.22Å; C173-L176 PolarHBondContact O-N 2.99Å; L176-Q178 VanDerWaalsContact C-N 3.33Å; L176-Q178 PolarHBondContact O-N 3.42Å; L176-L179 HydrophobicContact CD2-CD1 4.29Å; L176-L179 PolarHBondContact O-N 2.91Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.04Å; L176-I216 HydrophobicContact CD2-CG1 4.25Å |
| 177 | R | 88.6 | Confident | 84.6 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 36% | 0.355 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 171.9 | -77.1 | -174.2 | -117.9 | 117.6 | -3.3 | 112.5 | W148 C173 R174 A180 A181 | W148-R177 HydrophobicContact CZ2-CG 4.22Å; C173-R177 WeakPolarHBondContact O-CG 3.43Å; C173-R177 PolarHBondContact O-N 2.83Å; R174-R177 PolarHBondContact O-N 3.29Å; R177-A180 PolarHBondContact O-N 3.03Å; R177-A181 WeakPolarHBondContact O-CB 3.37Å; R177-A181 PolarHBondContact O-N 2.67Å |
| 178 | Q | 86.4 | Confident | 83 | Confident | 101 Ų | 101 | 50.7 Ų | 50.7 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 176.6 | -171.1 | 65 | 48.5 | 0 | 0 | 111.1 | R174 Y175 L176 A180 A181 D182 | R174-Q178 PolarHBondContact O-N 2.93Å; Y175-Q178 PolarHBondContact O-N 3.44Å; L176-Q178 VanDerWaalsContact C-N 3.33Å; L176-Q178 PolarHBondContact O-N 3.42Å; Q178-A180 VanDerWaalsContact C-N 3.3Å; Q178-A180 PolarHBondContact O-N 3.12Å; Q178-A181 PolarHBondContact O-N 2.92Å; Q178-A181 VanDerWaalsContact O-N 3.13Å; Q178-D182 PolarHBondContact NE2-OD1 3.38Å; Q178-D182 PolarHBondContact O-N 3.32Å |
| 179 | L | 87.3 | Confident | 81.4 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.7 | -44.3 | 177 | -75.3 | 169.7 | 0 | 0 | 0 | 112.3 | W128 Y175 L176 A183 I216 V219 I220 | W128-L179 HydrophobicContact CH2-CD1 4.29Å; W128-L179 HydrophobicContact CZ2-CD1 3.45Å; W128-L179 VanDerWaalsContact CZ2-CD1 3.45Å; W128-L179 HydrophobicContact CZ2-CG 4.42Å; Y175-L179 WeakPolarHBondContact O-CG 3.14Å; Y175-L179 PolarHBondContact O-N 3.18Å; L176-L179 HydrophobicContact CD2-CD1 4.29Å; L176-L179 PolarHBondContact O-N 2.91Å; L179-A183 VanDerWaalsContact O-CB 3.29Å; L179-A183 WeakPolarHBondContact O-CB 3.03Å; L179-A183 PolarHBondContact O-N 3.13Å; L179-I216 HydrophobicContact CB-CD1 4.22Å; L179-V219 HydrophobicContact CB-CG1 4.06Å; L179-V219 HydrophobicContact CD2-CG1 4.12Å; L179-I220 HydrophobicContact CD1-CD1 4.32Å; L179-I220 HydrophobicContact CD1-CG1 3.56Å |
| 180 | A | 86.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W148 L176 R177 Q178 L184 W203 | W148-A180 HydrophobicContact CH2-CB 3.71Å; W148-A180 HydrophobicContact CZ2-CB 4.41Å; L176-A180 WeakPolarHBondContact O-CB 3.44Å; L176-A180 PolarHBondContact O-N 3.04Å; R177-A180 PolarHBondContact O-N 3.03Å; Q178-A180 VanDerWaalsContact C-N 3.3Å; Q178-A180 PolarHBondContact O-N 3.12Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.13Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 2.71Å; A180-W203 HydrophobicContact CB-CB 4.1Å; A180-W203 HydrophobicContact CB-CD2 3.69Å; A180-W203 HydrophobicContact CB-CE3 3.69Å; A180-W203 HydrophobicContact CB-CG 3.85Å |
| 181 | A | 84.1 | Confident | 77.5 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R177 Q178 A183 L184 A185 | R177-A181 WeakPolarHBondContact O-CB 3.37Å; R177-A181 PolarHBondContact O-N 2.67Å; Q178-A181 PolarHBondContact O-N 2.92Å; Q178-A181 VanDerWaalsContact O-N 3.13Å; A181-A183 VanDerWaalsContact C-N 3.31Å; A181-A183 PolarHBondContact O-N 3.05Å; A181-L184 WeakPolarHBondContact O-CB 3.06Å; A181-L184 PolarHBondContact O-N 3.44Å; A181-A185 PolarHBondContact O-N 3.24Å |
| 182 | D | 82.3 | Confident | 75.3 | Confident | 41 Ų | 41 | 65 Ų | 65 | 22% | 0.219 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 178.3 | -64.3 | -18.6 | 0 | 0 | 0 | 110.4 | Q178 L184 A185 T186 P224 | Q178-D182 PolarHBondContact NE2-OD1 3.38Å; Q178-D182 PolarHBondContact O-N 3.32Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 2.73Å; D182-A185 WeakPolarHBondContact O-CB 3.31Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 VanDerWaalsContact O-N 3.16Å; D182-T186 PolarHBondContact O-N 2.93Å; D182-T186 PolarHBondContact O-OG1 3.34Å; D182-T186 VanDerWaalsContact O-OG1 3.1Å; D182-P224 HydrophobicContact CB-CG 3.62Å |
| 183 | A | 82.9 | Confident | 73.5 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L179 A181 W203 R206 V219 | L179-A183 VanDerWaalsContact O-CB 3.29Å; L179-A183 WeakPolarHBondContact O-CB 3.03Å; L179-A183 PolarHBondContact O-N 3.13Å; A181-A183 VanDerWaalsContact C-N 3.31Å; A181-A183 PolarHBondContact O-N 3.05Å; A183-W203 HydrophobicContact CB-CE3 4.43Å; A183-W203 HydrophobicContact CB-CH2 3.48Å; A183-W203 VanDerWaalsContact CB-CH2 3.48Å; A183-W203 HydrophobicContact CB-CZ3 3.27Å; A183-R206 PolarHBondContact O-NH1 3.32Å; A183-R206 PolarHBondContact O-NH2 2.64Å; A183-V219 HydrophobicContact CB-CG1 3.88Å; A183-V219 HydrophobicContact CB-CG2 3.78Å |
| 184 | L | 79.5 | Confident | 71.2 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 170.8 | -76.8 | 162.4 | 0 | 0 | 0 | 111.6 | A180 A181 D182 T186 T187 M202 W203 R206 | A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CD1 3.13Å; A180-L184 WeakPolarHBondContact O-CG 3.45Å; A180-L184 PolarHBondContact O-N 2.71Å; A181-L184 WeakPolarHBondContact O-CB 3.06Å; A181-L184 PolarHBondContact O-N 3.44Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 2.73Å; L184-T186 VanDerWaalsContact C-N 3.29Å; L184-T186 PolarHBondContact O-N 2.76Å; L184-T187 CarbonylContact O-C 3.53Å; L184-T187 PolarHBondContact O-N 2.91Å; L184-M202 HydrophobicContact CD1-CB 3.99Å; L184-M202 HydrophobicContact CD1-CE 4.29Å; L184-M202 HydrophobicContact CD2-CB 4.38Å; L184-W203 HydrophobicContact CD1-CE3 4.37Å; L184-W203 HydrophobicContact CG-CE3 3.97Å; L184-W203 HydrophobicContact CG-CZ3 4.41Å; L184-R206 HydrophobicContact CD2-CB 4.03Å; L184-R206 HydrophobicContact CD2-CG 4.36Å |
| 185 | A | 75.4 | Confident | 69.3 | Low | 72 Ų | 72 | 67.7 Ų | 67.7 | 60% | 0.595 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.7 | -32 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | A181 D182 T187 | A181-A185 PolarHBondContact O-N 3.24Å; D182-A185 WeakPolarHBondContact O-CB 3.31Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 VanDerWaalsContact O-N 3.16Å; A185-T187 PolarHBondContact O-N 3Å |
| 186 | T | 70.9 | Confident | 67.4 | Low | 88 Ų | 88 | 72.2 Ų | 72.2 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22 | 179.6 | -43 | 0 | 0 | 0 | 0 | 113.9 | D182 L184 P224 | D182-T186 PolarHBondContact O-N 2.93Å; D182-T186 PolarHBondContact O-OG1 3.34Å; D182-T186 VanDerWaalsContact O-OG1 3.1Å; L184-T186 VanDerWaalsContact C-N 3.29Å; L184-T186 PolarHBondContact O-N 2.76Å; T186-P224 HydrophobicContact CG2-CB 4.39Å; T186-P224 WeakPolarHBondContact OG1-CB 3.48Å |
| 187 | T | 62.5 | Low | 65.5 | Low | 64 Ų | 64 | 80.7 Ų | 80.7 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -127.6 | 98.2 | 170.2 | 65.5 | 0 | 0 | 0 | 0 | 107.6 | L184 A185 V189 R206 | L184-T187 CarbonylContact O-C 3.53Å; L184-T187 PolarHBondContact O-N 2.91Å; A185-T187 PolarHBondContact O-N 3Å; T187-V189 PolarHBondContact O-N 2.94Å; T187-R206 PolarHBondContact OG1-NE 2.89Å; T187-R206 PolarHBondContact OG1-NH2 3.31Å |
| 188 | P | 55.3 | Low | 63.9 | Low | 120 Ų | 120 | 79.2 Ų | 79.2 | 78% | 0.779 | 49% | 0.486 | S | S | * | . | trans | -59.1 | 105 | -176 | 23.1 | -32.3 | 0 | 0 | 0 | 109.2 | Q190 | P188-Q190 PolarHBondContact O-N 2.98Š| ||
| 189 | V | 56.2 | Low | 62.8 | Low | 76 Ų | 76 | 75.3 Ų | 75.3 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | trans | -79.2 | 115.6 | 165 | -174.8 | 0 | 0 | 0 | 0 | 104.6 | T187 L191 | T187-V189 PolarHBondContact O-N 2.94Å; V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 HydrophobicContact CB-CD1 4.48Å; V189-L191 HydrophobicContact CG1-CD1 3.58Å; V189-L191 HydrophobicContact CG1-CG 3.84Å; V189-L191 PolarHBondContact O-N 2.8Å | ||
| 190 | Q | 46.8 | Very low | 61.8 | Low | 194 Ų | 194 | 77.1 Ų | 77.1 | 91% | 0.907 | 48% | 0.478 | S | S | * | . | trans | -63 | 94.1 | 173.2 | -78.6 | 175.1 | -19.2 | 0 | 0 | 109.1 | P188 | P188-Q190 PolarHBondContact O-N 2.98Š| ||
| 191 | L | 51.6 | Low | 60.9 | Low | 107 Ų | 107 | 82.1 Ų | 82.1 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | trans | -139.6 | 111.4 | 172.8 | -75 | 169.3 | 0 | 0 | 0 | 108.9 | V189 M202 | V189-L191 VanDerWaalsContact C-N 3.33Å; V189-L191 HydrophobicContact CB-CD1 4.48Å; V189-L191 HydrophobicContact CG1-CD1 3.58Å; V189-L191 HydrophobicContact CG1-CG 3.84Å; V189-L191 PolarHBondContact O-N 2.8Å; L191-M202 HydrophobicContact CD1-SD 4.22Å | ||
| 192 | G | 43.2 | Very low | 60.3 | Low | 85 Ų | 85 | 82.7 Ų | 82.7 | 88% | 0.876 | 50% | 0.497 | S | S | * | . | trans | -70.3 | 143 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 193 | G | 51.2 | Low | 60 | Low | 52 Ų | 52 | 81.2 Ų | 81.2 | 54% | 0.536 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 119.5 | 126.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G195 | G193-G195 PolarHBondContact O-N 3.37Š|
| 194 | P | 40.5 | Very low | 59.6 | Low | 144 Ų | 144 | 84.7 Ų | 84.7 | 94% | 0.935 | 50% | 0.5 | S | S | * | . | trans | -75.6 | 119.1 | 176 | 28.7 | -28.6 | 0 | 0 | 0 | 110.3 | ||||
| 195 | G | 47.9 | Very low | 59.4 | Low | 36 Ų | 36 | 91.9 Ų | 91.9 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | trans | -159.9 | 103.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G193 H197 L198 | G193-G195 PolarHBondContact O-N 3.37Å; G195-H197 PolarHBondContact O-N 3.23Å; G195-L198 WeakPolarHBondContact O-CB 3.29Å; G195-L198 WeakPolarHBondContact O-CD1 3.42Å; G195-L198 WeakPolarHBondContact O-CG 3.14Å; G195-L198 PolarHBondContact O-N 2.83Å | ||
| 196 | L | 47.7 | Very low | 59.4 | Low | 167 Ų | 167 | 92.6 Ų | 92.6 | 87% | 0.874 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -6.5 | -176 | -159.9 | 68.4 | 0 | 0 | 0 | 114.8 | ||
| 197 | H | 49.8 | Very low | 59.6 | Low | 178 Ų | 178 | 89.7 Ų | 89.7 | 82% | 0.824 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -9.3 | 172.2 | -84.4 | -107.4 | 0 | 0 | 0 | 113.7 | G195 S199 | G195-H197 PolarHBondContact O-N 3.23Å; H197-S199 VanDerWaalsContact C-N 3.33Å; H197-S199 PolarHBondContact O-N 3.39Å |
| 198 | L | 54.5 | Low | 60.3 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 33% | 0.33 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.4 | -27.8 | -174.8 | -65.2 | 169.2 | 0 | 0 | 0 | 111.4 | G195 E200 F201 M202 | G195-L198 WeakPolarHBondContact O-CB 3.29Å; G195-L198 WeakPolarHBondContact O-CD1 3.42Å; G195-L198 WeakPolarHBondContact O-CG 3.14Å; G195-L198 PolarHBondContact O-N 2.83Å; L198-E200 PolarHBondContact O-N 3.4Å; L198-F201 PolarHBondContact O-N 3.1Å; L198-M202 HydrophobicContact CB-CE 3.3Å; L198-M202 HydrophobicContact CB-CG 3.9Å; L198-M202 HydrophobicContact CB-SD 3.67Å; L198-M202 HydrophobicContact CD1-SD 4.42Å; L198-M202 HydrophobicContact CG-SD 4.49Å; L198-M202 WeakPolarHBondContact O-CA 3.46Å; L198-M202 WeakPolarHBondContact O-CB 3.01Å; L198-M202 WeakPolarHBondContact O-CG 3.3Å; L198-M202 PolarHBondContact O-N 3.16Å |
| 199 | S | 63.7 | Low | 61 | Low | 18 Ų | 18 | 89.6 Ų | 89.6 | 13% | 0.126 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | -168.6 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | H197 W203 | H197-S199 VanDerWaalsContact C-N 3.33Å; H197-S199 PolarHBondContact O-N 3.39Å; S199-W203 WeakPolarHBondContact O-CA 3.4Å; S199-W203 WeakPolarHBondContact O-CB 3.47Å; S199-W203 PolarHBondContact O-N 2.74Å |
| 200 | E | 66.5 | Low | 62 | Low | 51 Ų | 51 | 88.6 Ų | 88.6 | 24% | 0.238 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 178.8 | -172.7 | -179 | 145.9 | 0 | 0 | 112.3 | W148 G151 L198 W203 R204 | W148-E200 HydrophobicContact CH2-CG 4.45Å; W148-E200 HydrophobicContact CZ2-CB 4.16Å; W148-E200 HydrophobicContact CZ2-CG 3.98Å; G151-E200 WeakPolarHBondContact CA-OE1 3.4Å; L198-E200 PolarHBondContact O-N 3.4Å; E200-W203 WeakPolarHBondContact O-CB 3.32Å; E200-W203 PolarHBondContact O-N 3.46Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-R204 VanDerWaalsContact O-N 3.09Å; E200-R204 IonicContact OE1-CZ 3.96Å; E200-R204 IonicContact OE1-NH1 2.68Å; E200-R204 PolarHBondContact OE1-NH1 2.94Å; E200-R204 IonicContact OE1-NH2 3.41Å; E200-R204 PolarHBondContact OE1-NH2 2.9Å |
| 201 | F | 66.8 | Low | 63.8 | Low | 105 Ų | 105 | 80.5 Ų | 80.5 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 179 | 177.8 | -103.1 | 0 | 0 | 0 | 112.3 | L198 W203 R204 R205 | L198-F201 PolarHBondContact O-N 3.1Å; F201-W203 VanDerWaalsContact C-N 3.31Å; F201-R204 PolarHBondContact O-N 3.43Å; F201-R205 HydrophobicContact CE1-CG 4.25Å; F201-R205 HydrophobicContact CZ-CG 4.35Å; F201-R205 PolarHBondContact O-N 3.27Å |
| 202 | M | 70.8 | Confident | 65.4 | Low | 48 Ų | 48 | 76.3 Ų | 76.3 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.6 | -38.1 | 173.7 | -70.6 | -171 | -55 | 0 | 0 | 111.1 | L184 L191 L198 R205 R206 | L184-M202 HydrophobicContact CD1-CB 3.99Å; L184-M202 HydrophobicContact CD1-CE 4.29Å; L184-M202 HydrophobicContact CD2-CB 4.38Å; L191-M202 HydrophobicContact CD1-SD 4.22Å; L198-M202 HydrophobicContact CB-CE 3.3Å; L198-M202 HydrophobicContact CB-CG 3.9Å; L198-M202 HydrophobicContact CB-SD 3.67Å; L198-M202 HydrophobicContact CD1-SD 4.42Å; L198-M202 HydrophobicContact CG-SD 4.49Å; L198-M202 WeakPolarHBondContact O-CA 3.46Å; L198-M202 WeakPolarHBondContact O-CB 3.01Å; L198-M202 WeakPolarHBondContact O-CG 3.3Å; L198-M202 PolarHBondContact O-N 3.16Å; M202-R205 PolarHBondContact O-N 2.64Å; M202-R206 WeakPolarHBondContact O-CB 3.4Å; M202-R206 PolarHBondContact O-N 3.34Å |
| 203 | W | 77.1 | Confident | 67.6 | Low | 10 Ų | 10 | 72.2 Ų | 72.2 | 4% | 0.038 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.9 | -52.8 | 173.6 | -175.4 | -107.7 | 0 | 0 | 0 | 110.8 | W148 A180 A183 L184 S199 E200 F201 R205 R206 I207 I216 V219 | W148-W203 HydrophobicContact CH2-CG 4.46Å; A180-W203 HydrophobicContact CB-CB 4.1Å; A180-W203 HydrophobicContact CB-CD2 3.69Å; A180-W203 HydrophobicContact CB-CE3 3.69Å; A180-W203 HydrophobicContact CB-CG 3.85Å; A183-W203 HydrophobicContact CB-CE3 4.43Å; A183-W203 HydrophobicContact CB-CH2 3.48Å; A183-W203 VanDerWaalsContact CB-CH2 3.48Å; A183-W203 HydrophobicContact CB-CZ3 3.27Å; L184-W203 HydrophobicContact CD1-CE3 4.37Å; L184-W203 HydrophobicContact CG-CE3 3.97Å; L184-W203 HydrophobicContact CG-CZ3 4.41Å; S199-W203 WeakPolarHBondContact O-CA 3.4Å; S199-W203 WeakPolarHBondContact O-CB 3.47Å; S199-W203 PolarHBondContact O-N 2.74Å; E200-W203 WeakPolarHBondContact O-CB 3.32Å; E200-W203 PolarHBondContact O-N 3.46Å; F201-W203 VanDerWaalsContact C-N 3.31Å; W203-R205 VanDerWaalsContact C-N 3.34Å; W203-R205 PolarHBondContact O-N 2.82Å; W203-R206 PolarHBondContact O-N 3.21Å; W203-I207 HydrophobicContact CD2-CD1 4.17Å; W203-I207 HydrophobicContact CG-CD1 4Å; W203-I207 HydrophobicContact CZ2-CD1 4.19Å; W203-I207 HydrophobicContact CZ2-CG1 4.44Å; W203-I207 WeakPolarHBondContact O-CD1 3.31Å; W203-I207 VanDerWaalsContact O-CG1 3.26Å; W203-I207 WeakPolarHBondContact O-CG1 3.37Å; W203-I207 PolarHBondContact O-N 2.99Å; W203-I216 HydrophobicContact CZ2-CD1 4.3Å; W203-V219 HydrophobicContact CH2-CG2 3.26Å; W203-V219 HydrophobicContact CZ2-CG2 3.51Å; W203-V219 HydrophobicContact CZ3-CG2 4.37Å |
| 204 | R | 74.7 | Confident | 69.4 | Low | 80 Ų | 80 | 70.6 Ų | 70.6 | 30% | 0.302 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -41.5 | 176.5 | -70.9 | -167.3 | -174.2 | 105.4 | 36.3 | 112.8 | W148 S149 G151 E200 F201 R206 I207 G208 | W148-R204 PolarHBondContact O-NH2 2.76Å; S149-R204 PolarHBondContact O-NE 2.96Å; S149-R204 PolarHBondContact O-NH2 3.46Å; G151-R204 VanDerWaalsContact CA-NH1 3.35Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-R204 VanDerWaalsContact O-N 3.09Å; E200-R204 IonicContact OE1-CZ 3.96Å; E200-R204 IonicContact OE1-NH1 2.68Å; E200-R204 PolarHBondContact OE1-NH1 2.94Å; E200-R204 IonicContact OE1-NH2 3.41Å; E200-R204 PolarHBondContact OE1-NH2 2.9Å; F201-R204 PolarHBondContact O-N 3.43Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-R206 PolarHBondContact O-N 3.27Å; R204-I207 PolarHBondContact O-N 3.11Å; R204-G208 PolarHBondContact O-N 3.31Å |
| 205 | R | 74.6 | Confident | 71.7 | Confident | 172 Ų | 172 | 64.6 Ų | 64.6 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.8 | -41.5 | 175.1 | -81.4 | -171.3 | 161.6 | 176.2 | -0.6 | 112.4 | F201 M202 W203 G208 | F201-R205 HydrophobicContact CE1-CG 4.25Å; F201-R205 HydrophobicContact CZ-CG 4.35Å; F201-R205 PolarHBondContact O-N 3.27Å; M202-R205 PolarHBondContact O-N 2.64Å; W203-R205 VanDerWaalsContact C-N 3.34Å; W203-R205 PolarHBondContact O-N 2.82Å; R205-G208 PolarHBondContact O-N 2.96Å |
| 206 | R | 75 | Confident | 73.7 | Confident | 87 Ų | 87 | 62.9 Ų | 62.9 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 179.6 | 176.7 | 168.5 | 177.3 | -126 | 15.2 | 112.9 | A183 L184 T187 M202 W203 R204 G208 | A183-R206 PolarHBondContact O-NH1 3.32Å; A183-R206 PolarHBondContact O-NH2 2.64Å; L184-R206 HydrophobicContact CD2-CB 4.03Å; L184-R206 HydrophobicContact CD2-CG 4.36Å; T187-R206 PolarHBondContact OG1-NE 2.89Å; T187-R206 PolarHBondContact OG1-NH2 3.31Å; M202-R206 WeakPolarHBondContact O-CB 3.4Å; M202-R206 PolarHBondContact O-N 3.34Å; W203-R206 PolarHBondContact O-N 3.21Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-R206 PolarHBondContact O-N 3.27Å; R206-G208 PolarHBondContact O-N 3.1Å |
| 207 | I | 76.1 | Confident | 75.9 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.3 | -26.9 | 178 | -64.3 | 161.2 | 0 | 0 | 0 | 110.7 | W203 R204 T209 A210 A212 A215 | W203-I207 HydrophobicContact CD2-CD1 4.17Å; W203-I207 HydrophobicContact CG-CD1 4Å; W203-I207 HydrophobicContact CZ2-CD1 4.19Å; W203-I207 HydrophobicContact CZ2-CG1 4.44Å; W203-I207 WeakPolarHBondContact O-CD1 3.31Å; W203-I207 VanDerWaalsContact O-CG1 3.26Å; W203-I207 WeakPolarHBondContact O-CG1 3.37Å; W203-I207 PolarHBondContact O-N 2.99Å; R204-I207 PolarHBondContact O-N 3.11Å; I207-T209 PolarHBondContact O-N 3.4Å; I207-A210 HydrophobicContact CG2-CB 3.38Å; I207-A210 VanDerWaalsContact CG2-O 3.23Å; I207-A210 WeakPolarHBondContact CG2-O 3.38Å; I207-A210 WeakPolarHBondContact O-CB 3.44Å; I207-A210 PolarHBondContact O-N 3.25Å; I207-A212 HydrophobicContact CD1-CB 4.24Å; I207-A215 HydrophobicContact CD1-CB 3.65Å; I207-A215 HydrophobicContact CG1-CB 3.77Å; I207-A215 HydrophobicContact CG2-CB 3.9Å |
| 208 | G | 76.3 | Confident | 77.8 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 58% | 0.577 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | -117.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | R204 R205 R206 | R204-G208 PolarHBondContact O-N 3.31Å; R205-G208 PolarHBondContact O-N 2.96Å; R206-G208 PolarHBondContact O-N 3.1Å |
| 209 | T | 70.5 | Confident | 79.4 | Confident | 126 Ų | 126 | 48.8 Ų | 48.8 | 77% | 0.773 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.6 | -179.3 | 60.2 | 0 | 0 | 0 | 0 | 114 | R56 I207 | R56-T209 PolarHBondContact NH1-O 3.26Å; R56-T209 PolarHBondContact NH2-O 3.42Å; I207-T209 PolarHBondContact O-N 3.4Å |
| 210 | A | 76.5 | Confident | 80.7 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -68.8 | 154.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I207 A212 | I207-A210 HydrophobicContact CG2-CB 3.38Å; I207-A210 VanDerWaalsContact CG2-O 3.23Å; I207-A210 WeakPolarHBondContact CG2-O 3.38Å; I207-A210 WeakPolarHBondContact O-CB 3.44Å; I207-A210 PolarHBondContact O-N 3.25Å; A210-A212 PolarHBondContact O-N 3.04Å |
| 211 | D | 84.1 | Confident | 81.7 | Confident | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | trans | -71.9 | 116.9 | -178.1 | -177.9 | -81 | 0 | 0 | 0 | 109.5 | R59 F213 D214 A215 | R59-D211 IonicContact CZ-OD1 3.84Å; R59-D211 IonicContact CZ-OD2 3.31Å; R59-D211 IonicContact NH1-OD1 2.71Å; R59-D211 PolarHBondContact NH1-OD1 3.47Å; R59-D211 IonicContact NH1-OD2 3.93Å; R59-D211 PolarHBondContact NH1-OD2 3.17Å; D211-F213 PolarHBondContact O-N 3.03Å; D211-F213 WeakPolarHBondContact OD1-CA 3.23Å; D211-F213 VanDerWaalsContact OD1-CB 3.31Å; D211-F213 WeakPolarHBondContact OD1-CB 3.38Å; D211-F213 PolarHBondContact OD1-N 2.84Å; D211-D214 HydrophobicContact CB-CB 4.22Å; D211-D214 PolarHBondContact O-N 3.45Å; D211-D214 PolarHBondContact OD1-N 3.18Å; D211-A215 WeakPolarHBondContact O-CB 3.31Å; D211-A215 PolarHBondContact O-N 3.33Å | ||
| 212 | A | 86.6 | Confident | 82.6 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -29.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I207 A210 I216 | I207-A212 HydrophobicContact CD1-CB 4.24Å; A210-A212 PolarHBondContact O-N 3.04Å; A212-I216 WeakPolarHBondContact O-CG2 3.38Å; A212-I216 PolarHBondContact O-N 2.94Å |
| 213 | F | 89.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.3 | -50.1 | 177.3 | 179 | -118.8 | 0 | 0 | 0 | 110.5 | W67 F81 V142 I145 Y146 S149 D211 A215 I216 L217 | W67-F213 HydrophobicContact CH2-CE1 4.2Å; W67-F213 HydrophobicContact CH2-CZ 4.38Å; W67-F213 HydrophobicContact CZ2-CD1 4.24Å; W67-F213 AromaticContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CE1 3.81Å; W67-F213 HydrophobicContact CZ2-CZ 4.34Å; F81-F213 HydrophobicContact CE1-CE1 4.3Å; F81-F213 HydrophobicContact CE1-CZ 4.14Å; F81-F213 AromaticContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CE1 3.8Å; F81-F213 HydrophobicContact CZ-CZ 4.11Å; V142-F213 HydrophobicContact CG1-CZ 4.12Å; I145-F213 HydrophobicContact CB-CE2 4.13Å; I145-F213 HydrophobicContact CG2-CD2 3.95Å; I145-F213 HydrophobicContact CG2-CE2 3.72Å; Y146-F213 VanDerWaalsContact CA-CD2 3.5Å; Y146-F213 HydrophobicContact CD2-CB 4.09Å; Y146-F213 HydrophobicContact CD2-CD1 4.27Å; Y146-F213 AromaticContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CD2 3.87Å; Y146-F213 HydrophobicContact CD2-CE2 4.29Å; Y146-F213 AromaticContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CD2-CG 3.83Å; Y146-F213 HydrophobicContact CG-CD2 4.44Å; S149-F213 WeakPolarHBondContact OG-CB 3.49Å; D211-F213 PolarHBondContact O-N 3.03Å; D211-F213 WeakPolarHBondContact OD1-CA 3.23Å; D211-F213 VanDerWaalsContact OD1-CB 3.31Å; D211-F213 WeakPolarHBondContact OD1-CB 3.38Å; D211-F213 PolarHBondContact OD1-N 2.84Å; F213-A215 VanDerWaalsContact C-N 3.27Å; F213-A215 PolarHBondContact O-N 2.75Å; F213-I216 WeakPolarHBondContact O-CG2 3.32Å; F213-I216 PolarHBondContact O-N 2.89Å; F213-L217 HydrophobicContact CD1-CD1 4.01Å; F213-L217 HydrophobicContact CD2-CG 4.46Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.5Å; F213-L217 HydrophobicContact CE2-CD1 4.25Å; F213-L217 HydrophobicContact CE2-CD2 4.13Å; F213-L217 HydrophobicContact CE2-CG 4.28Å; F213-L217 HydrophobicContact CG-CD1 4.49Å; F213-L217 HydrophobicContact CZ-CD1 3.8Å; F213-L217 HydrophobicContact CZ-CD2 4.26Å; F213-L217 HydrophobicContact CZ-CG 4.32Å; F213-L217 VanDerWaalsContact O-CG 3.29Å; F213-L217 WeakPolarHBondContact O-CG 3.43Å; F213-L217 PolarHBondContact O-N 2.81Å |
| 214 | D | 89.2 | Confident | 82.4 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 177.4 | -70.3 | -40 | 0 | 0 | 0 | 111.5 | R59 K85 D211 I216 L217 D218 | R59-D214 IonicContact NH2-OD1 3.9Å; R59-D214 IonicContact NH2-OD2 3.94Å; K85-D214 IonicContact NZ-OD1 2.94Å; K85-D214 PolarHBondContact NZ-OD1 3.3Å; D211-D214 HydrophobicContact CB-CB 4.22Å; D211-D214 PolarHBondContact O-N 3.45Å; D211-D214 PolarHBondContact OD1-N 3.18Å; D214-I216 PolarHBondContact O-N 3.33Å; D214-L217 PolarHBondContact O-N 2.96Å; D214-D218 PolarHBondContact O-N 3.07Å |
| 215 | A | 88.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I207 D211 F213 D218 V219 | I207-A215 HydrophobicContact CD1-CB 3.65Å; I207-A215 HydrophobicContact CG1-CB 3.77Å; I207-A215 HydrophobicContact CG2-CB 3.9Å; D211-A215 WeakPolarHBondContact O-CB 3.31Å; D211-A215 PolarHBondContact O-N 3.33Å; F213-A215 VanDerWaalsContact C-N 3.27Å; F213-A215 PolarHBondContact O-N 2.75Å; A215-D218 PolarHBondContact O-N 3.12Å; A215-V219 WeakPolarHBondContact O-CG2 3.29Å; A215-V219 PolarHBondContact O-N 3.06Å |
| 216 | I | 89.9 | Confident | 80.8 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.9 | -33.2 | 176.8 | -167.3 | 63.9 | 0 | 0 | 0 | 111.8 | I145 W148 L176 L179 W203 A212 F213 D214 D218 V219 I220 | I145-I216 HydrophobicContact CG2-CG2 3.59Å; W148-I216 HydrophobicContact CE3-CG1 4.35Å; W148-I216 HydrophobicContact CZ3-CD1 3.95Å; W148-I216 HydrophobicContact CZ3-CG1 4.02Å; L176-I216 HydrophobicContact CD2-CG1 4.25Å; L179-I216 HydrophobicContact CB-CD1 4.22Å; W203-I216 HydrophobicContact CZ2-CD1 4.3Å; A212-I216 WeakPolarHBondContact O-CG2 3.38Å; A212-I216 PolarHBondContact O-N 2.94Å; F213-I216 WeakPolarHBondContact O-CG2 3.32Å; F213-I216 PolarHBondContact O-N 2.89Å; D214-I216 PolarHBondContact O-N 3.33Å; I216-D218 VanDerWaalsContact C-N 3.31Å; I216-D218 PolarHBondContact O-N 3.37Å; I216-V219 HydrophobicContact CD1-CB 4.46Å; I216-V219 PolarHBondContact O-N 2.85Å; I216-I220 WeakPolarHBondContact O-CG1 2.92Å; I216-I220 PolarHBondContact O-N 3.16Å; I216-I220 VanDerWaalsContact O-N 3.07Å |
| 217 | L | 92.2 | Very high | 79.6 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 172.8 | -64.7 | -180 | 0 | 0 | 0 | 111.2 | F81 K85 L87 I145 F213 D214 V219 I220 L221 | F81-L217 HydrophobicContact CE1-CD1 4.31Å; F81-L217 HydrophobicContact CZ-CD1 4.24Å; K85-L217 HydrophobicContact CD-CD1 4.05Å; K85-L217 HydrophobicContact CG-CD1 4.27Å; L87-L217 HydrophobicContact CD1-CB 4.16Å; L87-L217 HydrophobicContact CD1-CD2 3.57Å; L87-L217 HydrophobicContact CD1-CG 4.27Å; I145-L217 HydrophobicContact CG2-CD2 3.9Å; F213-L217 HydrophobicContact CD1-CD1 4.01Å; F213-L217 HydrophobicContact CD2-CG 4.46Å; F213-L217 HydrophobicContact CE1-CD1 3.66Å; F213-L217 HydrophobicContact CE1-CG 4.5Å; F213-L217 HydrophobicContact CE2-CD1 4.25Å; F213-L217 HydrophobicContact CE2-CD2 4.13Å; F213-L217 HydrophobicContact CE2-CG 4.28Å; F213-L217 HydrophobicContact CG-CD1 4.49Å; F213-L217 HydrophobicContact CZ-CD1 3.8Å; F213-L217 HydrophobicContact CZ-CD2 4.26Å; F213-L217 HydrophobicContact CZ-CG 4.32Å; F213-L217 VanDerWaalsContact O-CG 3.29Å; F213-L217 WeakPolarHBondContact O-CG 3.43Å; F213-L217 PolarHBondContact O-N 2.81Å; D214-L217 PolarHBondContact O-N 2.96Å; L217-V219 VanDerWaalsContact C-N 3.34Å; L217-V219 PolarHBondContact O-N 3.2Å; L217-I220 HydrophobicContact CD2-CD1 4.45Å; L217-I220 PolarHBondContact O-N 2.85Å; L217-L221 PolarHBondContact O-N 3.17Å |
| 218 | D | 89.7 | Confident | 77.9 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 49% | 0.492 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.7 | -80 | -11.7 | 0 | 0 | 0 | 112.2 | D214 A215 I216 L221 R222 | D214-D218 PolarHBondContact O-N 3.07Å; A215-D218 PolarHBondContact O-N 3.12Å; I216-D218 VanDerWaalsContact C-N 3.31Å; I216-D218 PolarHBondContact O-N 3.37Å; D218-L221 PolarHBondContact O-N 3.47Å; D218-R222 PolarHBondContact O-N 2.77Å |
| 219 | V | 89.6 | Confident | 76.1 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | L179 A183 W203 A215 I216 L217 L221 R222 P223 | L179-V219 HydrophobicContact CB-CG1 4.06Å; L179-V219 HydrophobicContact CD2-CG1 4.12Å; A183-V219 HydrophobicContact CB-CG1 3.88Å; A183-V219 HydrophobicContact CB-CG2 3.78Å; W203-V219 HydrophobicContact CH2-CG2 3.26Å; W203-V219 HydrophobicContact CZ2-CG2 3.51Å; W203-V219 HydrophobicContact CZ3-CG2 4.37Å; A215-V219 WeakPolarHBondContact O-CG2 3.29Å; A215-V219 PolarHBondContact O-N 3.06Å; I216-V219 HydrophobicContact CD1-CB 4.46Å; I216-V219 PolarHBondContact O-N 2.85Å; L217-V219 VanDerWaalsContact C-N 3.34Å; L217-V219 PolarHBondContact O-N 3.2Å; V219-L221 VanDerWaalsContact C-N 3.28Å; V219-L221 PolarHBondContact O-N 3.34Å; V219-R222 CarbonylContact O-C 3.56Å; V219-R222 PolarHBondContact O-N 3.11Å; V219-P223 VanDerWaalsContact O-CA 3.29Å; V219-P223 WeakPolarHBondContact O-CA 3.3Å |
| 220 | I | 90.2 | Very high | 74.9 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 5% | 0.046 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64 | -39 | 176.6 | -64.3 | 164.6 | 0 | 0 | 0 | 110.3 | L87 W128 I145 L179 I216 L217 | L87-I220 HydrophobicContact CD2-CB 3.8Å; L87-I220 HydrophobicContact CD2-CG2 3.56Å; W128-I220 HydrophobicContact CB-CG2 3.67Å; W128-I220 HydrophobicContact CD2-CG2 3.72Å; W128-I220 HydrophobicContact CE3-CG2 3.87Å; W128-I220 HydrophobicContact CG-CG2 3.64Å; W128-I220 HydrophobicContact CZ3-CD1 4.41Å; I145-I220 HydrophobicContact CD1-CD1 3.99Å; I145-I220 HydrophobicContact CG1-CD1 4.48Å; I145-I220 HydrophobicContact CG2-CD1 4.47Å; L179-I220 HydrophobicContact CD1-CD1 4.32Å; L179-I220 HydrophobicContact CD1-CG1 3.56Å; I216-I220 WeakPolarHBondContact O-CG1 2.92Å; I216-I220 PolarHBondContact O-N 3.16Å; I216-I220 VanDerWaalsContact O-N 3.07Å; L217-I220 HydrophobicContact CD2-CD1 4.45Å; L217-I220 PolarHBondContact O-N 2.85Å |
| 221 | L | 88.4 | Confident | 73.6 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 34% | 0.335 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 179.3 | -176 | 61.7 | 0 | 0 | 0 | 112.2 | G86 L87 L217 D218 V219 | G86-L221 WeakPolarHBondContact O-CD1 3.41Å; L87-L221 HydrophobicContact CD2-CB 3.91Å; L87-L221 HydrophobicContact CD2-CD1 4.45Å; L217-L221 PolarHBondContact O-N 3.17Å; D218-L221 PolarHBondContact O-N 3.47Å; V219-L221 VanDerWaalsContact C-N 3.28Å; V219-L221 PolarHBondContact O-N 3.34Å |
| 222 | R | 84.6 | Confident | 71.6 | Confident | 182 Ų | 182 | 81.5 Ų | 81.5 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -131.2 | 74.6 | -176.6 | -57.8 | 179.9 | -149.7 | 162.4 | 10.3 | 108.8 | D218 V219 | D218-R222 PolarHBondContact O-N 2.77Å; V219-R222 CarbonylContact O-C 3.56Å; V219-R222 PolarHBondContact O-N 3.11Å |
| 223 | P | 76.6 | Confident | 69.9 | Low | 79 Ų | 79 | 90.3 Ų | 90.3 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 140.3 | 177.5 | 24.8 | -32.8 | 0 | 0 | 0 | 108.9 | V219 R225 | V219-P223 VanDerWaalsContact O-CA 3.29Å; V219-P223 WeakPolarHBondContact O-CA 3.3Å; P223-R225 PolarHBondContact O-N 2.91Å |
| 224 | P | 68.2 | Low | 68.2 | Low | 26 Ų | 26 | 99.9 Ų | 99.9 | 17% | 0.169 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.3 | 175.7 | 26.6 | -34.8 | 0 | 0 | 0 | 109.8 | D182 T186 Q226 | D182-P224 HydrophobicContact CB-CG 3.62Å; T186-P224 HydrophobicContact CG2-CB 4.39Å; T186-P224 WeakPolarHBondContact OG1-CB 3.48Å; P224-Q226 PolarHBondContact O-N 3.07Å |
| 225 | R | 61.9 | Low | 66.6 | Low | 223 Ų | 223 | 106.1 Ų | 106.1 | 84% | 0.842 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 125.2 | 179.7 | -65.1 | -175.5 | 179.8 | -171.8 | -0.1 | 108.7 | P223 D227 | P223-R225 PolarHBondContact O-N 2.91Å; R225-D227 PolarHBondContact O-N 3.03Å |
| 226 | Q | 53.9 | Low | 64.7 | Low | 167 Ų | 167 | 111.5 Ų | 111.5 | 78% | 0.78 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.5 | 174.7 | -66.1 | -172.7 | -47.6 | 0 | 0 | 112.5 | P224 | P224-Q226 PolarHBondContact O-N 3.07Š|
| 227 | D | 48.2 | Very low | 63.2 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 77% | 0.77 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 9.4 | -168.2 | -59 | -47.9 | 0 | 0 | 0 | 115.2 | R225 | R225-D227 PolarHBondContact O-N 3.03Š|
| 228 | E | 41 | Very low | 61.5 | Low | 158 Ų | 158 | 122 Ų | 122 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -86.8 | 121.6 | 169 | -84.2 | -69.7 | 135.4 | 0 | 0 | 109.4 | H230 | E228-H230 PolarHBondContact O-N 2.85Š|
| 229 | P | 38 | Very low | 60.4 | Low | 107 Ų | 107 | 123.2 Ų | 123.2 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 129.6 | 173.7 | -14.9 | 26.5 | 0 | 0 | 0 | 108.5 | ||
| 230 | H | 45.9 | Very low | 58.5 | Low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 131.5 | 170.1 | -105.4 | 52.4 | 0 | 0 | 0 | 108.6 | E228 | E228-H230 PolarHBondContact O-N 2.85Š|
| 231 | P | 48.2 | Very low | 56.7 | Low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.2 | 168 | 23.6 | -30.7 | 0 | 0 | 0 | 107.6 | R233 | P231-R233 PolarHBondContact O-N 3.12Š|
| 232 | P | 43 | Very low | 54.9 | Low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137.4 | -178.9 | 23.7 | -31.9 | 0 | 0 | 0 | 108.3 | Q234 | P232-Q234 PolarHBondContact O-N 2.81Š|
| 233 | R | 50.7 | Low | 53.4 | Low | 202 Ų | 202 | 137.8 Ų | 137.8 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 127.7 | 172 | -80.1 | -172.4 | 170.3 | -152.7 | -0.6 | 107.2 | P231 D235 E236 | P231-R233 PolarHBondContact O-N 3.12Å; R233-D235 PolarHBondContact O-N 3.11Å; R233-E236 PolarHBondContact O-N 3.04Å |
| 234 | Q | 53.6 | Low | 51.7 | Low | 201 Ų | 201 | 139.7 Ų | 139.7 | 94% | 0.939 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -3 | 177.4 | -67 | -176.1 | -48.4 | 0 | 0 | 113.1 | P232 | P232-Q234 PolarHBondContact O-N 2.81Š|
| 235 | D | 56.3 | Low | 50.8 | Low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 5.3 | 176.6 | -58.8 | -49 | 0 | 0 | 0 | 113.9 | R233 | R233-D235 PolarHBondContact O-N 3.11Š|
| 236 | E | 49.3 | Very low | 49.8 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -85.8 | 119.4 | 178.3 | -149.5 | 174.7 | 137.4 | 0 | 0 | 110.2 | R233 | R233-E236 PolarHBondContact O-N 3.04Š|
| 237 | P | 57.9 | Low | 49.4 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 144.5 | -180 | 26.2 | -33 | 0 | 0 | 0 | 109.9 | V239 | P237-V239 PolarHBondContact O-N 2.95Å; P237-V239 VanDerWaalsContact O-N 3.16Å |
| 238 | P | 56.3 | Low | 49.4 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 123.8 | -176.7 | 24.5 | -32.2 | 0 | 0 | 0 | 109.9 | ||
| 239 | V | 66 | Low | 49.2 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 125.4 | 171 | 177.7 | 0 | 0 | 0 | 0 | 107.8 | P237 Q241 | P237-V239 PolarHBondContact O-N 2.95Å; P237-V239 VanDerWaalsContact O-N 3.16Å; V239-Q241 PolarHBondContact O-N 3.33Å; V239-Q241 VanDerWaalsContact O-N 3.11Å |
| 240 | P | 50.4 | Low | 49.3 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.2 | 177.5 | -11.7 | 24.6 | 0 | 0 | 0 | 108.3 | S242 | P240-S242 PolarHBondContact O-N 3.49Š|
| 241 | Q | 52.1 | Low | 48.8 | Very low | 195 Ų | 195 | 139 Ų | 139 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | trans | -66.9 | 99.5 | 170.7 | -70.1 | -177.2 | -5 | 0 | 0 | 108 | V239 L243 | V239-Q241 PolarHBondContact O-N 3.33Å; V239-Q241 VanDerWaalsContact O-N 3.11Å; Q241-L243 PolarHBondContact O-N 3.17Å | ||
| 242 | S | 50.1 | Low | 48.8 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -67.5 | 121 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | P240 | P240-S242 PolarHBondContact O-N 3.49Š| ||
| 243 | L | 54.2 | Low | 48.7 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -45.3 | 151.6 | 174.5 | -77.3 | 142.7 | 0 | 0 | 0 | 113.8 | Q241 Q245 | Q241-L243 PolarHBondContact O-N 3.17Å; L243-Q245 PolarHBondContact O-N 3.48Å | ||
| 244 | P | 40.1 | Very low | 48 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -75 | 111.7 | -178.5 | 31.7 | -30 | 0 | 0 | 0 | 108.9 | S246 | P244-S246 PolarHBondContact O-N 3.49Š| ||
| 245 | Q | 50 | Low | 47.5 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -94.2 | 95 | 163.1 | -68.4 | -162.6 | -5.4 | 0 | 0 | 108.5 | L243 | L243-Q245 PolarHBondContact O-N 3.48Š| ||
| 246 | S | 40.3 | Very low | 46.9 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | -62.9 | 154.4 | 155.2 | 58.6 | 0 | 0 | 0 | 0 | 109.3 | P244 | P244-S246 PolarHBondContact O-N 3.49Š| ||
| 247 | T | 46 | Very low | 46.8 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 84.9 | 103 | 158.8 | -15.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 248 | V | 49 | Very low | 45.9 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | 145.1 | 101.1 | 116.6 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 249 | C | 35.1 | Very low | 45.3 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -58 | 133.3 | 155.6 | -61.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 250 | R | 40.1 | Very low | 44.3 | Very low | 238 Ų | 238 | 137.9 Ų | 137.9 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | 170.9 | 122.7 | 120.4 | -97.8 | 168.5 | 163.8 | 162.3 | -4.4 | 111.7 | |||||
| 251 | A | 37.3 | Very low | 43.8 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 51.3 | 131 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 252 | L | 47 | Very low | 43.3 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 151.9 | 84.7 | 136.8 | -78 | 161 | 0 | 0 | 0 | 107.1 | ||||
| 253 | T | 40.6 | Very low | 43.3 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | 57.9 | 113.9 | 100.4 | 58.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 254 | C | 36.2 | Very low | 42.8 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 86% | 0.858 | 80% | 0.802 | S | S | * | * | trans | -44.8 | 131 | 167.7 | -174.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 255 | T | 44.4 | Very low | 42.8 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -164.8 | 126 | 144.7 | 36.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 256 | S | 42.7 | Very low | 42.8 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | 21.6 | 141.7 | 156.8 | 69.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 257 | I | 48.1 | Very low | 43.3 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | 175.3 | 122.4 | 111 | -85.4 | 150.8 | 0 | 0 | 0 | 109.1 | |||||
| 258 | D | 37.3 | Very low | 43.5 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -58.2 | 123.7 | 161.9 | -68.8 | -61.2 | 0 | 0 | 0 | 111 | ||||
| 259 | A | 44.5 | Very low | 43.2 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -175.5 | 134.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 260 | L | 45.3 | Very low | 43.8 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | 128.6 | 64.7 | 168.5 | -71.6 | 171.3 | 0 | 0 | 0 | 108.5 | ||||
| 261 | C | 40 | Very low | 44.4 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | 55.8 | 98.9 | 61.5 | -111.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 262 | L | 40.8 | Very low | 45.5 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | 64.3 | 103.2 | 128.9 | -69.6 | 163.4 | 0 | 0 | 0 | 120.2 | |||||
| 263 | S | 49.6 | Very low | 45.9 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 174.7 | 125.7 | 130.6 | 30.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 264 | R | 44.3 | Very low | 47.3 | Very low | 244 Ų | 244 | 137.3 Ų | 137.3 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | -175.7 | 112.2 | 59.6 | -155.1 | 173 | -167.4 | -154 | 2.1 | 109.4 | |||||
| 265 | T | 40 | Very low | 47.9 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -89.6 | 128.2 | 157.9 | 30.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 266 | Q | 50.8 | Low | 48.6 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -166.9 | 114.1 | 143.5 | -83.8 | -144.5 | -5.5 | 0 | 0 | 109.2 | ||||
| 267 | V | 50.6 | Low | 48.7 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | 95.6 | 111.1 | 99.3 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 268 | N | 49.4 | Very low | 49.5 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | -171.7 | 116.5 | 114.7 | -110.6 | -31.1 | 0 | 0 | 0 | 112.3 | |||||
| 269 | P | 42.4 | Very low | 50.4 | Low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -99 | 165.7 | 155.3 | 35.7 | -24.7 | 0 | 0 | 0 | 110.8 | ||||
| 270 | S | 48.1 | Very low | 51 | Low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 85% | 0.846 | S | S | * | * | trans | 87.8 | 105.7 | 168.9 | -166.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 271 | E | 52.2 | Low | 51.3 | Low | 194 Ų | 194 | 134.8 Ų | 134.8 | 91% | 0.907 | 84% | 0.843 | S | S | * | * | -164.8 | 132.9 | 108.6 | -129.8 | 161.1 | 119.1 | 0 | 0 | 111.3 | |||||
| 272 | A | 60.9 | Low | 51.9 | Low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 172.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 273 | P | 55.7 | Low | 52.5 | Low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 166.9 | -159.4 | 38.6 | -34.1 | 0 | 0 | 0 | 113.5 | ||
| 274 | P | 69.5 | Low | 52.6 | Low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 128.6 | 157.1 | 33.3 | -24.5 | 0 | 0 | 0 | 111.7 | ||
| 275 | A | 48.6 | Very low | 53.2 | Low | 96 Ų | 96 | 129 Ų | 129 | 79% | 0.793 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 129.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 276 | T | 59.8 | Low | 54 | Low | 136 Ų | 136 | 128.6 Ų | 128.6 | 83% | 0.834 | 85% | 0.848 | S | S | * | * | trans | -175.1 | 114.8 | 145.6 | 20.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 277 | S | 45.8 | Very low | 54.3 | Low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 85% | 0.848 | S | S | * | * | trans | 44.7 | 112.4 | 131.8 | 175.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 278 | V | 63.1 | Low | 54.5 | Low | 144 Ų | 144 | 126.5 Ų | 126.5 | 87% | 0.873 | 86% | 0.864 | S | S | * | * | trans | -145.2 | 120.8 | 138.7 | -178 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 279 | A | 56.4 | Low | 55 | Low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 87% | 0.867 | S | S | * | * | trans | 10.7 | 131.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 280 | G | 57.3 | Low | 56.1 | Low | 155 Ų | 155 | 125.3 Ų | 125.3 | 100% | 1.598 | 88% | 0.881 | S | S | * | * | trans | 167.6 | 0 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 280 of 280 residues in 148.5 ms
(Link to these results)